 vasp.4.6.27 26Jun05 complex 
 executed on             LinuxIFC date 2012.08.21  16:52:34
 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_par                            
  positions in direct lattice
  velocities in cartesian coordinates
 


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 ion  position               nearest neighbor table
   1  0.433  0.567  0.616-   3 1.55   2 1.55  41 2.40  17 2.40
   2  0.391  0.609  0.679-   1 1.55
   3  0.475  0.525  0.679-   1 1.55
   4  0.000  1.000  0.498-  53 1.42  29 1.42  33 1.43
   5  1.000  0.200  0.498-  29 1.42  49 1.42  30 1.43
   6  1.000  0.400  0.499-  50 1.42  31 1.43  30 1.43
   7  1.000  0.600  0.499-  31 1.42  51 1.42  32 1.43
   8  0.000  0.800  0.499-  52 1.42  33 1.43  32 1.43
   9  0.200  1.000  0.499-  34 1.42  33 1.43  38 1.43
  10  0.200  0.200  0.499-  35 1.42  29 1.43  34 1.43
  11  0.199  0.399  0.499-  30 1.42  35 1.42  36 1.43
  12  0.200  0.600  0.500-  31 1.42  36 1.42  37 1.43
  13  0.200  0.800  0.499-  37 1.43  38 1.43  32 1.43
  14  0.400  0.000  0.499-  43 1.42  39 1.42  38 1.43
  15  0.400  0.200  0.499-  40 1.42  39 1.42  34 1.43
  16  0.400  0.399  0.501-  40 1.42  35 1.43  41 1.43
  17  0.400  0.600  0.501-  42 1.43  36 1.43  41 1.44   1 2.40
  18  0.400  0.800  0.500-  43 1.42  42 1.42  37 1.43
  19  0.600  0.000  0.499-  44 1.42  43 1.43  48 1.43
  20  0.600  0.200  0.499-  39 1.43  45 1.43  44 1.43
  21  0.600  0.400  0.500-  45 1.43  46 1.43  40 1.43
  22  0.601  0.600  0.501-  46 1.42  47 1.43  41 1.43
  23  0.601  0.801  0.499-  48 1.42  47 1.42  42 1.43
  24  0.800  0.000  0.498-  53 1.42  49 1.42  48 1.43
  25  0.800  0.200  0.499-  44 1.43  50 1.43  49 1.43
  26  0.800  0.400  0.499-  51 1.43  45 1.43  50 1.43
  27  0.800  0.600  0.499-  46 1.42  51 1.42  52 1.43
  28  0.800  0.800  0.499-  47 1.42  53 1.43  52 1.43
  29  0.067  0.133  0.498-   5 1.42   4 1.42  10 1.43
  30  0.067  0.333  0.499-  11 1.42   5 1.43   6 1.43
  31  0.066  0.533  0.499-  12 1.42   7 1.42   6 1.43
  32  0.067  0.733  0.499-   7 1.43  13 1.43   8 1.43
  33  0.067  0.933  0.499-   8 1.43   9 1.43   4 1.43
  34  0.267  0.133  0.499-   9 1.42  15 1.43  10 1.43
  35  0.266  0.333  0.499-  10 1.42  11 1.42  16 1.43
  36  0.266  0.533  0.501-  12 1.42  11 1.43  17 1.43
  37  0.267  0.733  0.500-  13 1.43  12 1.43  18 1.43
  38  0.267  0.933  0.499-  14 1.43  13 1.43   9 1.43
  39  0.467  0.133  0.499-  15 1.42  14 1.42  20 1.43
  40  0.467  0.333  0.500-  15 1.42  16 1.42  21 1.43
  41  0.467  0.533  0.501-  16 1.43  22 1.43  17 1.44   1 2.40
  42  0.467  0.734  0.501-  18 1.42  23 1.43  17 1.43
  43  0.467  0.934  0.499-  18 1.42  14 1.42  19 1.43
  44  0.667  0.133  0.499-  19 1.42  25 1.43  20 1.43
  45  0.667  0.333  0.499-  21 1.43  26 1.43  20 1.43
  46  0.667  0.533  0.500-  27 1.42  22 1.42  21 1.43
  47  0.667  0.734  0.499-  28 1.42  23 1.42  22 1.43
  48  0.667  0.933  0.499-  23 1.42  24 1.43  19 1.43
  49  0.867  0.133  0.498-   5 1.42  24 1.42  25 1.43
  50  0.867  0.333  0.499-   6 1.42  25 1.43  26 1.43
  51  0.867  0.533  0.499-  27 1.42   7 1.42  26 1.43
  52  0.867  0.733  0.499-   8 1.42  27 1.43  28 1.43
  53  0.867  0.933  0.498-  24 1.42   4 1.42  28 1.43
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =    12.3479412824
 B/A-ratio  =     1.7317100151
 C/A-ratio  =     1.6182891692
  
  Lattice vectors:
  
 A1 = (  12.3461192938,   0.0010559519,   0.0000000000)
 A2 = (  -6.1721518077,  10.6925767047,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  19.9825396397)
 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
  0.016199  0.009350  0.000000      4.000000
  0.032397  0.018701  0.000000      4.000000
  0.016197  0.028054  0.000000      2.000000
  0.032396  0.037405  0.000000      4.000000
 -0.032399  0.000003  0.000000      4.000000
 -0.016200  0.009353  0.000000      2.000000
  0.032394  0.056108  0.000000      2.000000
 -0.032400  0.018706  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  18.85, 18.85, 18.64 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  146
 SYSTEM =  g55pt                                   
 POSCAR =  g55ptB_b_par                            

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

 Electronic Relaxation 1
   ENCUT  =  500.0 eV  36.75 Ry    6.06 a.u.  22.51 22.51 36.43*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
    12.346119294  0.001055952  0.000000000     0.080993113  0.046752228  0.000000000
    -6.172151808 10.692576705  0.000000000    -0.000007999  0.093518210  0.000000000
     0.000000000  0.000000000 19.982539640     0.000000000  0.000000000  0.050043689

  length of vectors
    12.346119339 12.346119006 19.982539640     0.093518208  0.093518210  0.050043689


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.354522621 -0.005764358  0.000000000     0.080963852  0.046794952  0.000000000
    -6.182260035 10.696444034  0.000000000     0.000043632  0.093514231  0.000000000
     0.000000000  0.000000000 19.968098362     0.000000000  0.000000000  0.050079882

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.01619862  0.00935045  0.00000000       0.160
   0.03239725  0.01870089  0.00000000       0.160
   0.01619702  0.02805409  0.00000000       0.080
   0.03239565  0.03740453  0.00000000       0.160
  -0.03239884  0.00000275  0.00000000       0.160
  -0.01620022  0.00935320  0.00000000       0.080
   0.03239405  0.05610818  0.00000000       0.080
  -0.03240044  0.01870639  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  0.61604091
   0.39136975  0.60863033  0.67907384
   0.47529692  0.52470305  0.67907384
   0.00000195  0.99999805  0.49833101
   0.99990099  0.19985303  0.49825930
   0.99989575  0.39998202  0.49891788
   0.99996331  0.60001102  0.49909185
   0.00001661  0.80000453  0.49883049
   0.19999549  0.99998339  0.49883049
   0.19986603  0.19984571  0.49854826
   0.19947994  0.39945037  0.49911456
   0.19969475  0.60005335  0.49996062
   0.19997965  0.80002036  0.49918011
   0.39998901  0.00003669  0.49909185
   0.39994021  0.19981872  0.49930468
   0.39965158  0.39921156  0.50083838
   0.39968675  0.60031328  0.50124907
   0.39994668  0.80030526  0.49996062
   0.60001801  0.00010425  0.49891788
   0.59997631  0.20000758  0.49906366
   0.60003208  0.39996795  0.49964147
   0.60078847  0.60034845  0.50083838
   0.60054966  0.80052008  0.49911456
   0.80014699  0.00009901  0.49825930
   0.79998940  0.20001062  0.49862509
   0.79999243  0.40002372  0.49906366
   0.80018130  0.60005982  0.49930468
   0.80015430  0.80013399  0.49854826
   0.06651969  0.13323433  0.49825930
   0.06651238  0.33319937  0.49854826
   0.06648539  0.53327357  0.49930468
   0.06667425  0.73330964  0.49906366
   0.06667728  0.93332272  0.49862509
   0.26664869  0.13322909  0.49891788
   0.26611704  0.33281328  0.49911456
   0.26587823  0.53298493  0.50083838
   0.26663462  0.73336541  0.49964147
   0.26669039  0.93332576  0.49906366
   0.46667767  0.13329665  0.49909185
   0.46671999  0.33302809  0.49996062
   0.46697993  0.53302010  0.50124907
   0.46701510  0.73412180  0.50083838
   0.46672646  0.93351462  0.49930468
   0.66667120  0.13334995  0.49883049
   0.66668704  0.33331299  0.49918011
   0.66697194  0.53328004  0.49996062
   0.66718675  0.73388299  0.49911456
   0.66680066  0.93348763  0.49854826
   0.86666472  0.13333529  0.49833101
   0.86665007  0.33332883  0.49883049
   0.86670336  0.53332236  0.49909185
   0.86677093  0.73335134  0.49891788
   0.86676568  0.93348031  0.49825930
 
 position of ions in cartesian coordinates  (Angst):
   1.85243223  6.05958465 12.31006184
   1.07533881  6.50823981 13.56961989
   2.62952565  5.61092950 13.56961989
  -6.17211569 10.69255585  9.95791922
  11.11137373  2.13799966  9.95648619
   9.87608248  4.27789424  9.96964639
   8.64230720  6.41671980  9.97312271
  -4.93754434  8.55410981  9.96790010
  -3.70288117 10.69261029  9.96790010
   1.23409174  2.13707665  9.96226032
  -0.00266522  4.27136435  9.97357644
  -1.23816512  6.41632729  9.99048288
  -2.46887446  8.55449025  9.97488629
   4.93808555  0.00081467  9.97312271
   3.70439813  2.13699929  9.97737556
   2.47015171  4.26902221 10.00802281
   1.22935553  6.41931788 10.01622938
  -0.00181610  8.55774774  9.99048288
   7.40725052  0.00174830  9.96964639
   6.17290198  2.13922997  9.97255943
   4.93940479  4.27732156  9.98410539
   3.71196436  6.41990629 10.00802281
   2.47352631  8.56025649  9.97357644
   9.87809909  0.00190355  9.95648619
   8.64226864  2.13947362  9.96379553
   7.40779490  4.27812902  9.97255943
   6.17547347  6.41703056  9.97737556
   4.94025205  8.55633897  9.96226032
  -0.00108246  1.42468857  9.95648619
  -1.23538732  3.56283002  9.96226032
  -2.47060892  5.70213875  9.97737556
  -3.70293017  7.84103997  9.97255943
  -4.93740382  9.97969521  9.96379553
   2.46976639  1.42484383  9.96964639
   1.23133870  3.55891249  9.97357644
  -0.00709954  5.69926302 10.00802281
  -1.23453978  7.84184743  9.98410539
  -2.46803688  9.97993886  9.97255943
   4.93893100  1.42577745  9.97312271
   3.70668074  3.56142124  9.99048288
   2.47550892  5.69985143 10.01622938
   1.23471293  7.85014678 10.00802281
   0.00046661  9.98216954  9.97737556
   7.40774608  1.42655854  9.96790010
   6.17373929  3.56467874  9.97488629
   4.94302976  5.70284202  9.99048288
   3.70753005  7.84780464  9.97357644
   2.47077318  9.98209218  9.96226032
   9.87698042  1.42661298  9.95791922
   8.64240898  3.56505918  9.96790010
   7.40867655  5.70350546  9.97312271
   6.17490146  7.84233070  9.96964639
   4.93961030  9.98222512  9.95648619
 


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


 k-point  1 :  0.00000.00000.0000  plane waves:  66985
 k-point  2 :  0.20000.00000.0000  plane waves:  67015
 k-point  3 :  0.40000.00000.0000  plane waves:  66967
 k-point  4 :  0.20000.20000.0000  plane waves:  66943
 k-point  5 :  0.40000.20000.0000  plane waves:  66950
 k-point  6 :  -.40000.20000.0000  plane waves:  66945
 k-point  7 :  -.20000.20000.0000  plane waves:  67017
 k-point  8 :  0.40000.40000.0000  plane waves:  66950
 k-point  9 :  -.40000.40000.0000  plane waves:  66969

 maximum number of plane-waves:  67017
 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 3086.03 MBYTES are necessary
 For predicting wavefunctions  775.99 MBYTES are necessary
Broyden mixing: mesh for mixing (old mesh)
   NGX = 45   NGY = 45   NGZ = 73
  (NGX  =140   NGY  =140   NGZ  =224)
 gives a total of 147825 points
 charge density for first step will be calculated from the start-wavefunctions


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


 Maximum index for non-local projection operator         5223
 Maximum index for augmentation-charges        12274 (set IRDMAX)


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


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

    FEWALD:  VPU time    0.01: CPU time    0.01


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


    POTLOK:  VPU time    9.06: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1908.38: CPU time  984.14
 BZINTS: Fermi energy: -3.116136;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  118.60: CPU time   59.79
    MIXING:  VPU time    0.15: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 2036.59: CPU time 1053.50

 eigenvalue-minimisations  :  6272
 total energy-change (2. order) :-0.4705674E+03  (-0.3743834E+02)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9201020 magnetization   -0.0000042

 Broyden mixing:
  rms(total) = 0.43570E-01    rms(broyden)= 0.43541E-01
  rms(prec ) = 0.46789E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34082.11570273
  -1/2 Hartree   DENC   =    -40971.43712358
  -V(xc)+E(xc)   XCENC  =       726.48820761
  PAW double counting   =      4076.51322529    -4115.20952765
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.47771441
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.56737641 eV

  energy without entropy =     -470.56737641  energy(sigma->0) =     -470.56737641


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




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


    POTLOK:  VPU time    9.11: CPU time    9.11
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2004.55: CPU time 1034.41
 BZINTS: Fermi energy: -3.163696;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  117.17: CPU time   59.20
    MIXING:  VPU time    0.17: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 2131.40: CPU time 1103.26

 eigenvalue-minimisations  :  6832
 total energy-change (2. order) :-0.1125092E+01  (-0.1128346E+01)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9504694 magnetization   -0.0000010

 Broyden mixing:
  rms(total) = 0.28558E-01    rms(broyden)= 0.28535E-01
  rms(prec ) = 0.30273E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7163
  0.7163

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34082.11570273
  -1/2 Hartree   DENC   =    -40968.65613532
  -V(xc)+E(xc)   XCENC  =       726.37135272
  PAW double counting   =      4077.66952304    -4116.15369133
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2478.47907348
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.69246804 eV

  energy without entropy =     -471.69246804  energy(sigma->0) =     -471.69246804


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




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


    POTLOK:  VPU time    9.12: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2390.03: CPU time 1233.44
 BZINTS: Fermi energy: -3.169866;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  118.02: CPU time   59.74
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 2517.72: CPU time 1302.85

 eigenvalue-minimisations  :  8472
 total energy-change (2. order) :-0.3487878E-01  (-0.3622338E-01)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9592741 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.19013E-01    rms(broyden)= 0.19010E-01
  rms(prec ) = 0.20180E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2918
  1.2918  1.2918

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34082.11570273
  -1/2 Hartree   DENC   =    -40969.72912349
  -V(xc)+E(xc)   XCENC  =       726.42882112
  PAW double counting   =      4082.57488356    -4121.01931731
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2477.53816702
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72734682 eV

  energy without entropy =     -471.72734682  energy(sigma->0) =     -471.72734682


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




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


    POTLOK:  VPU time    9.13: CPU time    9.13
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1997.29: CPU time 1032.14
 BZINTS: Fermi energy: -3.221802;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.31: CPU time   58.81
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2123.31: CPU time 1100.64

 eigenvalue-minimisations  :  6736
 total energy-change (2. order) : 0.3287261E-03  (-0.7722930E-03)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9575644 magnetization    0.0000006

 Broyden mixing:
  rms(total) = 0.55403E-02    rms(broyden)= 0.55399E-02
  rms(prec ) = 0.58192E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3793
  2.2429  0.9475  0.9475

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34082.11570273
  -1/2 Hartree   DENC   =    -40971.83305223
  -V(xc)+E(xc)   XCENC  =       726.52480732
  PAW double counting   =      4090.29828754    -4128.69182045
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.58079661
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72701809 eV

  energy without entropy =     -471.72701809  energy(sigma->0) =     -471.72701809


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




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


    POTLOK:  VPU time    9.06: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2066.12: CPU time 1064.58
 BZINTS: Fermi energy: -3.148243;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 2075.58: CPU time 1074.01

 eigenvalue-minimisations  :  7032
 total energy-change (2. order) : 0.7174593E-05  (-0.6872743E-04)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9575644 magnetization    0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34082.11570273
  -1/2 Hartree   DENC   =    -40972.57945218
  -V(xc)+E(xc)   XCENC  =       726.55824185
  PAW double counting   =      4093.36836498    -4131.72709875
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.90262315
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72701092 eV

  energy without entropy =     -471.72701092  energy(sigma->0) =     -471.72701092


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




 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 -58.2170       2 -39.5392       3 -39.5392       4 -58.3164       5 -58.3192
       6 -58.3219       7 -58.3154       8 -58.3168       9 -58.3168      10 -58.3228
      11 -58.3879      12 -58.3517      13 -58.3248      14 -58.3154      15 -58.3259
      16 -58.5405      17 -58.7253      18 -58.3517      19 -58.3219      20 -58.3208
      21 -58.3576      22 -58.5405      23 -58.3879      24 -58.3192      25 -58.3251
      26 -58.3208      27 -58.3259      28 -58.3228      29 -58.3191      30 -58.3227
      31 -58.3257      32 -58.3207      33 -58.3250      34 -58.3218      35 -58.3878
      36 -58.5404      37 -58.3575      38 -58.3207      39 -58.3153      40 -58.3516
      41 -58.7252      42 -58.5404      43 -58.3258      44 -58.3167      45 -58.3247
      46 -58.3516      47 -58.3879      48 -58.3227      49 -58.3163      50 -58.3167
      51 -58.3153      52 -58.3219      53 -58.3191
 
 
 
 E-fermi :  -3.1482     XC(G=0):  -2.3668     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     -22.4260      1.00000
      2     -21.6018      1.00000
      3     -21.4813      1.00000
      4     -21.4725      1.00000
      5     -21.4411      1.00000
      6     -21.4405      1.00000
      7     -21.4302      1.00000
      8     -19.7069      1.00000
      9     -19.6523      1.00000
     10     -19.6294      1.00000
     11     -19.6188      1.00000
     12     -19.6138      1.00000
     13     -19.6119      1.00000
     14     -18.7901      1.00000
     15     -18.7544      1.00000
     16     -18.7347      1.00000
     17     -18.7255      1.00000
     18     -18.7182      1.00000
     19     -18.7138      1.00000
     20     -16.6346      1.00000
     21     -16.6090      1.00000
     22     -16.5855      1.00000
     23     -16.5819      1.00000
     24     -16.5548      1.00000
     25     -16.5533      1.00000
     26     -15.6137      1.00000
     27     -15.6031      1.00000
     28     -15.5990      1.00000
     29     -15.5650      1.00000
     30     -15.5636      1.00000
     31     -15.5610      1.00000
     32     -14.2595      1.00000
     33     -14.2502      1.00000
     34     -14.2415      1.00000
     35     -14.2367      1.00000
     36     -14.2222      1.00000
     37     -14.2199      1.00000
     38     -11.9058      1.00000
     39     -11.8795      1.00000
     40     -11.8693      1.00000
     41     -11.8652      1.00000
     42     -11.8453      1.00000
     43     -11.8449      1.00000
     44     -11.7710      1.00000
     45     -11.7691      1.00000
     46     -11.7352      1.00000
     47     -11.7291      1.00000
     48     -11.7263      1.00000
     49     -11.7225      1.00000
     50     -10.6741      1.00000
     51     -10.3881      1.00000
     52     -10.3845      1.00000
     53     -10.3770      1.00000
     54     -10.3683      1.00000
     55     -10.3567      1.00000
     56     -10.3536      1.00000
     57      -9.9021      1.00000
     58      -9.4497      1.00000
     59      -9.4055      1.00000
     60      -9.3627      1.00000
     61      -9.3620      1.00000
     62      -9.3542      1.00000
     63      -9.1416      1.00000
     64      -9.1236      1.00000
     65      -9.1209      1.00000
     66      -9.0860      1.00000
     67      -9.0717      1.00000
     68      -9.0710      1.00000
     69      -9.0701      1.00000
     70      -9.0658      1.00000
     71      -9.0650      1.00000
     72      -9.0393      1.00000
     73      -9.0291      1.00000
     74      -9.0271      1.00000
     75      -8.1311      1.00000
     76      -7.7423      1.00000
     77      -7.4705      1.00000
     78      -7.4664      1.00000
     79      -7.4544      1.00000
     80      -7.4356      1.00000
     81      -7.4248      1.00000
     82      -7.4070      1.00000
     83      -7.3120      1.00000
     84      -7.2712      1.00000
     85      -7.2579      1.00000
     86      -7.2490      1.00000
     87      -7.1526      1.00000
     88      -7.0505      1.00000
     89      -6.4470      1.00000
     90      -6.4155      1.00000
     91      -6.4003      1.00000
     92      -6.3640      1.00000
     93      -6.3538      1.00000
     94      -6.3420      1.00000
     95      -5.9611      1.00000
     96      -5.9574      1.00000
     97      -4.8045      1.00000
     98      -4.5435      1.00000
     99      -4.4821      1.00000
    100      -4.4738      1.00000
    101      -4.3832      1.00000
    102      -4.3826      1.00000
    103      -4.2689      1.00000
    104      -4.1881      1.00000
    105      -3.7410      1.00000
    106      -3.4767      1.00000
    107      -1.8637      0.00000
    108      -1.6726      0.00000
    109      -1.6247      0.00000
    110      -1.5926      0.00000
    111      -1.5774      0.00000
    112      -1.5768      0.00000
    113      -0.4324      0.00000
    114       0.1434      0.00000
    115       0.1897      0.00000
    116       0.2533      0.00000
    117       0.2662      0.00000
    118       0.2696      0.00000
    119       0.4736      0.00000
    120       0.5375      0.00000
    121       1.2396      0.00000
    122       1.2860      0.00000
    123       1.5067      0.00000
    124       1.7585      0.00000
    125       1.7588      0.00000
    126       1.7616      0.00000
    127       1.7745      0.00000
    128       1.8244      0.00000
    129       1.9556      0.00000
    130       1.9657      0.00000
    131       1.9729      0.00000
    132       1.9872      0.00000
    133       1.9940      0.00000
    134       2.0652      0.00000
    135       2.2479      0.00000
    136       2.3348      0.00000
    137       2.5830      0.00000
    138       2.5853      0.00000
    139       2.5969      0.00000
    140       2.6975      0.00000
    141       2.9402      0.00000
    142       3.0219      0.00000
    143       3.0348      0.00000
    144       3.0470      0.00000
    145       3.0491      0.00000
    146       3.0494      0.00000
    147       3.0775      0.00000
    148       3.2696      0.00000
    149       3.4047      0.00000
    150       3.4963      0.00000
    151       3.8243      0.00000
    152       3.9207      0.00000
    153       3.9343      0.00000
    154       3.9426      0.00000
    155       3.9620      0.00000
    156       3.9996      0.00000
    157       4.1643      0.00000
    158       4.2523      0.00000
    159       4.2640      0.00000
    160       4.2750      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3893      1.00000
      2     -21.8302      1.00000
      3     -21.6381      1.00000
      4     -21.6105      1.00000
      5     -21.2744      1.00000
      6     -21.2355      1.00000
      7     -21.0571      1.00000
      8     -20.1675      1.00000
      9     -20.1298      1.00000
     10     -19.6087      1.00000
     11     -19.5974      1.00000
     12     -19.4175      1.00000
     13     -19.0895      1.00000
     14     -19.0603      1.00000
     15     -19.0493      1.00000
     16     -19.0415      1.00000
     17     -18.3610      1.00000
     18     -18.3523      1.00000
     19     -18.0194      1.00000
     20     -17.0692      1.00000
     21     -17.0308      1.00000
     22     -16.9446      1.00000
     23     -16.9405      1.00000
     24     -16.4681      1.00000
     25     -16.4638      1.00000
     26     -15.6133      1.00000
     27     -15.6079      1.00000
     28     -15.2527      1.00000
     29     -15.2437      1.00000
     30     -15.1853      1.00000
     31     -15.0988      1.00000
     32     -15.0717      1.00000
     33     -14.6988      1.00000
     34     -14.6964      1.00000
     35     -13.7270      1.00000
     36     -13.7237      1.00000
     37     -13.2366      1.00000
     38     -12.6150      1.00000
     39     -12.5849      1.00000
     40     -12.4550      1.00000
     41     -12.4507      1.00000
     42     -12.1100      1.00000
     43     -12.1045      1.00000
     44     -11.7168      1.00000
     45     -11.6862      1.00000
     46     -11.2354      1.00000
     47     -11.2270      1.00000
     48     -11.0184      1.00000
     49     -11.0102      1.00000
     50     -10.9262      1.00000
     51     -10.9054      1.00000
     52     -10.6288      1.00000
     53     -10.1560      1.00000
     54     -10.1513      1.00000
     55     -10.0933      1.00000
     56      -9.9971      1.00000
     57      -9.7024      1.00000
     58      -9.6961      1.00000
     59      -9.6559      1.00000
     60      -9.5924      1.00000
     61      -9.5763      1.00000
     62      -9.5593      1.00000
     63      -9.3081      1.00000
     64      -9.3038      1.00000
     65      -9.2738      1.00000
     66      -9.2363      1.00000
     67      -9.1367      1.00000
     68      -9.1170      1.00000
     69      -9.1112      1.00000
     70      -8.9399      1.00000
     71      -8.8720      1.00000
     72      -8.6044      1.00000
     73      -8.5915      1.00000
     74      -8.2367      1.00000
     75      -8.1021      1.00000
     76      -7.9121      1.00000
     77      -7.8637      1.00000
     78      -7.7731      1.00000
     79      -7.7574      1.00000
     80      -7.6932      1.00000
     81      -7.5596      1.00000
     82      -7.3406      1.00000
     83      -7.3235      1.00000
     84      -7.2051      1.00000
     85      -7.1240      1.00000
     86      -7.0330      1.00000
     87      -7.0122      1.00000
     88      -6.7047      1.00000
     89      -6.6785      1.00000
     90      -6.6416      1.00000
     91      -6.5990      1.00000
     92      -6.1179      1.00000
     93      -6.0627      1.00000
     94      -6.0310      1.00000
     95      -6.0121      1.00000
     96      -5.7834      1.00000
     97      -4.9731      1.00000
     98      -4.8324      1.00000
     99      -4.7473      1.00000
    100      -4.6800      1.00000
    101      -4.4687      1.00000
    102      -4.2037      1.00000
    103      -4.1726      1.00000
    104      -4.1288      1.00000
    105      -3.7314      1.00000
    106      -3.4868      1.00000
    107      -1.8718      0.00000
    108      -1.8105      0.00000
    109      -1.5258      0.00000
    110      -1.3785      0.00000
    111      -1.3234      0.00000
    112      -1.2897      0.00000
    113      -0.7221      0.00000
    114      -0.3786      0.00000
    115      -0.2514      0.00000
    116       0.0327      0.00000
    117       0.5467      0.00000
    118       0.6953      0.00000
    119       0.7437      0.00000
    120       1.0439      0.00000
    121       1.0973      0.00000
    122       1.1431      0.00000
    123       1.2239      0.00000
    124       1.3722      0.00000
    125       1.5077      0.00000
    126       1.5597      0.00000
    127       1.7056      0.00000
    128       1.7943      0.00000
    129       1.8519      0.00000
    130       1.8780      0.00000
    131       2.0751      0.00000
    132       2.1713      0.00000
    133       2.2247      0.00000
    134       2.2847      0.00000
    135       2.5033      0.00000
    136       2.5738      0.00000
    137       2.5999      0.00000
    138       2.7642      0.00000
    139       2.7825      0.00000
    140       2.8186      0.00000
    141       2.8308      0.00000
    142       2.8771      0.00000
    143       2.9203      0.00000
    144       3.0482      0.00000
    145       3.1442      0.00000
    146       3.2744      0.00000
    147       3.3482      0.00000
    148       3.4008      0.00000
    149       3.4589      0.00000
    150       3.5914      0.00000
    151       3.6244      0.00000
    152       3.6520      0.00000
    153       3.7004      0.00000
    154       3.8928      0.00000
    155       3.9277      0.00000
    156       3.9991      0.00000
    157       4.0412      0.00000
    158       4.2215      0.00000
    159       4.2381      0.00000
    160       4.2566      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2832      1.00000
      2     -22.0780      1.00000
      3     -21.7165      1.00000
      4     -21.6850      1.00000
      5     -20.9792      1.00000
      6     -20.9391      1.00000
      7     -20.6117      1.00000
      8     -20.5754      1.00000
      9     -20.5693      1.00000
     10     -20.0329      1.00000
     11     -19.5035      1.00000
     12     -19.4915      1.00000
     13     -19.3072      1.00000
     14     -19.3016      1.00000
     15     -18.4477      1.00000
     16     -18.4114      1.00000
     17     -17.9227      1.00000
     18     -17.9130      1.00000
     19     -17.7617      1.00000
     20     -17.7263      1.00000
     21     -17.4364      1.00000
     22     -17.4287      1.00000
     23     -17.3414      1.00000
     24     -16.4631      1.00000
     25     -16.4620      1.00000
     26     -15.9675      1.00000
     27     -15.4138      1.00000
     28     -15.4093      1.00000
     29     -15.0963      1.00000
     30     -15.0934      1.00000
     31     -14.8556      1.00000
     32     -14.8474      1.00000
     33     -14.2911      1.00000
     34     -14.2582      1.00000
     35     -13.4376      1.00000
     36     -13.4050      1.00000
     37     -13.1781      1.00000
     38     -13.1738      1.00000
     39     -12.9822      1.00000
     40     -12.9771      1.00000
     41     -12.6139      1.00000
     42     -12.6096      1.00000
     43     -12.1987      1.00000
     44     -11.5760      1.00000
     45     -11.5426      1.00000
     46     -11.3103      1.00000
     47     -11.2878      1.00000
     48     -11.1431      1.00000
     49     -10.6754      1.00000
     50     -10.6617      1.00000
     51     -10.5511      1.00000
     52     -10.3247      1.00000
     53     -10.3177      1.00000
     54     -10.1696      1.00000
     55     -10.1162      1.00000
     56     -10.1126      1.00000
     57      -9.7978      1.00000
     58      -9.7662      1.00000
     59      -9.7515      1.00000
     60      -9.7003      1.00000
     61      -9.6987      1.00000
     62      -9.6618      1.00000
     63      -9.3561      1.00000
     64      -9.3513      1.00000
     65      -9.3152      1.00000
     66      -9.0405      1.00000
     67      -8.9638      1.00000
     68      -8.9489      1.00000
     69      -8.7993      1.00000
     70      -8.5943      1.00000
     71      -8.5581      1.00000
     72      -8.3979      1.00000
     73      -8.3652      1.00000
     74      -8.3246      1.00000
     75      -8.3074      1.00000
     76      -8.2595      1.00000
     77      -8.2578      1.00000
     78      -8.2363      1.00000
     79      -7.9058      1.00000
     80      -7.6515      1.00000
     81      -7.5484      1.00000
     82      -7.3879      1.00000
     83      -7.3505      1.00000
     84      -7.2329      1.00000
     85      -7.0973      1.00000
     86      -7.0393      1.00000
     87      -6.9345      1.00000
     88      -6.8496      1.00000
     89      -6.6125      1.00000
     90      -6.5607      1.00000
     91      -6.2698      1.00000
     92      -6.0436      1.00000
     93      -5.9520      1.00000
     94      -5.6629      1.00000
     95      -5.6234      1.00000
     96      -5.4625      1.00000
     97      -5.3200      1.00000
     98      -5.2794      1.00000
     99      -5.2143      1.00000
    100      -5.1948      1.00000
    101      -4.5082      1.00000
    102      -4.2077      1.00000
    103      -4.0595      1.00000
    104      -3.9897      1.00000
    105      -3.6962      1.00000
    106      -3.4971      1.00000
    107      -1.9472      0.00000
    108      -1.8985      0.00000
    109      -1.3400      0.00000
    110      -1.0869      0.00000
    111      -1.0593      0.00000
    112      -0.8026      0.00000
    113      -0.6789      0.00000
    114      -0.6489      0.00000
    115      -0.6090      0.00000
    116      -0.1121      0.00000
    117       0.2135      0.00000
    118       0.3257      0.00000
    119       0.6840      0.00000
    120       0.8787      0.00000
    121       1.1221      0.00000
    122       1.1969      0.00000
    123       1.3187      0.00000
    124       1.4053      0.00000
    125       1.5512      0.00000
    126       1.5731      0.00000
    127       1.6695      0.00000
    128       1.8110      0.00000
    129       1.8525      0.00000
    130       2.0249      0.00000
    131       2.0907      0.00000
    132       2.2926      0.00000
    133       2.3466      0.00000
    134       2.3749      0.00000
    135       2.5319      0.00000
    136       2.6210      0.00000
    137       2.7131      0.00000
    138       2.7243      0.00000
    139       2.7894      0.00000
    140       2.8740      0.00000
    141       3.0350      0.00000
    142       3.0426      0.00000
    143       3.1515      0.00000
    144       3.2515      0.00000
    145       3.3374      0.00000
    146       3.3964      0.00000
    147       3.4186      0.00000
    148       3.5712      0.00000
    149       3.5768      0.00000
    150       3.5898      0.00000
    151       3.6477      0.00000
    152       3.7490      0.00000
    153       3.7640      0.00000
    154       3.7734      0.00000
    155       3.8521      0.00000
    156       3.9082      0.00000
    157       3.9596      0.00000
    158       4.0780      0.00000
    159       4.2126      0.00000
    160       4.2891      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3172      1.00000
      2     -21.9625      1.00000
      3     -21.8940      1.00000
      4     -21.3808      1.00000
      5     -21.3518      1.00000
      6     -20.8396      1.00000
      7     -20.7749      1.00000
      8     -20.6244      1.00000
      9     -20.0774      1.00000
     10     -20.0721      1.00000
     11     -19.7170      1.00000
     12     -19.6926      1.00000
     13     -18.9964      1.00000
     14     -18.9909      1.00000
     15     -18.6406      1.00000
     16     -18.6249      1.00000
     17     -18.4626      1.00000
     18     -17.6753      1.00000
     19     -17.6255      1.00000
     20     -17.6227      1.00000
     21     -17.5811      1.00000
     22     -17.1267      1.00000
     23     -17.1054      1.00000
     24     -16.9627      1.00000
     25     -16.0025      1.00000
     26     -15.9286      1.00000
     27     -15.5862      1.00000
     28     -15.5861      1.00000
     29     -15.2865      1.00000
     30     -14.8647      1.00000
     31     -14.8376      1.00000
     32     -14.5796      1.00000
     33     -14.5381      1.00000
     34     -14.1681      1.00000
     35     -14.1547      1.00000
     36     -13.1493      1.00000
     37     -13.1011      1.00000
     38     -13.0308      1.00000
     39     -13.0205      1.00000
     40     -12.7099      1.00000
     41     -12.7060      1.00000
     42     -12.3413      1.00000
     43     -12.3103      1.00000
     44     -11.6356      1.00000
     45     -11.6220      1.00000
     46     -11.5714      1.00000
     47     -10.9491      1.00000
     48     -10.9163      1.00000
     49     -10.6317      1.00000
     50     -10.6257      1.00000
     51     -10.5472      1.00000
     52     -10.4996      1.00000
     53     -10.4995      1.00000
     54     -10.4415      1.00000
     55     -10.3619      1.00000
     56     -10.0987      1.00000
     57      -9.9036      1.00000
     58      -9.6100      1.00000
     59      -9.5582      1.00000
     60      -9.4523      1.00000
     61      -9.4120      1.00000
     62      -9.4049      1.00000
     63      -9.3789      1.00000
     64      -9.3786      1.00000
     65      -9.2870      1.00000
     66      -9.1682      1.00000
     67      -9.1432      1.00000
     68      -9.1140      1.00000
     69      -8.8643      1.00000
     70      -8.8572      1.00000
     71      -8.8150      1.00000
     72      -8.5972      1.00000
     73      -8.4802      1.00000
     74      -8.1988      1.00000
     75      -8.1633      1.00000
     76      -8.0095      1.00000
     77      -7.9619      1.00000
     78      -7.8526      1.00000
     79      -7.8421      1.00000
     80      -7.7059      1.00000
     81      -7.6980      1.00000
     82      -7.6234      1.00000
     83      -7.4486      1.00000
     84      -7.3021      1.00000
     85      -7.2537      1.00000
     86      -6.9069      1.00000
     87      -6.8931      1.00000
     88      -6.5890      1.00000
     89      -6.5519      1.00000
     90      -6.4090      1.00000
     91      -6.2540      1.00000
     92      -6.2339      1.00000
     93      -6.2047      1.00000
     94      -6.0230      1.00000
     95      -5.5499      1.00000
     96      -5.4888      1.00000
     97      -5.3499      1.00000
     98      -5.2203      1.00000
     99      -4.9804      1.00000
    100      -4.7324      1.00000
    101      -4.6782      1.00000
    102      -4.3886      1.00000
    103      -4.2030      1.00000
    104      -3.8711      1.00000
    105      -3.5485      1.00000
    106      -3.5087      1.00000
    107      -2.2575      0.00000
    108      -1.4580      0.00000
    109      -1.3723      0.00000
    110      -1.2434      0.00000
    111      -1.0993      0.00000
    112      -0.9471      0.00000
    113      -0.8659      0.00000
    114      -0.8055      0.00000
    115      -0.1439      0.00000
    116       0.1092      0.00000
    117       0.2395      0.00000
    118       0.3750      0.00000
    119       0.6412      0.00000
    120       0.8325      0.00000
    121       0.9341      0.00000
    122       1.0571      0.00000
    123       1.2178      0.00000
    124       1.4398      0.00000
    125       1.5445      0.00000
    126       1.7637      0.00000
    127       1.7829      0.00000
    128       1.8535      0.00000
    129       1.9413      0.00000
    130       2.0237      0.00000
    131       2.1609      0.00000
    132       2.1726      0.00000
    133       2.3940      0.00000
    134       2.4117      0.00000
    135       2.5021      0.00000
    136       2.6020      0.00000
    137       2.6297      0.00000
    138       2.6766      0.00000
    139       2.7661      0.00000
    140       2.8314      0.00000
    141       2.9364      0.00000
    142       3.0674      0.00000
    143       3.1808      0.00000
    144       3.1873      0.00000
    145       3.2178      0.00000
    146       3.2973      0.00000
    147       3.3014      0.00000
    148       3.4544      0.00000
    149       3.4780      0.00000
    150       3.6682      0.00000
    151       3.6977      0.00000
    152       3.7072      0.00000
    153       3.8494      0.00000
    154       3.9042      0.00000
    155       3.9409      0.00000
    156       3.9719      0.00000
    157       4.0174      0.00000
    158       4.0355      0.00000
    159       4.0449      0.00000
    160       4.0549      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2097      1.00000
      2     -22.1179      1.00000
      3     -21.9570      1.00000
      4     -21.4044      1.00000
      5     -21.0497      1.00000
      6     -21.0141      1.00000
      7     -20.5006      1.00000
      8     -20.4615      1.00000
      9     -20.2951      1.00000
     10     -20.2761      1.00000
     11     -19.9574      1.00000
     12     -19.8923      1.00000
     13     -18.8823      1.00000
     14     -18.8143      1.00000
     15     -18.3528      1.00000
     16     -18.3072      1.00000
     17     -18.1534      1.00000
     18     -18.1364      1.00000
     19     -17.8269      1.00000
     20     -17.7899      1.00000
     21     -17.2522      1.00000
     22     -17.2422      1.00000
     23     -17.1653      1.00000
     24     -17.1334      1.00000
     25     -16.1107      1.00000
     26     -15.8852      1.00000
     27     -15.8706      1.00000
     28     -15.8347      1.00000
     29     -15.2370      1.00000
     30     -14.5552      1.00000
     31     -14.5276      1.00000
     32     -14.2807      1.00000
     33     -13.9648      1.00000
     34     -13.9572      1.00000
     35     -13.8212      1.00000
     36     -13.8055      1.00000
     37     -13.6148      1.00000
     38     -13.5715      1.00000
     39     -13.3702      1.00000
     40     -12.6350      1.00000
     41     -12.1811      1.00000
     42     -12.1338      1.00000
     43     -12.0717      1.00000
     44     -12.0201      1.00000
     45     -11.6707      1.00000
     46     -11.6575      1.00000
     47     -11.1392      1.00000
     48     -11.1191      1.00000
     49     -10.7943      1.00000
     50     -10.7314      1.00000
     51     -10.5260      1.00000
     52     -10.2103      1.00000
     53     -10.2055      1.00000
     54     -10.1648      1.00000
     55     -10.0188      1.00000
     56     -10.0045      1.00000
     57      -9.9911      1.00000
     58      -9.8023      1.00000
     59      -9.7986      1.00000
     60      -9.7634      1.00000
     61      -9.7586      1.00000
     62      -9.4545      1.00000
     63      -9.4167      1.00000
     64      -9.0799      1.00000
     65      -9.0736      1.00000
     66      -9.0419      1.00000
     67      -8.9555      1.00000
     68      -8.8772      1.00000
     69      -8.7133      1.00000
     70      -8.7009      1.00000
     71      -8.5659      1.00000
     72      -8.5431      1.00000
     73      -8.4988      1.00000
     74      -8.4643      1.00000
     75      -8.4533      1.00000
     76      -8.2599      1.00000
     77      -8.1256      1.00000
     78      -8.0435      1.00000
     79      -7.9171      1.00000
     80      -7.8629      1.00000
     81      -7.6158      1.00000
     82      -7.5491      1.00000
     83      -7.4910      1.00000
     84      -7.2689      1.00000
     85      -6.9967      1.00000
     86      -6.9250      1.00000
     87      -6.8841      1.00000
     88      -6.5326      1.00000
     89      -6.4878      1.00000
     90      -6.4616      1.00000
     91      -6.4109      1.00000
     92      -5.9836      1.00000
     93      -5.8977      1.00000
     94      -5.7849      1.00000
     95      -5.7604      1.00000
     96      -5.4315      1.00000
     97      -5.3295      1.00000
     98      -5.2307      1.00000
     99      -5.2181      1.00000
    100      -5.1894      1.00000
    101      -4.6922      1.00000
    102      -4.4223      1.00000
    103      -4.2094      1.00000
    104      -3.8345      1.00000
    105      -3.5278      1.00000
    106      -3.2760      1.00000
    107      -2.5327      0.00000
    108      -1.4592      0.00000
    109      -1.2681      0.00000
    110      -1.2047      0.00000
    111      -1.1738      0.00000
    112      -0.7224      0.00000
    113      -0.5054      0.00000
    114      -0.4142      0.00000
    115      -0.3407      0.00000
    116      -0.1486      0.00000
    117      -0.0049      0.00000
    118       0.1901      0.00000
    119       0.5588      0.00000
    120       0.6099      0.00000
    121       0.7857      0.00000
    122       0.8994      0.00000
    123       1.1194      0.00000
    124       1.4793      0.00000
    125       1.6385      0.00000
    126       1.8215      0.00000
    127       1.9130      0.00000
    128       2.0832      0.00000
    129       2.1009      0.00000
    130       2.1074      0.00000
    131       2.1696      0.00000
    132       2.2768      0.00000
    133       2.3054      0.00000
    134       2.4568      0.00000
    135       2.5580      0.00000
    136       2.6472      0.00000
    137       2.8391      0.00000
    138       2.8676      0.00000
    139       2.8845      0.00000
    140       2.9953      0.00000
    141       3.0235      0.00000
    142       3.1309      0.00000
    143       3.1534      0.00000
    144       3.2212      0.00000
    145       3.2668      0.00000
    146       3.2745      0.00000
    147       3.2927      0.00000
    148       3.3355      0.00000
    149       3.3942      0.00000
    150       3.4213      0.00000
    151       3.5098      0.00000
    152       3.6052      0.00000
    153       3.6718      0.00000
    154       3.6912      0.00000
    155       3.7621      0.00000
    156       3.8835      0.00000
    157       3.9284      0.00000
    158       3.9950      0.00000
    159       4.1314      0.00000
    160       4.2192      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9640      1.00000
      3     -21.8926      1.00000
      4     -21.3845      1.00000
      5     -21.3484      1.00000
      6     -20.8392      1.00000
      7     -20.7735      1.00000
      8     -20.6250      1.00000
      9     -20.0895      1.00000
     10     -20.0612      1.00000
     11     -19.7186      1.00000
     12     -19.6899      1.00000
     13     -19.0097      1.00000
     14     -18.9792      1.00000
     15     -18.6499      1.00000
     16     -18.6177      1.00000
     17     -18.4608      1.00000
     18     -17.6606      1.00000
     19     -17.6468      1.00000
     20     -17.6110      1.00000
     21     -17.5786      1.00000
     22     -17.1373      1.00000
     23     -17.0980      1.00000
     24     -16.9664      1.00000
     25     -16.0086      1.00000
     26     -15.9237      1.00000
     27     -15.5987      1.00000
     28     -15.5757      1.00000
     29     -15.2806      1.00000
     30     -14.8766      1.00000
     31     -14.8303      1.00000
     32     -14.5748      1.00000
     33     -14.5374      1.00000
     34     -14.1647      1.00000
     35     -14.1605      1.00000
     36     -13.1624      1.00000
     37     -13.0958      1.00000
     38     -13.0235      1.00000
     39     -13.0190      1.00000
     40     -12.7180      1.00000
     41     -12.6951      1.00000
     42     -12.3409      1.00000
     43     -12.3140      1.00000
     44     -11.6324      1.00000
     45     -11.6235      1.00000
     46     -11.5708      1.00000
     47     -10.9413      1.00000
     48     -10.9234      1.00000
     49     -10.6672      1.00000
     50     -10.5904      1.00000
     51     -10.5731      1.00000
     52     -10.5021      1.00000
     53     -10.4886      1.00000
     54     -10.4394      1.00000
     55     -10.3561      1.00000
     56     -10.1031      1.00000
     57      -9.8979      1.00000
     58      -9.6082      1.00000
     59      -9.5515      1.00000
     60      -9.4535      1.00000
     61      -9.4196      1.00000
     62      -9.4093      1.00000
     63      -9.3799      1.00000
     64      -9.3721      1.00000
     65      -9.2676      1.00000
     66      -9.1662      1.00000
     67      -9.1423      1.00000
     68      -9.1169      1.00000
     69      -8.8669      1.00000
     70      -8.8609      1.00000
     71      -8.8021      1.00000
     72      -8.5965      1.00000
     73      -8.5260      1.00000
     74      -8.1942      1.00000
     75      -8.1715      1.00000
     76      -8.0764      1.00000
     77      -7.8580      1.00000
     78      -7.8377      1.00000
     79      -7.8226      1.00000
     80      -7.7110      1.00000
     81      -7.6968      1.00000
     82      -7.5988      1.00000
     83      -7.5292      1.00000
     84      -7.3510      1.00000
     85      -7.1692      1.00000
     86      -6.9066      1.00000
     87      -6.8963      1.00000
     88      -6.5930      1.00000
     89      -6.5522      1.00000
     90      -6.4062      1.00000
     91      -6.3026      1.00000
     92      -6.2481      1.00000
     93      -6.2025      1.00000
     94      -6.0043      1.00000
     95      -5.5316      1.00000
     96      -5.4663      1.00000
     97      -5.3143      1.00000
     98      -5.2103      1.00000
     99      -5.0464      1.00000
    100      -4.7235      1.00000
    101      -4.6720      1.00000
    102      -4.4244      1.00000
    103      -4.1949      1.00000
    104      -3.8431      1.00000
    105      -3.6346      1.00000
    106      -3.4168      1.00000
    107      -2.2943      0.00000
    108      -1.5107      0.00000
    109      -1.2717      0.00000
    110      -1.2644      0.00000
    111      -1.0358      0.00000
    112      -0.9788      0.00000
    113      -0.8698      0.00000
    114      -0.8013      0.00000
    115      -0.2656      0.00000
    116       0.2021      0.00000
    117       0.2374      0.00000
    118       0.3564      0.00000
    119       0.6819      0.00000
    120       0.8915      0.00000
    121       0.9204      0.00000
    122       1.0321      0.00000
    123       1.1575      0.00000
    124       1.5025      0.00000
    125       1.5395      0.00000
    126       1.6974      0.00000
    127       1.7761      0.00000
    128       1.8227      0.00000
    129       1.9403      0.00000
    130       1.9630      0.00000
    131       2.1603      0.00000
    132       2.2518      0.00000
    133       2.3941      0.00000
    134       2.4153      0.00000
    135       2.5045      0.00000
    136       2.5959      0.00000
    137       2.6157      0.00000
    138       2.6849      0.00000
    139       2.7482      0.00000
    140       2.8479      0.00000
    141       3.0255      0.00000
    142       3.0629      0.00000
    143       3.1791      0.00000
    144       3.2051      0.00000
    145       3.2219      0.00000
    146       3.2815      0.00000
    147       3.3281      0.00000
    148       3.4274      0.00000
    149       3.5040      0.00000
    150       3.6869      0.00000
    151       3.7007      0.00000
    152       3.7151      0.00000
    153       3.8122      0.00000
    154       3.8811      0.00000
    155       3.9138      0.00000
    156       3.9772      0.00000
    157       3.9880      0.00000
    158       4.0223      0.00000
    159       4.0540      0.00000
    160       4.0904      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3893      1.00000
      2     -21.8304      1.00000
      3     -21.6414      1.00000
      4     -21.6067      1.00000
      5     -21.2785      1.00000
      6     -21.2321      1.00000
      7     -21.0566      1.00000
      8     -20.1711      1.00000
      9     -20.1257      1.00000
     10     -19.6174      1.00000
     11     -19.5908      1.00000
     12     -19.4157      1.00000
     13     -19.0944      1.00000
     14     -19.0565      1.00000
     15     -19.0519      1.00000
     16     -19.0388      1.00000
     17     -18.3674      1.00000
     18     -18.3471      1.00000
     19     -18.0168      1.00000
     20     -17.0720      1.00000
     21     -17.0241      1.00000
     22     -16.9503      1.00000
     23     -16.9362      1.00000
     24     -16.4749      1.00000
     25     -16.4637      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2508      1.00000
     29     -15.2380      1.00000
     30     -15.1908      1.00000
     31     -15.1012      1.00000
     32     -15.0680      1.00000
     33     -14.6993      1.00000
     34     -14.6978      1.00000
     35     -13.7260      1.00000
     36     -13.7253      1.00000
     37     -13.2348      1.00000
     38     -12.6240      1.00000
     39     -12.5801      1.00000
     40     -12.4547      1.00000
     41     -12.4488      1.00000
     42     -12.1066      1.00000
     43     -12.1009      1.00000
     44     -11.7225      1.00000
     45     -11.6843      1.00000
     46     -11.2459      1.00000
     47     -11.2252      1.00000
     48     -11.0176      1.00000
     49     -11.0056      1.00000
     50     -10.9285      1.00000
     51     -10.9002      1.00000
     52     -10.6349      1.00000
     53     -10.1717      1.00000
     54     -10.1493      1.00000
     55     -10.0844      1.00000
     56      -9.9908      1.00000
     57      -9.6965      1.00000
     58      -9.6897      1.00000
     59      -9.6708      1.00000
     60      -9.5929      1.00000
     61      -9.5688      1.00000
     62      -9.5533      1.00000
     63      -9.3126      1.00000
     64      -9.2999      1.00000
     65      -9.2824      1.00000
     66      -9.2447      1.00000
     67      -9.1225      1.00000
     68      -9.1123      1.00000
     69      -9.1108      1.00000
     70      -8.9396      1.00000
     71      -8.8771      1.00000
     72      -8.6061      1.00000
     73      -8.5881      1.00000
     74      -8.2706      1.00000
     75      -8.1009      1.00000
     76      -7.8696      1.00000
     77      -7.8439      1.00000
     78      -7.7905      1.00000
     79      -7.7649      1.00000
     80      -7.7558      1.00000
     81      -7.4466      1.00000
     82      -7.3347      1.00000
     83      -7.3226      1.00000
     84      -7.2658      1.00000
     85      -7.1643      1.00000
     86      -7.0172      1.00000
     87      -6.9874      1.00000
     88      -6.7175      1.00000
     89      -6.6916      1.00000
     90      -6.6320      1.00000
     91      -6.5918      1.00000
     92      -6.1170      1.00000
     93      -6.0606      1.00000
     94      -6.0450      1.00000
     95      -6.0294      1.00000
     96      -5.7488      1.00000
     97      -4.9736      1.00000
     98      -4.8393      1.00000
     99      -4.7098      1.00000
    100      -4.6745      1.00000
    101      -4.4841      1.00000
    102      -4.3507      1.00000
    103      -4.1125      1.00000
    104      -4.0567      1.00000
    105      -3.7566      1.00000
    106      -3.4648      1.00000
    107      -1.9525      0.00000
    108      -1.7727      0.00000
    109      -1.4818      0.00000
    110      -1.3569      0.00000
    111      -1.3376      0.00000
    112      -1.2934      0.00000
    113      -0.6800      0.00000
    114      -0.4741      0.00000
    115      -0.2376      0.00000
    116       0.0474      0.00000
    117       0.5774      0.00000
    118       0.6900      0.00000
    119       0.7671      0.00000
    120       1.0187      0.00000
    121       1.0953      0.00000
    122       1.1730      0.00000
    123       1.2451      0.00000
    124       1.3315      0.00000
    125       1.4115      0.00000
    126       1.5756      0.00000
    127       1.7481      0.00000
    128       1.8348      0.00000
    129       1.8546      0.00000
    130       1.8795      0.00000
    131       2.0194      0.00000
    132       2.1990      0.00000
    133       2.2274      0.00000
    134       2.2619      0.00000
    135       2.4676      0.00000
    136       2.5957      0.00000
    137       2.6239      0.00000
    138       2.7289      0.00000
    139       2.7617      0.00000
    140       2.8316      0.00000
    141       2.8362      0.00000
    142       2.8430      0.00000
    143       2.9198      0.00000
    144       3.0534      0.00000
    145       3.2712      0.00000
    146       3.3437      0.00000
    147       3.3827      0.00000
    148       3.3917      0.00000
    149       3.4159      0.00000
    150       3.5677      0.00000
    151       3.6103      0.00000
    152       3.6691      0.00000
    153       3.7177      0.00000
    154       3.8842      0.00000
    155       3.8927      0.00000
    156       3.9319      0.00000
    157       4.0764      0.00000
    158       4.1813      0.00000
    159       4.2561      0.00000
    160       4.3741      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1192      1.00000
      3     -21.9568      1.00000
      4     -21.4046      1.00000
      5     -21.0459      1.00000
      6     -21.0179      1.00000
      7     -20.4957      1.00000
      8     -20.4663      1.00000
      9     -20.2863      1.00000
     10     -20.2843      1.00000
     11     -19.9566      1.00000
     12     -19.8940      1.00000
     13     -18.8833      1.00000
     14     -18.8164      1.00000
     15     -18.3376      1.00000
     16     -18.3185      1.00000
     17     -18.1494      1.00000
     18     -18.1419      1.00000
     19     -17.8158      1.00000
     20     -17.7978      1.00000
     21     -17.2582      1.00000
     22     -17.2390      1.00000
     23     -17.1607      1.00000
     24     -17.1360      1.00000
     25     -16.1155      1.00000
     26     -15.8811      1.00000
     27     -15.8700      1.00000
     28     -15.8408      1.00000
     29     -15.2317      1.00000
     30     -14.5515      1.00000
     31     -14.5333      1.00000
     32     -14.2765      1.00000
     33     -13.9745      1.00000
     34     -13.9510      1.00000
     35     -13.8246      1.00000
     36     -13.8027      1.00000
     37     -13.6046      1.00000
     38     -13.5795      1.00000
     39     -13.3699      1.00000
     40     -12.6381      1.00000
     41     -12.1696      1.00000
     42     -12.1435      1.00000
     43     -12.0686      1.00000
     44     -12.0222      1.00000
     45     -11.6643      1.00000
     46     -11.6598      1.00000
     47     -11.1374      1.00000
     48     -11.1268      1.00000
     49     -10.7914      1.00000
     50     -10.7358      1.00000
     51     -10.5328      1.00000
     52     -10.2080      1.00000
     53     -10.2020      1.00000
     54     -10.1704      1.00000
     55     -10.0224      1.00000
     56      -9.9941      1.00000
     57      -9.9901      1.00000
     58      -9.8052      1.00000
     59      -9.7959      1.00000
     60      -9.7652      1.00000
     61      -9.7576      1.00000
     62      -9.4559      1.00000
     63      -9.4167      1.00000
     64      -9.0841      1.00000
     65      -9.0458      1.00000
     66      -9.0257      1.00000
     67      -8.9716      1.00000
     68      -8.8972      1.00000
     69      -8.7079      1.00000
     70      -8.6994      1.00000
     71      -8.5617      1.00000
     72      -8.5509      1.00000
     73      -8.4781      1.00000
     74      -8.4606      1.00000
     75      -8.4571      1.00000
     76      -8.3074      1.00000
     77      -8.0947      1.00000
     78      -8.0900      1.00000
     79      -7.9264      1.00000
     80      -7.8319      1.00000
     81      -7.6010      1.00000
     82      -7.5392      1.00000
     83      -7.4460      1.00000
     84      -7.3145      1.00000
     85      -6.9930      1.00000
     86      -6.9193      1.00000
     87      -6.8817      1.00000
     88      -6.5299      1.00000
     89      -6.5161      1.00000
     90      -6.4821      1.00000
     91      -6.4210      1.00000
     92      -5.9270      1.00000
     93      -5.9060      1.00000
     94      -5.7895      1.00000
     95      -5.7750      1.00000
     96      -5.3696      1.00000
     97      -5.3629      1.00000
     98      -5.2214      1.00000
     99      -5.2161      1.00000
    100      -5.1990      1.00000
    101      -4.7200      1.00000
    102      -4.4426      1.00000
    103      -4.1911      1.00000
    104      -3.8210      1.00000
    105      -3.5642      1.00000
    106      -3.2230      1.00000
    107      -2.5644      0.00000
    108      -1.4644      0.00000
    109      -1.2681      0.00000
    110      -1.1873      0.00000
    111      -1.1856      0.00000
    112      -0.6472      0.00000
    113      -0.5534      0.00000
    114      -0.4167      0.00000
    115      -0.3493      0.00000
    116      -0.0801      0.00000
    117      -0.0650      0.00000
    118       0.1234      0.00000
    119       0.5905      0.00000
    120       0.6230      0.00000
    121       0.8490      0.00000
    122       0.9698      0.00000
    123       0.9952      0.00000
    124       1.4888      0.00000
    125       1.6750      0.00000
    126       1.7333      0.00000
    127       1.8425      0.00000
    128       2.0969      0.00000
    129       2.1013      0.00000
    130       2.1679      0.00000
    131       2.2069      0.00000
    132       2.2423      0.00000
    133       2.3265      0.00000
    134       2.4856      0.00000
    135       2.4871      0.00000
    136       2.6504      0.00000
    137       2.8506      0.00000
    138       2.8568      0.00000
    139       2.9431      0.00000
    140       2.9888      0.00000
    141       3.0281      0.00000
    142       3.1264      0.00000
    143       3.1669      0.00000
    144       3.2338      0.00000
    145       3.2350      0.00000
    146       3.2717      0.00000
    147       3.2919      0.00000
    148       3.3422      0.00000
    149       3.3699      0.00000
    150       3.5346      0.00000
    151       3.5452      0.00000
    152       3.6314      0.00000
    153       3.6347      0.00000
    154       3.6703      0.00000
    155       3.6889      0.00000
    156       3.8836      0.00000
    157       3.9358      0.00000
    158       4.0442      0.00000
    159       4.0631      0.00000
    160       4.1606      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2828      1.00000
      2     -22.0785      1.00000
      3     -21.7201      1.00000
      4     -21.6813      1.00000
      5     -20.9824      1.00000
      6     -20.9353      1.00000
      7     -20.6109      1.00000
      8     -20.5793      1.00000
      9     -20.5659      1.00000
     10     -20.0323      1.00000
     11     -19.5137      1.00000
     12     -19.4833      1.00000
     13     -19.3121      1.00000
     14     -19.2984      1.00000
     15     -18.4493      1.00000
     16     -18.4068      1.00000
     17     -17.9281      1.00000
     18     -17.9073      1.00000
     19     -17.7656      1.00000
     20     -17.7213      1.00000
     21     -17.4422      1.00000
     22     -17.4233      1.00000
     23     -17.3386      1.00000
     24     -16.4710      1.00000
     25     -16.4616      1.00000
     26     -15.9696      1.00000
     27     -15.4117      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0938      1.00000
     31     -14.8543      1.00000
     32     -14.8411      1.00000
     33     -14.2975      1.00000
     34     -14.2538      1.00000
     35     -13.4439      1.00000
     36     -13.4003      1.00000
     37     -13.1762      1.00000
     38     -13.1741      1.00000
     39     -12.9852      1.00000
     40     -12.9759      1.00000
     41     -12.6119      1.00000
     42     -12.6092      1.00000
     43     -12.1963      1.00000
     44     -11.5803      1.00000
     45     -11.5397      1.00000
     46     -11.3144      1.00000
     47     -11.2844      1.00000
     48     -11.1414      1.00000
     49     -10.6923      1.00000
     50     -10.6637      1.00000
     51     -10.5454      1.00000
     52     -10.3221      1.00000
     53     -10.3142      1.00000
     54     -10.1758      1.00000
     55     -10.1222      1.00000
     56     -10.1089      1.00000
     57      -9.8107      1.00000
     58      -9.7520      1.00000
     59      -9.7519      1.00000
     60      -9.7020      1.00000
     61      -9.6984      1.00000
     62      -9.6467      1.00000
     63      -9.3522      1.00000
     64      -9.3512      1.00000
     65      -9.3196      1.00000
     66      -9.0272      1.00000
     67      -8.9617      1.00000
     68      -8.9579      1.00000
     69      -8.7755      1.00000
     70      -8.5936      1.00000
     71      -8.5870      1.00000
     72      -8.4235      1.00000
     73      -8.3499      1.00000
     74      -8.3229      1.00000
     75      -8.3029      1.00000
     76      -8.2670      1.00000
     77      -8.2560      1.00000
     78      -8.2410      1.00000
     79      -7.9224      1.00000
     80      -7.7346      1.00000
     81      -7.3788      1.00000
     82      -7.3493      1.00000
     83      -7.3231      1.00000
     84      -7.2174      1.00000
     85      -7.1597      1.00000
     86      -7.0668      1.00000
     87      -6.9606      1.00000
     88      -6.9065      1.00000
     89      -6.6159      1.00000
     90      -6.5559      1.00000
     91      -6.2738      1.00000
     92      -5.9970      1.00000
     93      -5.9598      1.00000
     94      -5.6755      1.00000
     95      -5.6484      1.00000
     96      -5.3878      1.00000
     97      -5.3158      1.00000
     98      -5.2942      1.00000
     99      -5.2127      1.00000
    100      -5.2008      1.00000
    101      -4.5116      1.00000
    102      -4.3372      1.00000
    103      -3.9965      1.00000
    104      -3.8874      1.00000
    105      -3.7941      1.00000
    106      -3.4430      1.00000
    107      -2.0366      0.00000
    108      -1.8649      0.00000
    109      -1.2192      0.00000
    110      -1.1850      0.00000
    111      -1.0376      0.00000
    112      -0.7745      0.00000
    113      -0.6793      0.00000
    114      -0.6617      0.00000
    115      -0.6108      0.00000
    116      -0.1062      0.00000
    117       0.2213      0.00000
    118       0.2370      0.00000
    119       0.7606      0.00000
    120       0.9740      0.00000
    121       1.0704      0.00000
    122       1.2360      0.00000
    123       1.2467      0.00000
    124       1.3284      0.00000
    125       1.5689      0.00000
    126       1.5818      0.00000
    127       1.6817      0.00000
    128       1.7920      0.00000
    129       1.9332      0.00000
    130       1.9343      0.00000
    131       2.0447      0.00000
    132       2.2585      0.00000
    133       2.3359      0.00000
    134       2.4095      0.00000
    135       2.5193      0.00000
    136       2.6251      0.00000
    137       2.7351      0.00000
    138       2.7860      0.00000
    139       2.8313      0.00000
    140       2.8587      0.00000
    141       3.0325      0.00000
    142       3.0891      0.00000
    143       3.1356      0.00000
    144       3.2047      0.00000
    145       3.3416      0.00000
    146       3.3979      0.00000
    147       3.4949      0.00000
    148       3.5235      0.00000
    149       3.5798      0.00000
    150       3.6084      0.00000
    151       3.6159      0.00000
    152       3.7248      0.00000
    153       3.7276      0.00000
    154       3.7499      0.00000
    155       3.7861      0.00000
    156       3.8474      0.00000
    157       3.9887      0.00000
    158       4.0767      0.00000
    159       4.1610      0.00000
    160       4.2217      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4260      1.00000
      2     -21.6018      1.00000
      3     -21.4813      1.00000
      4     -21.4725      1.00000
      5     -21.4411      1.00000
      6     -21.4405      1.00000
      7     -21.4302      1.00000
      8     -19.7069      1.00000
      9     -19.6523      1.00000
     10     -19.6294      1.00000
     11     -19.6188      1.00000
     12     -19.6138      1.00000
     13     -19.6119      1.00000
     14     -18.7901      1.00000
     15     -18.7544      1.00000
     16     -18.7347      1.00000
     17     -18.7255      1.00000
     18     -18.7182      1.00000
     19     -18.7138      1.00000
     20     -16.6346      1.00000
     21     -16.6090      1.00000
     22     -16.5855      1.00000
     23     -16.5819      1.00000
     24     -16.5548      1.00000
     25     -16.5533      1.00000
     26     -15.6137      1.00000
     27     -15.6031      1.00000
     28     -15.5990      1.00000
     29     -15.5650      1.00000
     30     -15.5636      1.00000
     31     -15.5610      1.00000
     32     -14.2595      1.00000
     33     -14.2502      1.00000
     34     -14.2415      1.00000
     35     -14.2367      1.00000
     36     -14.2222      1.00000
     37     -14.2199      1.00000
     38     -11.9058      1.00000
     39     -11.8795      1.00000
     40     -11.8693      1.00000
     41     -11.8652      1.00000
     42     -11.8453      1.00000
     43     -11.8449      1.00000
     44     -11.7710      1.00000
     45     -11.7691      1.00000
     46     -11.7352      1.00000
     47     -11.7291      1.00000
     48     -11.7263      1.00000
     49     -11.7225      1.00000
     50     -10.6741      1.00000
     51     -10.3881      1.00000
     52     -10.3845      1.00000
     53     -10.3770      1.00000
     54     -10.3683      1.00000
     55     -10.3567      1.00000
     56     -10.3536      1.00000
     57      -9.9021      1.00000
     58      -9.4497      1.00000
     59      -9.4055      1.00000
     60      -9.3627      1.00000
     61      -9.3620      1.00000
     62      -9.3542      1.00000
     63      -9.1416      1.00000
     64      -9.1236      1.00000
     65      -9.1209      1.00000
     66      -9.0860      1.00000
     67      -9.0717      1.00000
     68      -9.0710      1.00000
     69      -9.0701      1.00000
     70      -9.0658      1.00000
     71      -9.0650      1.00000
     72      -9.0393      1.00000
     73      -9.0291      1.00000
     74      -9.0271      1.00000
     75      -8.1311      1.00000
     76      -7.7423      1.00000
     77      -7.4705      1.00000
     78      -7.4664      1.00000
     79      -7.4544      1.00000
     80      -7.4356      1.00000
     81      -7.4248      1.00000
     82      -7.4070      1.00000
     83      -7.3120      1.00000
     84      -7.2712      1.00000
     85      -7.2579      1.00000
     86      -7.2490      1.00000
     87      -7.1526      1.00000
     88      -7.0505      1.00000
     89      -6.4470      1.00000
     90      -6.4155      1.00000
     91      -6.4003      1.00000
     92      -6.3640      1.00000
     93      -6.3538      1.00000
     94      -6.3420      1.00000
     95      -5.9611      1.00000
     96      -5.9574      1.00000
     97      -4.8045      1.00000
     98      -4.5435      1.00000
     99      -4.4821      1.00000
    100      -4.4738      1.00000
    101      -4.3832      1.00000
    102      -4.3826      1.00000
    103      -4.2689      1.00000
    104      -4.1881      1.00000
    105      -3.7410      1.00000
    106      -3.4767      1.00000
    107      -1.8637      0.00000
    108      -1.6726      0.00000
    109      -1.6247      0.00000
    110      -1.5926      0.00000
    111      -1.5774      0.00000
    112      -1.5768      0.00000
    113      -0.4324      0.00000
    114       0.1434      0.00000
    115       0.1897      0.00000
    116       0.2533      0.00000
    117       0.2662      0.00000
    118       0.2696      0.00000
    119       0.4736      0.00000
    120       0.5375      0.00000
    121       1.2396      0.00000
    122       1.2860      0.00000
    123       1.5068      0.00000
    124       1.7585      0.00000
    125       1.7589      0.00000
    126       1.7616      0.00000
    127       1.7745      0.00000
    128       1.8244      0.00000
    129       1.9556      0.00000
    130       1.9657      0.00000
    131       1.9729      0.00000
    132       1.9872      0.00000
    133       1.9940      0.00000
    134       2.0652      0.00000
    135       2.2480      0.00000
    136       2.3348      0.00000
    137       2.5830      0.00000
    138       2.5853      0.00000
    139       2.5970      0.00000
    140       2.6975      0.00000
    141       2.9402      0.00000
    142       3.0218      0.00000
    143       3.0350      0.00000
    144       3.0471      0.00000
    145       3.0491      0.00000
    146       3.0494      0.00000
    147       3.0775      0.00000
    148       3.2696      0.00000
    149       3.4047      0.00000
    150       3.4963      0.00000
    151       3.8243      0.00000
    152       3.9208      0.00000
    153       3.9344      0.00000
    154       3.9425      0.00000
    155       3.9620      0.00000
    156       3.9996      0.00000
    157       4.1644      0.00000
    158       4.2524      0.00000
    159       4.2642      0.00000
    160       4.2751      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3893      1.00000
      2     -21.8302      1.00000
      3     -21.6381      1.00000
      4     -21.6105      1.00000
      5     -21.2744      1.00000
      6     -21.2355      1.00000
      7     -21.0571      1.00000
      8     -20.1675      1.00000
      9     -20.1298      1.00000
     10     -19.6087      1.00000
     11     -19.5974      1.00000
     12     -19.4175      1.00000
     13     -19.0895      1.00000
     14     -19.0603      1.00000
     15     -19.0493      1.00000
     16     -19.0415      1.00000
     17     -18.3610      1.00000
     18     -18.3523      1.00000
     19     -18.0194      1.00000
     20     -17.0692      1.00000
     21     -17.0308      1.00000
     22     -16.9446      1.00000
     23     -16.9405      1.00000
     24     -16.4681      1.00000
     25     -16.4638      1.00000
     26     -15.6133      1.00000
     27     -15.6079      1.00000
     28     -15.2527      1.00000
     29     -15.2437      1.00000
     30     -15.1853      1.00000
     31     -15.0988      1.00000
     32     -15.0717      1.00000
     33     -14.6988      1.00000
     34     -14.6964      1.00000
     35     -13.7270      1.00000
     36     -13.7237      1.00000
     37     -13.2366      1.00000
     38     -12.6150      1.00000
     39     -12.5849      1.00000
     40     -12.4550      1.00000
     41     -12.4507      1.00000
     42     -12.1100      1.00000
     43     -12.1045      1.00000
     44     -11.7168      1.00000
     45     -11.6862      1.00000
     46     -11.2354      1.00000
     47     -11.2270      1.00000
     48     -11.0184      1.00000
     49     -11.0102      1.00000
     50     -10.9262      1.00000
     51     -10.9054      1.00000
     52     -10.6288      1.00000
     53     -10.1560      1.00000
     54     -10.1513      1.00000
     55     -10.0933      1.00000
     56      -9.9971      1.00000
     57      -9.7024      1.00000
     58      -9.6961      1.00000
     59      -9.6559      1.00000
     60      -9.5924      1.00000
     61      -9.5763      1.00000
     62      -9.5593      1.00000
     63      -9.3081      1.00000
     64      -9.3038      1.00000
     65      -9.2738      1.00000
     66      -9.2363      1.00000
     67      -9.1367      1.00000
     68      -9.1170      1.00000
     69      -9.1112      1.00000
     70      -8.9399      1.00000
     71      -8.8720      1.00000
     72      -8.6044      1.00000
     73      -8.5915      1.00000
     74      -8.2367      1.00000
     75      -8.1021      1.00000
     76      -7.9121      1.00000
     77      -7.8637      1.00000
     78      -7.7731      1.00000
     79      -7.7574      1.00000
     80      -7.6932      1.00000
     81      -7.5596      1.00000
     82      -7.3406      1.00000
     83      -7.3235      1.00000
     84      -7.2051      1.00000
     85      -7.1240      1.00000
     86      -7.0330      1.00000
     87      -7.0122      1.00000
     88      -6.7047      1.00000
     89      -6.6785      1.00000
     90      -6.6416      1.00000
     91      -6.5990      1.00000
     92      -6.1179      1.00000
     93      -6.0627      1.00000
     94      -6.0310      1.00000
     95      -6.0121      1.00000
     96      -5.7834      1.00000
     97      -4.9731      1.00000
     98      -4.8324      1.00000
     99      -4.7473      1.00000
    100      -4.6800      1.00000
    101      -4.4687      1.00000
    102      -4.2037      1.00000
    103      -4.1726      1.00000
    104      -4.1288      1.00000
    105      -3.7314      1.00000
    106      -3.4868      1.00000
    107      -1.8718      0.00000
    108      -1.8105      0.00000
    109      -1.5258      0.00000
    110      -1.3785      0.00000
    111      -1.3234      0.00000
    112      -1.2897      0.00000
    113      -0.7221      0.00000
    114      -0.3786      0.00000
    115      -0.2514      0.00000
    116       0.0327      0.00000
    117       0.5468      0.00000
    118       0.6953      0.00000
    119       0.7437      0.00000
    120       1.0439      0.00000
    121       1.0973      0.00000
    122       1.1431      0.00000
    123       1.2239      0.00000
    124       1.3722      0.00000
    125       1.5078      0.00000
    126       1.5598      0.00000
    127       1.7056      0.00000
    128       1.7943      0.00000
    129       1.8519      0.00000
    130       1.8780      0.00000
    131       2.0751      0.00000
    132       2.1714      0.00000
    133       2.2247      0.00000
    134       2.2847      0.00000
    135       2.5033      0.00000
    136       2.5738      0.00000
    137       2.5999      0.00000
    138       2.7642      0.00000
    139       2.7825      0.00000
    140       2.8186      0.00000
    141       2.8308      0.00000
    142       2.8772      0.00000
    143       2.9203      0.00000
    144       3.0482      0.00000
    145       3.1442      0.00000
    146       3.2744      0.00000
    147       3.3482      0.00000
    148       3.4008      0.00000
    149       3.4590      0.00000
    150       3.5913      0.00000
    151       3.6244      0.00000
    152       3.6521      0.00000
    153       3.7004      0.00000
    154       3.8929      0.00000
    155       3.9277      0.00000
    156       3.9992      0.00000
    157       4.0413      0.00000
    158       4.2215      0.00000
    159       4.2381      0.00000
    160       4.2567      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2832      1.00000
      2     -22.0780      1.00000
      3     -21.7165      1.00000
      4     -21.6850      1.00000
      5     -20.9792      1.00000
      6     -20.9391      1.00000
      7     -20.6117      1.00000
      8     -20.5754      1.00000
      9     -20.5693      1.00000
     10     -20.0329      1.00000
     11     -19.5035      1.00000
     12     -19.4915      1.00000
     13     -19.3072      1.00000
     14     -19.3016      1.00000
     15     -18.4477      1.00000
     16     -18.4114      1.00000
     17     -17.9227      1.00000
     18     -17.9130      1.00000
     19     -17.7617      1.00000
     20     -17.7263      1.00000
     21     -17.4364      1.00000
     22     -17.4287      1.00000
     23     -17.3414      1.00000
     24     -16.4631      1.00000
     25     -16.4620      1.00000
     26     -15.9675      1.00000
     27     -15.4138      1.00000
     28     -15.4093      1.00000
     29     -15.0963      1.00000
     30     -15.0934      1.00000
     31     -14.8556      1.00000
     32     -14.8474      1.00000
     33     -14.2911      1.00000
     34     -14.2582      1.00000
     35     -13.4376      1.00000
     36     -13.4050      1.00000
     37     -13.1781      1.00000
     38     -13.1738      1.00000
     39     -12.9822      1.00000
     40     -12.9771      1.00000
     41     -12.6139      1.00000
     42     -12.6096      1.00000
     43     -12.1987      1.00000
     44     -11.5760      1.00000
     45     -11.5426      1.00000
     46     -11.3103      1.00000
     47     -11.2878      1.00000
     48     -11.1431      1.00000
     49     -10.6754      1.00000
     50     -10.6617      1.00000
     51     -10.5511      1.00000
     52     -10.3247      1.00000
     53     -10.3177      1.00000
     54     -10.1696      1.00000
     55     -10.1162      1.00000
     56     -10.1126      1.00000
     57      -9.7978      1.00000
     58      -9.7662      1.00000
     59      -9.7515      1.00000
     60      -9.7003      1.00000
     61      -9.6987      1.00000
     62      -9.6618      1.00000
     63      -9.3561      1.00000
     64      -9.3513      1.00000
     65      -9.3152      1.00000
     66      -9.0405      1.00000
     67      -8.9638      1.00000
     68      -8.9489      1.00000
     69      -8.7993      1.00000
     70      -8.5943      1.00000
     71      -8.5581      1.00000
     72      -8.3979      1.00000
     73      -8.3652      1.00000
     74      -8.3246      1.00000
     75      -8.3074      1.00000
     76      -8.2595      1.00000
     77      -8.2578      1.00000
     78      -8.2363      1.00000
     79      -7.9058      1.00000
     80      -7.6515      1.00000
     81      -7.5484      1.00000
     82      -7.3879      1.00000
     83      -7.3505      1.00000
     84      -7.2329      1.00000
     85      -7.0973      1.00000
     86      -7.0393      1.00000
     87      -6.9345      1.00000
     88      -6.8496      1.00000
     89      -6.6125      1.00000
     90      -6.5607      1.00000
     91      -6.2698      1.00000
     92      -6.0436      1.00000
     93      -5.9520      1.00000
     94      -5.6629      1.00000
     95      -5.6234      1.00000
     96      -5.4625      1.00000
     97      -5.3200      1.00000
     98      -5.2794      1.00000
     99      -5.2143      1.00000
    100      -5.1948      1.00000
    101      -4.5082      1.00000
    102      -4.2077      1.00000
    103      -4.0595      1.00000
    104      -3.9897      1.00000
    105      -3.6962      1.00000
    106      -3.4971      1.00000
    107      -1.9472      0.00000
    108      -1.8985      0.00000
    109      -1.3400      0.00000
    110      -1.0869      0.00000
    111      -1.0593      0.00000
    112      -0.8026      0.00000
    113      -0.6789      0.00000
    114      -0.6489      0.00000
    115      -0.6090      0.00000
    116      -0.1121      0.00000
    117       0.2135      0.00000
    118       0.3257      0.00000
    119       0.6841      0.00000
    120       0.8787      0.00000
    121       1.1221      0.00000
    122       1.1970      0.00000
    123       1.3187      0.00000
    124       1.4053      0.00000
    125       1.5512      0.00000
    126       1.5731      0.00000
    127       1.6695      0.00000
    128       1.8110      0.00000
    129       1.8525      0.00000
    130       2.0249      0.00000
    131       2.0907      0.00000
    132       2.2926      0.00000
    133       2.3466      0.00000
    134       2.3749      0.00000
    135       2.5319      0.00000
    136       2.6210      0.00000
    137       2.7132      0.00000
    138       2.7243      0.00000
    139       2.7894      0.00000
    140       2.8741      0.00000
    141       3.0351      0.00000
    142       3.0426      0.00000
    143       3.1515      0.00000
    144       3.2516      0.00000
    145       3.3375      0.00000
    146       3.3965      0.00000
    147       3.4188      0.00000
    148       3.5714      0.00000
    149       3.5768      0.00000
    150       3.5898      0.00000
    151       3.6477      0.00000
    152       3.7494      0.00000
    153       3.7641      0.00000
    154       3.7734      0.00000
    155       3.8525      0.00000
    156       3.9088      0.00000
    157       3.9596      0.00000
    158       4.0963      0.00000
    159       4.2116      0.00000
    160       4.2894      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3172      1.00000
      2     -21.9625      1.00000
      3     -21.8940      1.00000
      4     -21.3808      1.00000
      5     -21.3518      1.00000
      6     -20.8396      1.00000
      7     -20.7749      1.00000
      8     -20.6244      1.00000
      9     -20.0774      1.00000
     10     -20.0721      1.00000
     11     -19.7170      1.00000
     12     -19.6926      1.00000
     13     -18.9964      1.00000
     14     -18.9909      1.00000
     15     -18.6406      1.00000
     16     -18.6249      1.00000
     17     -18.4626      1.00000
     18     -17.6753      1.00000
     19     -17.6255      1.00000
     20     -17.6227      1.00000
     21     -17.5811      1.00000
     22     -17.1267      1.00000
     23     -17.1054      1.00000
     24     -16.9627      1.00000
     25     -16.0025      1.00000
     26     -15.9286      1.00000
     27     -15.5862      1.00000
     28     -15.5861      1.00000
     29     -15.2865      1.00000
     30     -14.8647      1.00000
     31     -14.8376      1.00000
     32     -14.5796      1.00000
     33     -14.5381      1.00000
     34     -14.1681      1.00000
     35     -14.1547      1.00000
     36     -13.1493      1.00000
     37     -13.1011      1.00000
     38     -13.0308      1.00000
     39     -13.0205      1.00000
     40     -12.7099      1.00000
     41     -12.7060      1.00000
     42     -12.3413      1.00000
     43     -12.3103      1.00000
     44     -11.6356      1.00000
     45     -11.6220      1.00000
     46     -11.5714      1.00000
     47     -10.9491      1.00000
     48     -10.9163      1.00000
     49     -10.6317      1.00000
     50     -10.6257      1.00000
     51     -10.5472      1.00000
     52     -10.4996      1.00000
     53     -10.4995      1.00000
     54     -10.4415      1.00000
     55     -10.3619      1.00000
     56     -10.0987      1.00000
     57      -9.9036      1.00000
     58      -9.6100      1.00000
     59      -9.5582      1.00000
     60      -9.4523      1.00000
     61      -9.4120      1.00000
     62      -9.4049      1.00000
     63      -9.3789      1.00000
     64      -9.3786      1.00000
     65      -9.2870      1.00000
     66      -9.1682      1.00000
     67      -9.1432      1.00000
     68      -9.1140      1.00000
     69      -8.8643      1.00000
     70      -8.8572      1.00000
     71      -8.8150      1.00000
     72      -8.5972      1.00000
     73      -8.4802      1.00000
     74      -8.1988      1.00000
     75      -8.1633      1.00000
     76      -8.0095      1.00000
     77      -7.9619      1.00000
     78      -7.8526      1.00000
     79      -7.8421      1.00000
     80      -7.7059      1.00000
     81      -7.6980      1.00000
     82      -7.6234      1.00000
     83      -7.4486      1.00000
     84      -7.3021      1.00000
     85      -7.2537      1.00000
     86      -6.9069      1.00000
     87      -6.8931      1.00000
     88      -6.5890      1.00000
     89      -6.5519      1.00000
     90      -6.4090      1.00000
     91      -6.2540      1.00000
     92      -6.2339      1.00000
     93      -6.2047      1.00000
     94      -6.0230      1.00000
     95      -5.5499      1.00000
     96      -5.4888      1.00000
     97      -5.3499      1.00000
     98      -5.2203      1.00000
     99      -4.9804      1.00000
    100      -4.7324      1.00000
    101      -4.6782      1.00000
    102      -4.3886      1.00000
    103      -4.2030      1.00000
    104      -3.8711      1.00000
    105      -3.5485      1.00000
    106      -3.5087      1.00000
    107      -2.2575      0.00000
    108      -1.4580      0.00000
    109      -1.3723      0.00000
    110      -1.2434      0.00000
    111      -1.0993      0.00000
    112      -0.9471      0.00000
    113      -0.8659      0.00000
    114      -0.8055      0.00000
    115      -0.1439      0.00000
    116       0.1092      0.00000
    117       0.2395      0.00000
    118       0.3750      0.00000
    119       0.6412      0.00000
    120       0.8325      0.00000
    121       0.9341      0.00000
    122       1.0571      0.00000
    123       1.2179      0.00000
    124       1.4399      0.00000
    125       1.5446      0.00000
    126       1.7637      0.00000
    127       1.7829      0.00000
    128       1.8536      0.00000
    129       1.9413      0.00000
    130       2.0238      0.00000
    131       2.1610      0.00000
    132       2.1726      0.00000
    133       2.3940      0.00000
    134       2.4117      0.00000
    135       2.5021      0.00000
    136       2.6020      0.00000
    137       2.6297      0.00000
    138       2.6766      0.00000
    139       2.7661      0.00000
    140       2.8314      0.00000
    141       2.9364      0.00000
    142       3.0675      0.00000
    143       3.1809      0.00000
    144       3.1874      0.00000
    145       3.2179      0.00000
    146       3.2973      0.00000
    147       3.3014      0.00000
    148       3.4545      0.00000
    149       3.4780      0.00000
    150       3.6682      0.00000
    151       3.6977      0.00000
    152       3.7072      0.00000
    153       3.8495      0.00000
    154       3.9042      0.00000
    155       3.9409      0.00000
    156       3.9720      0.00000
    157       4.0177      0.00000
    158       4.0356      0.00000
    159       4.0452      0.00000
    160       4.0549      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2097      1.00000
      2     -22.1179      1.00000
      3     -21.9570      1.00000
      4     -21.4044      1.00000
      5     -21.0497      1.00000
      6     -21.0141      1.00000
      7     -20.5006      1.00000
      8     -20.4615      1.00000
      9     -20.2951      1.00000
     10     -20.2761      1.00000
     11     -19.9574      1.00000
     12     -19.8923      1.00000
     13     -18.8823      1.00000
     14     -18.8143      1.00000
     15     -18.3528      1.00000
     16     -18.3072      1.00000
     17     -18.1534      1.00000
     18     -18.1364      1.00000
     19     -17.8269      1.00000
     20     -17.7899      1.00000
     21     -17.2522      1.00000
     22     -17.2422      1.00000
     23     -17.1653      1.00000
     24     -17.1334      1.00000
     25     -16.1107      1.00000
     26     -15.8852      1.00000
     27     -15.8706      1.00000
     28     -15.8347      1.00000
     29     -15.2370      1.00000
     30     -14.5552      1.00000
     31     -14.5276      1.00000
     32     -14.2807      1.00000
     33     -13.9648      1.00000
     34     -13.9572      1.00000
     35     -13.8212      1.00000
     36     -13.8055      1.00000
     37     -13.6148      1.00000
     38     -13.5715      1.00000
     39     -13.3702      1.00000
     40     -12.6350      1.00000
     41     -12.1811      1.00000
     42     -12.1338      1.00000
     43     -12.0717      1.00000
     44     -12.0201      1.00000
     45     -11.6707      1.00000
     46     -11.6575      1.00000
     47     -11.1392      1.00000
     48     -11.1191      1.00000
     49     -10.7943      1.00000
     50     -10.7314      1.00000
     51     -10.5260      1.00000
     52     -10.2103      1.00000
     53     -10.2055      1.00000
     54     -10.1648      1.00000
     55     -10.0188      1.00000
     56     -10.0045      1.00000
     57      -9.9911      1.00000
     58      -9.8023      1.00000
     59      -9.7986      1.00000
     60      -9.7634      1.00000
     61      -9.7586      1.00000
     62      -9.4545      1.00000
     63      -9.4167      1.00000
     64      -9.0799      1.00000
     65      -9.0736      1.00000
     66      -9.0419      1.00000
     67      -8.9555      1.00000
     68      -8.8772      1.00000
     69      -8.7133      1.00000
     70      -8.7009      1.00000
     71      -8.5659      1.00000
     72      -8.5431      1.00000
     73      -8.4988      1.00000
     74      -8.4643      1.00000
     75      -8.4533      1.00000
     76      -8.2599      1.00000
     77      -8.1256      1.00000
     78      -8.0435      1.00000
     79      -7.9171      1.00000
     80      -7.8629      1.00000
     81      -7.6158      1.00000
     82      -7.5491      1.00000
     83      -7.4910      1.00000
     84      -7.2689      1.00000
     85      -6.9967      1.00000
     86      -6.9250      1.00000
     87      -6.8841      1.00000
     88      -6.5326      1.00000
     89      -6.4878      1.00000
     90      -6.4616      1.00000
     91      -6.4109      1.00000
     92      -5.9836      1.00000
     93      -5.8977      1.00000
     94      -5.7849      1.00000
     95      -5.7604      1.00000
     96      -5.4315      1.00000
     97      -5.3295      1.00000
     98      -5.2307      1.00000
     99      -5.2181      1.00000
    100      -5.1894      1.00000
    101      -4.6922      1.00000
    102      -4.4223      1.00000
    103      -4.2094      1.00000
    104      -3.8345      1.00000
    105      -3.5278      1.00000
    106      -3.2760      1.00000
    107      -2.5327      0.00000
    108      -1.4592      0.00000
    109      -1.2681      0.00000
    110      -1.2047      0.00000
    111      -1.1738      0.00000
    112      -0.7224      0.00000
    113      -0.5054      0.00000
    114      -0.4142      0.00000
    115      -0.3407      0.00000
    116      -0.1486      0.00000
    117      -0.0049      0.00000
    118       0.1901      0.00000
    119       0.5588      0.00000
    120       0.6099      0.00000
    121       0.7858      0.00000
    122       0.8994      0.00000
    123       1.1194      0.00000
    124       1.4794      0.00000
    125       1.6385      0.00000
    126       1.8215      0.00000
    127       1.9130      0.00000
    128       2.0832      0.00000
    129       2.1010      0.00000
    130       2.1075      0.00000
    131       2.1696      0.00000
    132       2.2768      0.00000
    133       2.3055      0.00000
    134       2.4568      0.00000
    135       2.5580      0.00000
    136       2.6473      0.00000
    137       2.8391      0.00000
    138       2.8674      0.00000
    139       2.8844      0.00000
    140       2.9953      0.00000
    141       3.0235      0.00000
    142       3.1309      0.00000
    143       3.1534      0.00000
    144       3.2212      0.00000
    145       3.2669      0.00000
    146       3.2745      0.00000
    147       3.2928      0.00000
    148       3.3356      0.00000
    149       3.3944      0.00000
    150       3.4213      0.00000
    151       3.5098      0.00000
    152       3.6052      0.00000
    153       3.6719      0.00000
    154       3.6913      0.00000
    155       3.7622      0.00000
    156       3.8835      0.00000
    157       3.9285      0.00000
    158       3.9949      0.00000
    159       4.1317      0.00000
    160       4.2192      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9640      1.00000
      3     -21.8926      1.00000
      4     -21.3845      1.00000
      5     -21.3484      1.00000
      6     -20.8392      1.00000
      7     -20.7735      1.00000
      8     -20.6250      1.00000
      9     -20.0895      1.00000
     10     -20.0612      1.00000
     11     -19.7186      1.00000
     12     -19.6899      1.00000
     13     -19.0097      1.00000
     14     -18.9792      1.00000
     15     -18.6499      1.00000
     16     -18.6177      1.00000
     17     -18.4608      1.00000
     18     -17.6606      1.00000
     19     -17.6468      1.00000
     20     -17.6110      1.00000
     21     -17.5786      1.00000
     22     -17.1373      1.00000
     23     -17.0980      1.00000
     24     -16.9664      1.00000
     25     -16.0086      1.00000
     26     -15.9237      1.00000
     27     -15.5987      1.00000
     28     -15.5757      1.00000
     29     -15.2806      1.00000
     30     -14.8766      1.00000
     31     -14.8303      1.00000
     32     -14.5748      1.00000
     33     -14.5374      1.00000
     34     -14.1647      1.00000
     35     -14.1605      1.00000
     36     -13.1624      1.00000
     37     -13.0958      1.00000
     38     -13.0235      1.00000
     39     -13.0190      1.00000
     40     -12.7180      1.00000
     41     -12.6951      1.00000
     42     -12.3409      1.00000
     43     -12.3140      1.00000
     44     -11.6324      1.00000
     45     -11.6235      1.00000
     46     -11.5708      1.00000
     47     -10.9413      1.00000
     48     -10.9234      1.00000
     49     -10.6672      1.00000
     50     -10.5904      1.00000
     51     -10.5731      1.00000
     52     -10.5021      1.00000
     53     -10.4886      1.00000
     54     -10.4394      1.00000
     55     -10.3561      1.00000
     56     -10.1031      1.00000
     57      -9.8979      1.00000
     58      -9.6082      1.00000
     59      -9.5515      1.00000
     60      -9.4535      1.00000
     61      -9.4196      1.00000
     62      -9.4093      1.00000
     63      -9.3799      1.00000
     64      -9.3721      1.00000
     65      -9.2676      1.00000
     66      -9.1662      1.00000
     67      -9.1423      1.00000
     68      -9.1169      1.00000
     69      -8.8669      1.00000
     70      -8.8609      1.00000
     71      -8.8021      1.00000
     72      -8.5965      1.00000
     73      -8.5260      1.00000
     74      -8.1942      1.00000
     75      -8.1715      1.00000
     76      -8.0764      1.00000
     77      -7.8580      1.00000
     78      -7.8377      1.00000
     79      -7.8226      1.00000
     80      -7.7110      1.00000
     81      -7.6968      1.00000
     82      -7.5988      1.00000
     83      -7.5292      1.00000
     84      -7.3510      1.00000
     85      -7.1692      1.00000
     86      -6.9066      1.00000
     87      -6.8963      1.00000
     88      -6.5930      1.00000
     89      -6.5522      1.00000
     90      -6.4062      1.00000
     91      -6.3026      1.00000
     92      -6.2481      1.00000
     93      -6.2025      1.00000
     94      -6.0043      1.00000
     95      -5.5316      1.00000
     96      -5.4663      1.00000
     97      -5.3143      1.00000
     98      -5.2103      1.00000
     99      -5.0464      1.00000
    100      -4.7235      1.00000
    101      -4.6720      1.00000
    102      -4.4244      1.00000
    103      -4.1949      1.00000
    104      -3.8431      1.00000
    105      -3.6346      1.00000
    106      -3.4168      1.00000
    107      -2.2943      0.00000
    108      -1.5107      0.00000
    109      -1.2717      0.00000
    110      -1.2644      0.00000
    111      -1.0358      0.00000
    112      -0.9788      0.00000
    113      -0.8698      0.00000
    114      -0.8013      0.00000
    115      -0.2656      0.00000
    116       0.2021      0.00000
    117       0.2374      0.00000
    118       0.3564      0.00000
    119       0.6819      0.00000
    120       0.8915      0.00000
    121       0.9204      0.00000
    122       1.0321      0.00000
    123       1.1575      0.00000
    124       1.5026      0.00000
    125       1.5394      0.00000
    126       1.6974      0.00000
    127       1.7761      0.00000
    128       1.8227      0.00000
    129       1.9403      0.00000
    130       1.9631      0.00000
    131       2.1604      0.00000
    132       2.2519      0.00000
    133       2.3942      0.00000
    134       2.4154      0.00000
    135       2.5045      0.00000
    136       2.5959      0.00000
    137       2.6157      0.00000
    138       2.6849      0.00000
    139       2.7482      0.00000
    140       2.8479      0.00000
    141       3.0255      0.00000
    142       3.0629      0.00000
    143       3.1790      0.00000
    144       3.2052      0.00000
    145       3.2219      0.00000
    146       3.2815      0.00000
    147       3.3281      0.00000
    148       3.4275      0.00000
    149       3.5040      0.00000
    150       3.6869      0.00000
    151       3.7008      0.00000
    152       3.7151      0.00000
    153       3.8122      0.00000
    154       3.8811      0.00000
    155       3.9138      0.00000
    156       3.9772      0.00000
    157       3.9881      0.00000
    158       4.0224      0.00000
    159       4.0540      0.00000
    160       4.0904      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3893      1.00000
      2     -21.8304      1.00000
      3     -21.6414      1.00000
      4     -21.6067      1.00000
      5     -21.2785      1.00000
      6     -21.2321      1.00000
      7     -21.0566      1.00000
      8     -20.1711      1.00000
      9     -20.1257      1.00000
     10     -19.6174      1.00000
     11     -19.5908      1.00000
     12     -19.4157      1.00000
     13     -19.0944      1.00000
     14     -19.0565      1.00000
     15     -19.0519      1.00000
     16     -19.0388      1.00000
     17     -18.3674      1.00000
     18     -18.3471      1.00000
     19     -18.0168      1.00000
     20     -17.0720      1.00000
     21     -17.0241      1.00000
     22     -16.9503      1.00000
     23     -16.9362      1.00000
     24     -16.4749      1.00000
     25     -16.4637      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2508      1.00000
     29     -15.2380      1.00000
     30     -15.1908      1.00000
     31     -15.1012      1.00000
     32     -15.0680      1.00000
     33     -14.6993      1.00000
     34     -14.6978      1.00000
     35     -13.7260      1.00000
     36     -13.7253      1.00000
     37     -13.2348      1.00000
     38     -12.6240      1.00000
     39     -12.5801      1.00000
     40     -12.4547      1.00000
     41     -12.4488      1.00000
     42     -12.1066      1.00000
     43     -12.1009      1.00000
     44     -11.7225      1.00000
     45     -11.6843      1.00000
     46     -11.2459      1.00000
     47     -11.2252      1.00000
     48     -11.0176      1.00000
     49     -11.0056      1.00000
     50     -10.9285      1.00000
     51     -10.9002      1.00000
     52     -10.6349      1.00000
     53     -10.1717      1.00000
     54     -10.1493      1.00000
     55     -10.0844      1.00000
     56      -9.9908      1.00000
     57      -9.6965      1.00000
     58      -9.6897      1.00000
     59      -9.6708      1.00000
     60      -9.5929      1.00000
     61      -9.5688      1.00000
     62      -9.5533      1.00000
     63      -9.3126      1.00000
     64      -9.2999      1.00000
     65      -9.2824      1.00000
     66      -9.2447      1.00000
     67      -9.1225      1.00000
     68      -9.1123      1.00000
     69      -9.1108      1.00000
     70      -8.9396      1.00000
     71      -8.8771      1.00000
     72      -8.6061      1.00000
     73      -8.5881      1.00000
     74      -8.2706      1.00000
     75      -8.1009      1.00000
     76      -7.8696      1.00000
     77      -7.8439      1.00000
     78      -7.7905      1.00000
     79      -7.7649      1.00000
     80      -7.7558      1.00000
     81      -7.4466      1.00000
     82      -7.3347      1.00000
     83      -7.3226      1.00000
     84      -7.2658      1.00000
     85      -7.1643      1.00000
     86      -7.0172      1.00000
     87      -6.9874      1.00000
     88      -6.7175      1.00000
     89      -6.6916      1.00000
     90      -6.6320      1.00000
     91      -6.5918      1.00000
     92      -6.1170      1.00000
     93      -6.0606      1.00000
     94      -6.0450      1.00000
     95      -6.0294      1.00000
     96      -5.7488      1.00000
     97      -4.9736      1.00000
     98      -4.8393      1.00000
     99      -4.7098      1.00000
    100      -4.6745      1.00000
    101      -4.4841      1.00000
    102      -4.3507      1.00000
    103      -4.1125      1.00000
    104      -4.0567      1.00000
    105      -3.7566      1.00000
    106      -3.4648      1.00000
    107      -1.9525      0.00000
    108      -1.7727      0.00000
    109      -1.4818      0.00000
    110      -1.3569      0.00000
    111      -1.3376      0.00000
    112      -1.2934      0.00000
    113      -0.6800      0.00000
    114      -0.4741      0.00000
    115      -0.2376      0.00000
    116       0.0474      0.00000
    117       0.5774      0.00000
    118       0.6900      0.00000
    119       0.7671      0.00000
    120       1.0187      0.00000
    121       1.0953      0.00000
    122       1.1730      0.00000
    123       1.2451      0.00000
    124       1.3315      0.00000
    125       1.4115      0.00000
    126       1.5757      0.00000
    127       1.7481      0.00000
    128       1.8348      0.00000
    129       1.8546      0.00000
    130       1.8795      0.00000
    131       2.0194      0.00000
    132       2.1991      0.00000
    133       2.2274      0.00000
    134       2.2619      0.00000
    135       2.4677      0.00000
    136       2.5958      0.00000
    137       2.6239      0.00000
    138       2.7290      0.00000
    139       2.7617      0.00000
    140       2.8316      0.00000
    141       2.8363      0.00000
    142       2.8431      0.00000
    143       2.9198      0.00000
    144       3.0535      0.00000
    145       3.2713      0.00000
    146       3.3437      0.00000
    147       3.3827      0.00000
    148       3.3918      0.00000
    149       3.4159      0.00000
    150       3.5678      0.00000
    151       3.6104      0.00000
    152       3.6691      0.00000
    153       3.7177      0.00000
    154       3.8842      0.00000
    155       3.8927      0.00000
    156       3.9320      0.00000
    157       4.0765      0.00000
    158       4.1813      0.00000
    159       4.2561      0.00000
    160       4.3741      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1192      1.00000
      3     -21.9568      1.00000
      4     -21.4046      1.00000
      5     -21.0459      1.00000
      6     -21.0179      1.00000
      7     -20.4957      1.00000
      8     -20.4663      1.00000
      9     -20.2863      1.00000
     10     -20.2843      1.00000
     11     -19.9566      1.00000
     12     -19.8940      1.00000
     13     -18.8833      1.00000
     14     -18.8164      1.00000
     15     -18.3376      1.00000
     16     -18.3185      1.00000
     17     -18.1494      1.00000
     18     -18.1419      1.00000
     19     -17.8158      1.00000
     20     -17.7978      1.00000
     21     -17.2582      1.00000
     22     -17.2390      1.00000
     23     -17.1607      1.00000
     24     -17.1360      1.00000
     25     -16.1155      1.00000
     26     -15.8811      1.00000
     27     -15.8700      1.00000
     28     -15.8408      1.00000
     29     -15.2317      1.00000
     30     -14.5515      1.00000
     31     -14.5333      1.00000
     32     -14.2765      1.00000
     33     -13.9745      1.00000
     34     -13.9510      1.00000
     35     -13.8246      1.00000
     36     -13.8027      1.00000
     37     -13.6046      1.00000
     38     -13.5795      1.00000
     39     -13.3699      1.00000
     40     -12.6381      1.00000
     41     -12.1696      1.00000
     42     -12.1435      1.00000
     43     -12.0686      1.00000
     44     -12.0222      1.00000
     45     -11.6643      1.00000
     46     -11.6598      1.00000
     47     -11.1374      1.00000
     48     -11.1268      1.00000
     49     -10.7914      1.00000
     50     -10.7358      1.00000
     51     -10.5328      1.00000
     52     -10.2080      1.00000
     53     -10.2020      1.00000
     54     -10.1704      1.00000
     55     -10.0224      1.00000
     56      -9.9941      1.00000
     57      -9.9901      1.00000
     58      -9.8052      1.00000
     59      -9.7959      1.00000
     60      -9.7652      1.00000
     61      -9.7576      1.00000
     62      -9.4559      1.00000
     63      -9.4167      1.00000
     64      -9.0841      1.00000
     65      -9.0458      1.00000
     66      -9.0257      1.00000
     67      -8.9716      1.00000
     68      -8.8972      1.00000
     69      -8.7079      1.00000
     70      -8.6994      1.00000
     71      -8.5617      1.00000
     72      -8.5509      1.00000
     73      -8.4781      1.00000
     74      -8.4606      1.00000
     75      -8.4571      1.00000
     76      -8.3074      1.00000
     77      -8.0947      1.00000
     78      -8.0900      1.00000
     79      -7.9264      1.00000
     80      -7.8319      1.00000
     81      -7.6010      1.00000
     82      -7.5392      1.00000
     83      -7.4460      1.00000
     84      -7.3145      1.00000
     85      -6.9930      1.00000
     86      -6.9193      1.00000
     87      -6.8817      1.00000
     88      -6.5299      1.00000
     89      -6.5161      1.00000
     90      -6.4821      1.00000
     91      -6.4210      1.00000
     92      -5.9270      1.00000
     93      -5.9060      1.00000
     94      -5.7895      1.00000
     95      -5.7750      1.00000
     96      -5.3696      1.00000
     97      -5.3629      1.00000
     98      -5.2214      1.00000
     99      -5.2161      1.00000
    100      -5.1990      1.00000
    101      -4.7200      1.00000
    102      -4.4426      1.00000
    103      -4.1911      1.00000
    104      -3.8210      1.00000
    105      -3.5642      1.00000
    106      -3.2230      1.00000
    107      -2.5644      0.00000
    108      -1.4644      0.00000
    109      -1.2681      0.00000
    110      -1.1873      0.00000
    111      -1.1856      0.00000
    112      -0.6472      0.00000
    113      -0.5534      0.00000
    114      -0.4167      0.00000
    115      -0.3493      0.00000
    116      -0.0801      0.00000
    117      -0.0650      0.00000
    118       0.1234      0.00000
    119       0.5905      0.00000
    120       0.6230      0.00000
    121       0.8490      0.00000
    122       0.9698      0.00000
    123       0.9952      0.00000
    124       1.4889      0.00000
    125       1.6750      0.00000
    126       1.7333      0.00000
    127       1.8426      0.00000
    128       2.0969      0.00000
    129       2.1014      0.00000
    130       2.1679      0.00000
    131       2.2069      0.00000
    132       2.2424      0.00000
    133       2.3266      0.00000
    134       2.4856      0.00000
    135       2.4870      0.00000
    136       2.6505      0.00000
    137       2.8506      0.00000
    138       2.8567      0.00000
    139       2.9431      0.00000
    140       2.9888      0.00000
    141       3.0282      0.00000
    142       3.1265      0.00000
    143       3.1669      0.00000
    144       3.2339      0.00000
    145       3.2350      0.00000
    146       3.2717      0.00000
    147       3.2919      0.00000
    148       3.3422      0.00000
    149       3.3699      0.00000
    150       3.5348      0.00000
    151       3.5452      0.00000
    152       3.6315      0.00000
    153       3.6349      0.00000
    154       3.6703      0.00000
    155       3.6891      0.00000
    156       3.8835      0.00000
    157       3.9355      0.00000
    158       4.0421      0.00000
    159       4.0620      0.00000
    160       4.1608      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2828      1.00000
      2     -22.0785      1.00000
      3     -21.7201      1.00000
      4     -21.6813      1.00000
      5     -20.9824      1.00000
      6     -20.9353      1.00000
      7     -20.6109      1.00000
      8     -20.5793      1.00000
      9     -20.5659      1.00000
     10     -20.0323      1.00000
     11     -19.5137      1.00000
     12     -19.4833      1.00000
     13     -19.3121      1.00000
     14     -19.2984      1.00000
     15     -18.4493      1.00000
     16     -18.4068      1.00000
     17     -17.9281      1.00000
     18     -17.9073      1.00000
     19     -17.7656      1.00000
     20     -17.7213      1.00000
     21     -17.4422      1.00000
     22     -17.4233      1.00000
     23     -17.3386      1.00000
     24     -16.4710      1.00000
     25     -16.4616      1.00000
     26     -15.9696      1.00000
     27     -15.4117      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0938      1.00000
     31     -14.8543      1.00000
     32     -14.8411      1.00000
     33     -14.2975      1.00000
     34     -14.2538      1.00000
     35     -13.4439      1.00000
     36     -13.4003      1.00000
     37     -13.1762      1.00000
     38     -13.1741      1.00000
     39     -12.9852      1.00000
     40     -12.9759      1.00000
     41     -12.6119      1.00000
     42     -12.6092      1.00000
     43     -12.1963      1.00000
     44     -11.5803      1.00000
     45     -11.5397      1.00000
     46     -11.3144      1.00000
     47     -11.2844      1.00000
     48     -11.1414      1.00000
     49     -10.6923      1.00000
     50     -10.6637      1.00000
     51     -10.5454      1.00000
     52     -10.3221      1.00000
     53     -10.3142      1.00000
     54     -10.1758      1.00000
     55     -10.1222      1.00000
     56     -10.1089      1.00000
     57      -9.8107      1.00000
     58      -9.7520      1.00000
     59      -9.7519      1.00000
     60      -9.7020      1.00000
     61      -9.6984      1.00000
     62      -9.6467      1.00000
     63      -9.3522      1.00000
     64      -9.3512      1.00000
     65      -9.3196      1.00000
     66      -9.0272      1.00000
     67      -8.9617      1.00000
     68      -8.9579      1.00000
     69      -8.7755      1.00000
     70      -8.5936      1.00000
     71      -8.5870      1.00000
     72      -8.4235      1.00000
     73      -8.3499      1.00000
     74      -8.3229      1.00000
     75      -8.3029      1.00000
     76      -8.2670      1.00000
     77      -8.2560      1.00000
     78      -8.2410      1.00000
     79      -7.9224      1.00000
     80      -7.7346      1.00000
     81      -7.3788      1.00000
     82      -7.3493      1.00000
     83      -7.3231      1.00000
     84      -7.2174      1.00000
     85      -7.1597      1.00000
     86      -7.0668      1.00000
     87      -6.9606      1.00000
     88      -6.9065      1.00000
     89      -6.6159      1.00000
     90      -6.5559      1.00000
     91      -6.2738      1.00000
     92      -5.9970      1.00000
     93      -5.9598      1.00000
     94      -5.6755      1.00000
     95      -5.6484      1.00000
     96      -5.3878      1.00000
     97      -5.3158      1.00000
     98      -5.2942      1.00000
     99      -5.2127      1.00000
    100      -5.2008      1.00000
    101      -4.5116      1.00000
    102      -4.3372      1.00000
    103      -3.9965      1.00000
    104      -3.8874      1.00000
    105      -3.7941      1.00000
    106      -3.4430      1.00000
    107      -2.0366      0.00000
    108      -1.8649      0.00000
    109      -1.2192      0.00000
    110      -1.1850      0.00000
    111      -1.0376      0.00000
    112      -0.7745      0.00000
    113      -0.6793      0.00000
    114      -0.6617      0.00000
    115      -0.6108      0.00000
    116      -0.1062      0.00000
    117       0.2213      0.00000
    118       0.2370      0.00000
    119       0.7607      0.00000
    120       0.9741      0.00000
    121       1.0704      0.00000
    122       1.2360      0.00000
    123       1.2467      0.00000
    124       1.3284      0.00000
    125       1.5689      0.00000
    126       1.5818      0.00000
    127       1.6817      0.00000
    128       1.7920      0.00000
    129       1.9332      0.00000
    130       1.9344      0.00000
    131       2.0447      0.00000
    132       2.2585      0.00000
    133       2.3359      0.00000
    134       2.4095      0.00000
    135       2.5193      0.00000
    136       2.6252      0.00000
    137       2.7352      0.00000
    138       2.7859      0.00000
    139       2.8313      0.00000
    140       2.8587      0.00000
    141       3.0325      0.00000
    142       3.0892      0.00000
    143       3.1356      0.00000
    144       3.2048      0.00000
    145       3.3416      0.00000
    146       3.3979      0.00000
    147       3.4949      0.00000
    148       3.5236      0.00000
    149       3.5798      0.00000
    150       3.6084      0.00000
    151       3.6159      0.00000
    152       3.7248      0.00000
    153       3.7277      0.00000
    154       3.7499      0.00000
    155       3.7861      0.00000
    156       3.8475      0.00000
    157       3.9888      0.00000
    158       4.0767      0.00000
    159       4.1610      0.00000
    160       4.2214      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0424   -7.3929    4.1999   -1.2756   -0.2385   17.5963    0.1466   -0.5321    0.6340   -0.4653
x    -3.0927   -0.0374   -0.0631    0.0619   -0.0094   -2.9777   -0.0106   -0.0071    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0424    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0007   -0.0943   -0.0088    0.0373    0.0378
y    -0.0459   -3.2463   -0.5372   -0.1640   -1.1821   -0.6054
z   204.0424    1.1133   -0.2993    0.0465    0.0115    0.0799   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1107    0.0006    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7546
z    -0.2343    0.2173   -0.0489    0.0509   -0.0945    0.0011
 total charge-density along one line
x   212.0000  -10.2204    6.1478   -2.0856   -0.4742   19.5136   -0.9974    0.4750   -0.0450   -0.1266
x    -2.6458   -0.0276   -0.0609    0.0847   -0.0535   -2.2250   -0.0246   -0.0027    0.0052    0.0021
x    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1478   -2.0856   -0.4742   19.5136   -0.9974    0.4750   -0.0450   -0.1266
y    -2.6458   -0.0276   -0.0609    0.0847   -0.0535   -2.2250   -0.0246   -0.0027    0.0052    0.0021
y    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3954  189.0764 -170.3009  154.0308 -140.2967  126.5477 -111.2419   94.9926  -79.2682
z    64.9520  -52.1997   41.0930  -31.9464   24.9625  -19.8293   15.8232  -12.3082    9.1020   -6.3897
z     4.3621   -2.9715    1.9885   -1.2124    0.5896   -0.1526   -0.1012    0.2475   -0.3705    0.4902
z    -0.5653    0.5588   -0.4862    0.4019   -0.3478    0.3235   -0.3015    0.2628   -0.2128    0.1688
z    -0.1400    0.1213   -0.1036    0.0837   -0.0656    0.0534   -0.0467    0.0417   -0.0356    0.0290
z    -0.0236    0.0202   -0.0179    0.0154   -0.0127    0.0101   -0.0080    0.0063   -0.0047    0.0034
z    -0.0024    0.0016   -0.0008    0.0000    0.0006   -0.0007    0.0007   -0.0006    0.0007   -0.0008
z     0.0007   -0.0004    0.0001    0.0000   -0.0001    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0003   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.057   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.213   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.301   0.000   0.028  -0.192  -0.030   0.000   0.095   0.000   0.000
  0.000   0.213   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.057   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.301   0.000   0.037  -0.131   0.000   0.412   0.000   0.077   0.584  -0.237   0.000   0.059   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.192   0.000  -0.051  -0.281   0.000   0.584   0.000   0.164   1.369  -0.419   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.237   0.000  -0.047  -0.419   0.175   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.094   0.000   0.059   0.000   0.053   0.283  -0.034   0.000   0.262   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.260   8.030   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.866  89.419   8.030 142.315
 


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


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


    CHARGE:  VPU time  116.57: CPU time   58.97
    FORLOC:  VPU time    1.23: CPU time    1.23
    FORNL :  VPU time  456.71: CPU time  229.16
    STRESS:  VPU time 1381.17: CPU time  694.39
    FORCOR:  VPU time    8.71: CPU time    8.71
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.20: CPU time    0.20


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.727011 eV

  energy  without entropy=     -471.727011  energy(sigma->0) =     -471.727011
 

  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    40824.50  40781.21 -47523.61    -37.49      0.00      0.00
  Hartree  40249.34  40231.76 -39508.61    -15.22      0.00      0.00
  E(xc)     -779.42   -779.71   -807.35     -0.25      0.00      0.00
  Local   -83357.92 -83306.00  84347.00     44.96      0.00      0.00
  n-local   -216.83   -215.68   -203.45      0.72      0.00      0.00
  augment     20.06     22.06     17.83      1.73      0.00      0.00
  Kinetic   3162.30   3175.82   3583.81      3.36      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.30     -0.34     -0.46     -0.03      0.00      0.00
  in kB       -0.18     -0.20     -0.28     -0.02      0.00      0.00
  external pressure =       -0.22 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
    12.346119294  0.001055952  0.000000000     0.080993113  0.046752228  0.000000000
    -6.172151808 10.692576705  0.000000000    -0.000007999  0.093518210  0.000000000
     0.000000000  0.000000000 19.982539640     0.000000000  0.000000000  0.050043689

  length of vectors
    12.346119339 12.346119006 19.982539640     0.093518208  0.093518210  0.050043689


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.459E-05 -.493E-04 -.951E+03   0.435E-05 -.277E-04 0.959E+03   -.424E-21 0.000E+00 -.869E+01   -.777E-08 0.180E-08 0.527E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.646E-03 0.373E-03 0.764E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.646E-03 -.373E-03 0.764E-03
   -.209E+01 0.121E+01 0.146E+02   0.210E+01 -.121E+01 -.146E+02   -.222E-02 0.128E-02 -.295E-01   0.241E-02 -.139E-02 0.430E-03
   0.619E+01 0.679E+01 0.178E+02   -.619E+01 -.680E+01 -.178E+02   -.354E-03 0.230E-01 -.318E-01   0.305E-02 0.542E-03 0.871E-03
   0.112E+02 0.512E+01 0.161E+02   -.112E+02 -.513E+01 -.161E+02   0.204E-01 0.634E-02 -.509E-01   0.156E-02 -.117E-02 0.470E-03
   0.469E+01 -.885E+00 0.135E+02   -.470E+01 0.892E+00 -.135E+02   0.167E-01 -.864E-02 -.174E-01   0.372E-03 0.400E-03 0.688E-04
   -.307E+01 -.251E+01 0.125E+02   0.307E+01 0.251E+01 -.125E+02   0.679E-04 0.993E-03 -.154E-01   0.423E-02 -.170E-02 0.240E-03
   0.637E+00 0.392E+01 0.125E+02   -.637E+00 -.391E+01 -.125E+02   -.826E-03 -.555E-03 -.154E-01   0.358E-02 -.281E-02 0.238E-03
   0.246E+01 0.189E+02 0.234E+02   -.246E+01 -.190E+02 -.234E+02   -.187E-02 0.100E+00 -.461E-01   0.917E-03 -.897E-03 0.689E-03
   0.225E+02 0.214E+02 0.419E+02   -.226E+02 -.216E+02 -.418E+02   0.820E-01 0.258E+00 -.619E-01   0.259E-02 0.157E-02 -.784E-03
   0.267E+02 -.343E+01 0.264E+02   -.270E+02 0.354E+01 -.264E+02   0.265E+00 -.108E+00 -.318E-01   0.401E-02 0.191E-02 -.717E-03
   0.911E+01 -.526E+01 0.145E+02   -.915E+01 0.528E+01 -.145E+02   0.430E-01 -.248E-01 -.128E-01   0.293E-02 -.170E-02 0.883E-03
   0.311E+01 -.362E+01 0.135E+02   -.312E+01 0.363E+01 -.135E+02   0.158E-01 -.102E-01 -.174E-01   -.162E-03 -.525E-03 0.643E-04
   -.594E+01 0.136E+02 0.169E+02   0.594E+01 -.136E+02 -.169E+02   -.311E-03 0.719E-01 -.471E-01   0.474E-02 0.273E-03 -.118E-04
   -.118E+02 0.360E+02 0.478E+02   0.118E+02 -.366E+02 -.481E+02   -.284E-01 0.607E+00 0.296E+00   0.357E-02 0.373E-02 -.223E-02
   0.235E+02 -.136E+02 0.930E+02   -.242E+02 0.140E+02 -.950E+02   0.633E+00 -.365E+00 0.203E+01   0.235E-02 -.136E-02 -.423E-02
   0.163E+02 -.214E+02 0.264E+02   -.166E+02 0.216E+02 -.264E+02   0.226E+00 -.175E+00 -.318E-01   0.352E-03 -.443E-02 -.720E-03
   0.115E+01 -.122E+02 0.161E+02   -.116E+01 0.123E+02 -.161E+02   0.473E-02 -.209E-01 -.509E-01   0.180E-02 -.771E-03 0.467E-03
   -.414E+01 0.192E+01 0.123E+02   0.414E+01 -.193E+01 -.123E+02   0.205E-02 0.935E-02 -.421E-01   -.362E-03 -.166E-02 0.194E-03
   -.192E+02 0.111E+02 0.228E+02   0.192E+02 -.111E+02 -.228E+02   -.511E-01 0.295E-01 -.368E-01   0.152E-03 -.867E-04 0.427E-03
   -.371E+02 -.778E+01 0.478E+02   0.377E+02 0.806E+01 -.481E+02   -.540E+00 -.279E+00 0.296E+00   -.145E-02 -.496E-02 -.223E-02
   -.723E+01 -.302E+02 0.419E+02   0.743E+01 0.304E+02 -.418E+02   -.183E+00 -.200E+00 -.619E-01   -.642E-04 -.303E-02 -.785E-03
   -.279E+01 -.875E+01 0.178E+02   0.279E+01 0.877E+01 -.178E+02   -.201E-01 -.112E-01 -.318E-01   0.105E-02 -.291E-02 0.871E-03
   0.136E+01 -.783E+00 0.127E+02   -.136E+01 0.783E+00 -.127E+02   0.348E-02 -.201E-02 -.223E-01   0.439E-03 -.253E-03 -.944E-04
   -.373E+01 0.263E+01 0.123E+02   0.374E+01 -.262E+01 -.123E+02   -.707E-02 -.645E-02 -.421E-01   0.126E-02 0.115E-02 0.197E-03
   -.147E+02 -.164E+01 0.169E+02   0.148E+02 0.168E+01 -.169E+02   -.624E-01 -.357E-01 -.471E-01   0.213E-02 -.424E-02 -.766E-05
   -.151E+02 -.116E+02 0.234E+02   0.152E+02 0.116E+02 -.234E+02   -.876E-01 -.484E-01 -.461E-01   0.124E-02 -.349E-03 0.690E-03
   0.279E+01 0.875E+01 0.178E+02   -.279E+01 -.877E+01 -.178E+02   0.201E-01 0.112E-01 -.318E-01   -.105E-02 0.291E-02 0.871E-03
   0.151E+02 0.116E+02 0.234E+02   -.152E+02 -.116E+02 -.234E+02   0.876E-01 0.484E-01 -.461E-01   -.124E-02 0.349E-03 0.690E-03
   0.147E+02 0.164E+01 0.169E+02   -.148E+02 -.168E+01 -.169E+02   0.624E-01 0.357E-01 -.471E-01   -.213E-02 0.424E-02 -.765E-05
   0.373E+01 -.263E+01 0.123E+02   -.374E+01 0.262E+01 -.123E+02   0.707E-02 0.645E-02 -.421E-01   -.126E-02 -.115E-02 0.197E-03
   -.136E+01 0.783E+00 0.127E+02   0.136E+01 -.783E+00 -.127E+02   -.348E-02 0.201E-02 -.223E-01   -.439E-03 0.253E-03 -.944E-04
   -.115E+01 0.122E+02 0.161E+02   0.116E+01 -.123E+02 -.161E+02   -.473E-02 0.209E-01 -.509E-01   -.180E-02 0.771E-03 0.467E-03
   0.723E+01 0.302E+02 0.419E+02   -.743E+01 -.304E+02 -.418E+02   0.183E+00 0.200E+00 -.619E-01   0.642E-04 0.303E-02 -.785E-03
   0.371E+02 0.778E+01 0.478E+02   -.377E+02 -.806E+01 -.481E+02   0.540E+00 0.279E+00 0.296E+00   0.145E-02 0.496E-02 -.223E-02
   0.192E+02 -.111E+02 0.228E+02   -.192E+02 0.111E+02 -.228E+02   0.511E-01 -.295E-01 -.368E-01   -.152E-03 0.867E-04 0.427E-03
   0.414E+01 -.192E+01 0.123E+02   -.414E+01 0.193E+01 -.123E+02   -.205E-02 -.935E-02 -.421E-01   0.362E-03 0.166E-02 0.194E-03
   -.311E+01 0.362E+01 0.135E+02   0.312E+01 -.363E+01 -.135E+02   -.158E-01 0.102E-01 -.174E-01   0.162E-03 0.525E-03 0.643E-04
   -.163E+02 0.214E+02 0.264E+02   0.166E+02 -.216E+02 -.264E+02   -.226E+00 0.175E+00 -.318E-01   -.352E-03 0.443E-02 -.720E-03
   -.235E+02 0.136E+02 0.930E+02   0.242E+02 -.140E+02 -.950E+02   -.633E+00 0.365E+00 0.203E+01   -.235E-02 0.136E-02 -.423E-02
   0.118E+02 -.360E+02 0.478E+02   -.118E+02 0.366E+02 -.481E+02   0.284E-01 -.607E+00 0.296E+00   -.357E-02 -.373E-02 -.223E-02
   0.594E+01 -.136E+02 0.169E+02   -.594E+01 0.136E+02 -.169E+02   0.311E-03 -.719E-01 -.471E-01   -.474E-02 -.273E-03 -.118E-04
   -.637E+00 -.392E+01 0.125E+02   0.637E+00 0.391E+01 -.125E+02   0.826E-03 0.555E-03 -.154E-01   -.358E-02 0.281E-02 0.238E-03
   -.911E+01 0.526E+01 0.145E+02   0.915E+01 -.528E+01 -.145E+02   -.430E-01 0.248E-01 -.128E-01   -.293E-02 0.170E-02 0.883E-03
   -.267E+02 0.343E+01 0.264E+02   0.270E+02 -.354E+01 -.264E+02   -.265E+00 0.108E+00 -.318E-01   -.401E-02 -.191E-02 -.717E-03
   -.225E+02 -.214E+02 0.419E+02   0.226E+02 0.216E+02 -.418E+02   -.820E-01 -.258E+00 -.619E-01   -.259E-02 -.157E-02 -.784E-03
   -.246E+01 -.189E+02 0.234E+02   0.246E+01 0.190E+02 -.234E+02   0.187E-02 -.100E+00 -.461E-01   -.917E-03 0.897E-03 0.689E-03
   0.209E+01 -.121E+01 0.146E+02   -.210E+01 0.121E+01 -.146E+02   0.222E-02 -.128E-02 -.295E-01   -.241E-02 0.139E-02 0.430E-03
   0.307E+01 0.251E+01 0.125E+02   -.307E+01 -.251E+01 -.125E+02   -.679E-04 -.993E-03 -.154E-01   -.423E-02 0.170E-02 0.240E-03
   -.469E+01 0.885E+00 0.135E+02   0.470E+01 -.892E+00 -.135E+02   -.167E-01 0.864E-02 -.174E-01   -.372E-03 -.400E-03 0.687E-04
   -.112E+02 -.512E+01 0.161E+02   0.112E+02 0.513E+01 -.161E+02   -.204E-01 -.634E-02 -.509E-01   -.156E-02 0.117E-02 0.470E-03
   -.619E+01 -.679E+01 0.178E+02   0.619E+01 0.680E+01 -.178E+02   0.354E-03 -.230E-01 -.318E-01   -.305E-02 -.542E-03 0.871E-03
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.301E-03 0.101E+02   -.185E-12 0.249E-13 -.252E-12   0.285E-15 -.729E-16 -.101E+02   -.425E-08 -.154E-07 -.796E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85243      6.05958     12.31006         0.000000      0.000000      0.011420
      1.07534      6.50824     13.56962         0.003712     -0.002143      0.004276
      2.62953      5.61093     13.56962        -0.003712      0.002143      0.004276
     -6.17212     10.69256      9.95792         0.003090     -0.001784     -0.003097
     11.11137      2.13800      9.95649        -0.003617      0.009222     -0.002092
      9.87608      4.27789      9.96965        -0.000451     -0.003633     -0.000562
      8.64231      6.41672      9.97312         0.003080     -0.001611     -0.000451
     -4.93754      8.55411      9.96790        -0.000565     -0.003345     -0.001772
     -3.70288     10.69261      9.96790         0.002615      0.002161     -0.001772
      1.23409      2.13708      9.96226        -0.003830     -0.007585     -0.000272
     -0.00267      4.27136      9.97358         0.011104     -0.003766     -0.000151
     -1.23817      6.41633      9.99048        -0.004899     -0.000457      0.001867
     -2.46887      8.55449      9.97489         0.000875     -0.000505      0.001701
      4.93809      0.00081      9.97312         0.002935     -0.001862     -0.000451
      3.70440      2.13700      9.97738         0.002825      0.003519      0.000211
      2.47015      4.26902     10.00802         0.001414      0.000367     -0.000923
      1.22936      6.41932     10.01623        -0.000610      0.000352      0.000219
     -0.00182      8.55775      9.99048        -0.002053      0.004471      0.001867
      7.40725      0.00175      9.96965         0.002921      0.002207     -0.000562
      6.17290      2.13923      9.97256         0.003635     -0.000425     -0.000487
      4.93940      4.27732      9.98411         0.000131     -0.000076      0.003240
      3.71196      6.41991     10.00802         0.000390     -0.001408     -0.000923
      2.47353      8.56026      9.97358         0.008813     -0.007734     -0.000151
      9.87810      0.00190      9.95649        -0.009795     -0.001478     -0.002092
      8.64227      2.13947      9.96380         0.004726     -0.002729     -0.002783
      7.40779      4.27813      9.97256         0.002186     -0.002935     -0.000487
      6.17547      6.41703      9.97738        -0.001635     -0.004206      0.000211
      4.94025      8.55634      9.96226         0.004654      0.007110     -0.000272
     -0.00108      1.42469      9.95649         0.009795      0.001478     -0.002092
     -1.23539      3.56283      9.96226        -0.004654     -0.007110     -0.000272
     -2.47061      5.70214      9.97738         0.001635      0.004206      0.000211
     -3.70293      7.84104      9.97256        -0.002186      0.002935     -0.000487
     -4.93740      9.97970      9.96380        -0.004726      0.002729     -0.002783
      2.46977      1.42484      9.96965        -0.002921     -0.002207     -0.000562
      1.23134      3.55891      9.97358        -0.008813      0.007734     -0.000151
     -0.00710      5.69926     10.00802        -0.000390      0.001408     -0.000923
     -1.23454      7.84185      9.98411        -0.000131      0.000076      0.003240
     -2.46804      9.97994      9.97256        -0.003635      0.000425     -0.000487
      4.93893      1.42578      9.97312        -0.002935      0.001862     -0.000451
      3.70668      3.56142      9.99048         0.002053     -0.004471      0.001867
      2.47551      5.69985     10.01623         0.000610     -0.000352      0.000219
      1.23471      7.85015     10.00802        -0.001414     -0.000367     -0.000923
      0.00047      9.98217      9.97738        -0.002825     -0.003519      0.000211
      7.40775      1.42656      9.96790        -0.002615     -0.002161     -0.001772
      6.17374      3.56468      9.97489        -0.000875      0.000505      0.001701
      4.94303      5.70284      9.99048         0.004899      0.000457      0.001867
      3.70753      7.84780      9.97358        -0.011104      0.003766     -0.000151
      2.47077      9.98209      9.96226         0.003830      0.007585     -0.000272
      9.87698      1.42661      9.95792        -0.003090      0.001784     -0.003097
      8.64241      3.56506      9.96790         0.000565      0.003345     -0.001772
      7.40868      5.70351      9.97312        -0.003080      0.001611     -0.000451
      6.17490      7.84233      9.96965         0.000451      0.003633     -0.000562
      4.93961      9.98223      9.95649         0.003617     -0.009222     -0.002092
 -----------------------------------------------------------------------------------
    total drift:                               -0.001817      0.000301      0.007799


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




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


    WAVPRE:  VPU time    1.97: CPU time    1.97
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  184.17: CPU time   92.27
     LOOP+:  VPU time13048.96: CPU time 6734.74


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


    POTLOK:  VPU time    9.19: CPU time    9.11
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1959.77: CPU time 1011.15
 BZINTS: Fermi energy: -3.147585;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.51: CPU time   58.94
    MIXING:  VPU time    0.14: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 2086.03: CPU time 1079.72

 eigenvalue-minimisations  :  6616
 total energy-change (2. order) :-0.4717270E+03  (-0.1575391E-02)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9568098 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.30293E-02    rms(broyden)= 0.30263E-02
  rms(prec ) = 0.33464E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34074.06026172
  -1/2 Hartree   DENC   =    -40965.16912085
  -V(xc)+E(xc)   XCENC  =       726.55173030
  PAW double counting   =      4093.21930864    -4131.56665460
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.26233236
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72695355 eV

  energy without entropy =     -471.72695355  energy(sigma->0) =     -471.72695355


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




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


    POTLOK:  VPU time    9.04: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1801.55: CPU time  929.27
 BZINTS: Fermi energy: -3.146465;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1810.96: CPU time  938.68

 eigenvalue-minimisations  :  5832
 total energy-change (2. order) :-0.9674832E-05  (-0.3739823E-04)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9568098 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34074.06026172
  -1/2 Hartree   DENC   =    -40964.97828837
  -V(xc)+E(xc)   XCENC  =       726.54486543
  PAW double counting   =      4093.07239049    -4131.41425723
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.45178887
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72696322 eV

  energy without entropy =     -471.72696322  energy(sigma->0) =     -471.72696322


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




 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 -58.2137       2 -39.5408       3 -39.5408       4 -58.3133       5 -58.3172
       6 -58.3197       7 -58.3141       8 -58.3148       9 -58.3147      10 -58.3214
      11 -58.3875      12 -58.3521      13 -58.3226      14 -58.3141      15 -58.3247
      16 -58.5409      17 -58.7280      18 -58.3521      19 -58.3197      20 -58.3196
      21 -58.3581      22 -58.5409      23 -58.3875      24 -58.3172      25 -58.3221
      26 -58.3196      27 -58.3247      28 -58.3214      29 -58.3171      30 -58.3213
      31 -58.3246      32 -58.3195      33 -58.3220      34 -58.3196      35 -58.3874
      36 -58.5408      37 -58.3580      38 -58.3195      39 -58.3140      40 -58.3519
      41 -58.7279      42 -58.5408      43 -58.3246      44 -58.3147      45 -58.3224
      46 -58.3519      47 -58.3875      48 -58.3213      49 -58.3132      50 -58.3147
      51 -58.3140      52 -58.3196      53 -58.3171
 
 
 
 E-fermi :  -3.1465     XC(G=0):  -2.3688     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     -22.4233      1.00000
      2     -21.5995      1.00000
      3     -21.4789      1.00000
      4     -21.4699      1.00000
      5     -21.4380      1.00000
      6     -21.4374      1.00000
      7     -21.4276      1.00000
      8     -19.7039      1.00000
      9     -19.6504      1.00000
     10     -19.6280      1.00000
     11     -19.6148      1.00000
     12     -19.6109      1.00000
     13     -19.6096      1.00000
     14     -18.7853      1.00000
     15     -18.7529      1.00000
     16     -18.7342      1.00000
     17     -18.7236      1.00000
     18     -18.7166      1.00000
     19     -18.7090      1.00000
     20     -16.6336      1.00000
     21     -16.6076      1.00000
     22     -16.5824      1.00000
     23     -16.5782      1.00000
     24     -16.5531      1.00000
     25     -16.5512      1.00000
     26     -15.6114      1.00000
     27     -15.5979      1.00000
     28     -15.5962      1.00000
     29     -15.5641      1.00000
     30     -15.5608      1.00000
     31     -15.5602      1.00000
     32     -14.2575      1.00000
     33     -14.2499      1.00000
     34     -14.2376      1.00000
     35     -14.2322      1.00000
     36     -14.2222      1.00000
     37     -14.2169      1.00000
     38     -11.9023      1.00000
     39     -11.8771      1.00000
     40     -11.8654      1.00000
     41     -11.8644      1.00000
     42     -11.8457      1.00000
     43     -11.8433      1.00000
     44     -11.7686      1.00000
     45     -11.7658      1.00000
     46     -11.7345      1.00000
     47     -11.7277      1.00000
     48     -11.7224      1.00000
     49     -11.7196      1.00000
     50     -10.6722      1.00000
     51     -10.3868      1.00000
     52     -10.3808      1.00000
     53     -10.3753      1.00000
     54     -10.3660      1.00000
     55     -10.3533      1.00000
     56     -10.3516      1.00000
     57      -9.9002      1.00000
     58      -9.4478      1.00000
     59      -9.4036      1.00000
     60      -9.3605      1.00000
     61      -9.3597      1.00000
     62      -9.3522      1.00000
     63      -9.1409      1.00000
     64      -9.1196      1.00000
     65      -9.1192      1.00000
     66      -9.0826      1.00000
     67      -9.0723      1.00000
     68      -9.0704      1.00000
     69      -9.0688      1.00000
     70      -9.0629      1.00000
     71      -9.0614      1.00000
     72      -9.0381      1.00000
     73      -9.0283      1.00000
     74      -9.0222      1.00000
     75      -8.1301      1.00000
     76      -7.7414      1.00000
     77      -7.4656      1.00000
     78      -7.4644      1.00000
     79      -7.4533      1.00000
     80      -7.4330      1.00000
     81      -7.4230      1.00000
     82      -7.4076      1.00000
     83      -7.3111      1.00000
     84      -7.2682      1.00000
     85      -7.2550      1.00000
     86      -7.2482      1.00000
     87      -7.1513      1.00000
     88      -7.0501      1.00000
     89      -6.4445      1.00000
     90      -6.4152      1.00000
     91      -6.3988      1.00000
     92      -6.3627      1.00000
     93      -6.3509      1.00000
     94      -6.3406      1.00000
     95      -5.9576      1.00000
     96      -5.9572      1.00000
     97      -4.8030      1.00000
     98      -4.5412      1.00000
     99      -4.4813      1.00000
    100      -4.4708      1.00000
    101      -4.3820      1.00000
    102      -4.3811      1.00000
    103      -4.2679      1.00000
    104      -4.1859      1.00000
    105      -3.7383      1.00000
    106      -3.4745      1.00000
    107      -1.8596      0.00000
    108      -1.6713      0.00000
    109      -1.6255      0.00000
    110      -1.5935      0.00000
    111      -1.5754      0.00000
    112      -1.5754      0.00000
    113      -0.4304      0.00000
    114       0.1436      0.00000
    115       0.1926      0.00000
    116       0.2555      0.00000
    117       0.2670      0.00000
    118       0.2690      0.00000
    119       0.4741      0.00000
    120       0.5403      0.00000
    121       1.2411      0.00000
    122       1.2873      0.00000
    123       1.5082      0.00000
    124       1.7611      0.00000
    125       1.7613      0.00000
    126       1.7634      0.00000
    127       1.7718      0.00000
    128       1.8263      0.00000
    129       1.9586      0.00000
    130       1.9673      0.00000
    131       1.9717      0.00000
    132       1.9862      0.00000
    133       1.9954      0.00000
    134       2.0679      0.00000
    135       2.2502      0.00000
    136       2.3352      0.00000
    137       2.5848      0.00000
    138       2.5879      0.00000
    139       2.5983      0.00000
    140       2.6926      0.00000
    141       2.9417      0.00000
    142       3.0212      0.00000
    143       3.0220      0.00000
    144       3.0401      0.00000
    145       3.0414      0.00000
    146       3.0468      0.00000
    147       3.0779      0.00000
    148       3.2668      0.00000
    149       3.4028      0.00000
    150       3.4962      0.00000
    151       3.8234      0.00000
    152       3.9057      0.00000
    153       3.9258      0.00000
    154       3.9329      0.00000
    155       3.9609      0.00000
    156       3.9998      0.00000
    157       4.1656      0.00000
    158       4.2542      0.00000
    159       4.2632      0.00000
    160       4.2758      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3867      1.00000
      2     -21.8276      1.00000
      3     -21.6355      1.00000
      4     -21.6077      1.00000
      5     -21.2719      1.00000
      6     -21.2326      1.00000
      7     -21.0543      1.00000
      8     -20.1650      1.00000
      9     -20.1270      1.00000
     10     -19.6054      1.00000
     11     -19.5959      1.00000
     12     -19.4146      1.00000
     13     -19.0871      1.00000
     14     -19.0571      1.00000
     15     -19.0467      1.00000
     16     -19.0398      1.00000
     17     -18.3576      1.00000
     18     -18.3509      1.00000
     19     -18.0169      1.00000
     20     -17.0672      1.00000
     21     -17.0282      1.00000
     22     -16.9420      1.00000
     23     -16.9385      1.00000
     24     -16.4664      1.00000
     25     -16.4612      1.00000
     26     -15.6118      1.00000
     27     -15.6050      1.00000
     28     -15.2498      1.00000
     29     -15.2424      1.00000
     30     -15.1825      1.00000
     31     -15.0951      1.00000
     32     -15.0697      1.00000
     33     -14.6960      1.00000
     34     -14.6951      1.00000
     35     -13.7240      1.00000
     36     -13.7228      1.00000
     37     -13.2339      1.00000
     38     -12.6119      1.00000
     39     -12.5832      1.00000
     40     -12.4513      1.00000
     41     -12.4487      1.00000
     42     -12.1070      1.00000
     43     -12.1040      1.00000
     44     -11.7152      1.00000
     45     -11.6843      1.00000
     46     -11.2333      1.00000
     47     -11.2250      1.00000
     48     -11.0153      1.00000
     49     -11.0081      1.00000
     50     -10.9246      1.00000
     51     -10.9032      1.00000
     52     -10.6269      1.00000
     53     -10.1534      1.00000
     54     -10.1486      1.00000
     55     -10.0906      1.00000
     56      -9.9950      1.00000
     57      -9.7009      1.00000
     58      -9.6929      1.00000
     59      -9.6542      1.00000
     60      -9.5896      1.00000
     61      -9.5762      1.00000
     62      -9.5566      1.00000
     63      -9.3053      1.00000
     64      -9.3017      1.00000
     65      -9.2720      1.00000
     66      -9.2350      1.00000
     67      -9.1345      1.00000
     68      -9.1134      1.00000
     69      -9.1095      1.00000
     70      -8.9378      1.00000
     71      -8.8705      1.00000
     72      -8.6042      1.00000
     73      -8.5891      1.00000
     74      -8.2352      1.00000
     75      -8.0993      1.00000
     76      -7.9103      1.00000
     77      -7.8623      1.00000
     78      -7.7695      1.00000
     79      -7.7564      1.00000
     80      -7.6921      1.00000
     81      -7.5586      1.00000
     82      -7.3367      1.00000
     83      -7.3224      1.00000
     84      -7.2027      1.00000
     85      -7.1233      1.00000
     86      -7.0317      1.00000
     87      -7.0114      1.00000
     88      -6.7027      1.00000
     89      -6.6772      1.00000
     90      -6.6403      1.00000
     91      -6.5971      1.00000
     92      -6.1150      1.00000
     93      -6.0612      1.00000
     94      -6.0298      1.00000
     95      -6.0107      1.00000
     96      -5.7818      1.00000
     97      -4.9717      1.00000
     98      -4.8306      1.00000
     99      -4.7461      1.00000
    100      -4.6778      1.00000
    101      -4.4665      1.00000
    102      -4.2019      1.00000
    103      -4.1709      1.00000
    104      -4.1275      1.00000
    105      -3.7285      1.00000
    106      -3.4846      1.00000
    107      -1.8698      0.00000
    108      -1.8093      0.00000
    109      -1.5246      0.00000
    110      -1.3787      0.00000
    111      -1.3214      0.00000
    112      -1.2891      0.00000
    113      -0.7201      0.00000
    114      -0.3770      0.00000
    115      -0.2508      0.00000
    116       0.0345      0.00000
    117       0.5492      0.00000
    118       0.6956      0.00000
    119       0.7446      0.00000
    120       1.0454      0.00000
    121       1.0987      0.00000
    122       1.1447      0.00000
    123       1.2252      0.00000
    124       1.3739      0.00000
    125       1.5097      0.00000
    126       1.5617      0.00000
    127       1.7072      0.00000
    128       1.7921      0.00000
    129       1.8534      0.00000
    130       1.8780      0.00000
    131       2.0767      0.00000
    132       2.1742      0.00000
    133       2.2266      0.00000
    134       2.2858      0.00000
    135       2.5044      0.00000
    136       2.5741      0.00000
    137       2.5951      0.00000
    138       2.7608      0.00000
    139       2.7816      0.00000
    140       2.8181      0.00000
    141       2.8272      0.00000
    142       2.8769      0.00000
    143       2.9199      0.00000
    144       3.0493      0.00000
    145       3.1453      0.00000
    146       3.2699      0.00000
    147       3.3440      0.00000
    148       3.3963      0.00000
    149       3.4550      0.00000
    150       3.5840      0.00000
    151       3.6227      0.00000
    152       3.6493      0.00000
    153       3.6975      0.00000
    154       3.8893      0.00000
    155       3.9254      0.00000
    156       3.9998      0.00000
    157       4.0405      0.00000
    158       4.2146      0.00000
    159       4.2337      0.00000
    160       4.2540      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2806      1.00000
      2     -22.0752      1.00000
      3     -21.7139      1.00000
      4     -21.6822      1.00000
      5     -20.9767      1.00000
      6     -20.9363      1.00000
      7     -20.6090      1.00000
      8     -20.5730      1.00000
      9     -20.5662      1.00000
     10     -20.0301      1.00000
     11     -19.5001      1.00000
     12     -19.4900      1.00000
     13     -19.3037      1.00000
     14     -19.3002      1.00000
     15     -18.4453      1.00000
     16     -18.4088      1.00000
     17     -17.9194      1.00000
     18     -17.9115      1.00000
     19     -17.7594      1.00000
     20     -17.7237      1.00000
     21     -17.4333      1.00000
     22     -17.4272      1.00000
     23     -17.3391      1.00000
     24     -16.4615      1.00000
     25     -16.4593      1.00000
     26     -15.9646      1.00000
     27     -15.4120      1.00000
     28     -15.4068      1.00000
     29     -15.0942      1.00000
     30     -15.0914      1.00000
     31     -14.8522      1.00000
     32     -14.8470      1.00000
     33     -14.2878      1.00000
     34     -14.2562      1.00000
     35     -13.4343      1.00000
     36     -13.4031      1.00000
     37     -13.1750      1.00000
     38     -13.1731      1.00000
     39     -12.9787      1.00000
     40     -12.9746      1.00000
     41     -12.6106      1.00000
     42     -12.6089      1.00000
     43     -12.1960      1.00000
     44     -11.5745      1.00000
     45     -11.5407      1.00000
     46     -11.3085      1.00000
     47     -11.2857      1.00000
     48     -11.1403      1.00000
     49     -10.6750      1.00000
     50     -10.6585      1.00000
     51     -10.5493      1.00000
     52     -10.3210      1.00000
     53     -10.3161      1.00000
     54     -10.1675      1.00000
     55     -10.1143      1.00000
     56     -10.1108      1.00000
     57      -9.7959      1.00000
     58      -9.7625      1.00000
     59      -9.7500      1.00000
     60      -9.6984      1.00000
     61      -9.6953      1.00000
     62      -9.6597      1.00000
     63      -9.3525      1.00000
     64      -9.3498      1.00000
     65      -9.3139      1.00000
     66      -9.0389      1.00000
     67      -8.9605      1.00000
     68      -8.9476      1.00000
     69      -8.7971      1.00000
     70      -8.5928      1.00000
     71      -8.5563      1.00000
     72      -8.3965      1.00000
     73      -8.3628      1.00000
     74      -8.3234      1.00000
     75      -8.3052      1.00000
     76      -8.2583      1.00000
     77      -8.2549      1.00000
     78      -8.2354      1.00000
     79      -7.9043      1.00000
     80      -7.6504      1.00000
     81      -7.5476      1.00000
     82      -7.3844      1.00000
     83      -7.3490      1.00000
     84      -7.2297      1.00000
     85      -7.0953      1.00000
     86      -7.0387      1.00000
     87      -6.9324      1.00000
     88      -6.8485      1.00000
     89      -6.6118      1.00000
     90      -6.5579      1.00000
     91      -6.2688      1.00000
     92      -6.0422      1.00000
     93      -5.9501      1.00000
     94      -5.6612      1.00000
     95      -5.6218      1.00000
     96      -5.4611      1.00000
     97      -5.3183      1.00000
     98      -5.2778      1.00000
     99      -5.2129      1.00000
    100      -5.1931      1.00000
    101      -4.5057      1.00000
    102      -4.2057      1.00000
    103      -4.0572      1.00000
    104      -3.9892      1.00000
    105      -3.6932      1.00000
    106      -3.4947      1.00000
    107      -1.9470      0.00000
    108      -1.8963      0.00000
    109      -1.3389      0.00000
    110      -1.0853      0.00000
    111      -1.0592      0.00000
    112      -0.8007      0.00000
    113      -0.6782      0.00000
    114      -0.6469      0.00000
    115      -0.6086      0.00000
    116      -0.1100      0.00000
    117       0.2139      0.00000
    118       0.3275      0.00000
    119       0.6866      0.00000
    120       0.8811      0.00000
    121       1.1232      0.00000
    122       1.1972      0.00000
    123       1.3208      0.00000
    124       1.4077      0.00000
    125       1.5516      0.00000
    126       1.5751      0.00000
    127       1.6707      0.00000
    128       1.8114      0.00000
    129       1.8533      0.00000
    130       2.0250      0.00000
    131       2.0865      0.00000
    132       2.2900      0.00000
    133       2.3475      0.00000
    134       2.3779      0.00000
    135       2.5337      0.00000
    136       2.6218      0.00000
    137       2.7148      0.00000
    138       2.7201      0.00000
    139       2.7842      0.00000
    140       2.8716      0.00000
    141       3.0316      0.00000
    142       3.0441      0.00000
    143       3.1525      0.00000
    144       3.2506      0.00000
    145       3.3371      0.00000
    146       3.3940      0.00000
    147       3.4171      0.00000
    148       3.5615      0.00000
    149       3.5740      0.00000
    150       3.5824      0.00000
    151       3.6446      0.00000
    152       3.6676      0.00000
    153       3.7545      0.00000
    154       3.7615      0.00000
    155       3.7792      0.00000
    156       3.8568      0.00000
    157       3.9112      0.00000
    158       3.9597      0.00000
    159       4.2066      0.00000
    160       4.2475      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3146      1.00000
      2     -21.9598      1.00000
      3     -21.8912      1.00000
      4     -21.3781      1.00000
      5     -21.3493      1.00000
      6     -20.8369      1.00000
      7     -20.7721      1.00000
      8     -20.6215      1.00000
      9     -20.0756      1.00000
     10     -20.0691      1.00000
     11     -19.7140      1.00000
     12     -19.6902      1.00000
     13     -18.9946      1.00000
     14     -18.9878      1.00000
     15     -18.6389      1.00000
     16     -18.6221      1.00000
     17     -18.4599      1.00000
     18     -17.6730      1.00000
     19     -17.6229      1.00000
     20     -17.6199      1.00000
     21     -17.5784      1.00000
     22     -17.1248      1.00000
     23     -17.1029      1.00000
     24     -16.9606      1.00000
     25     -16.0001      1.00000
     26     -15.9270      1.00000
     27     -15.5837      1.00000
     28     -15.5830      1.00000
     29     -15.2851      1.00000
     30     -14.8621      1.00000
     31     -14.8348      1.00000
     32     -14.5768      1.00000
     33     -14.5356      1.00000
     34     -14.1669      1.00000
     35     -14.1535      1.00000
     36     -13.1464      1.00000
     37     -13.0979      1.00000
     38     -13.0275      1.00000
     39     -13.0183      1.00000
     40     -12.7077      1.00000
     41     -12.7027      1.00000
     42     -12.3392      1.00000
     43     -12.3081      1.00000
     44     -11.6341      1.00000
     45     -11.6211      1.00000
     46     -11.5703      1.00000
     47     -10.9476      1.00000
     48     -10.9148      1.00000
     49     -10.6290      1.00000
     50     -10.6234      1.00000
     51     -10.5451      1.00000
     52     -10.4980      1.00000
     53     -10.4974      1.00000
     54     -10.4382      1.00000
     55     -10.3583      1.00000
     56     -10.0966      1.00000
     57      -9.9015      1.00000
     58      -9.6063      1.00000
     59      -9.5543      1.00000
     60      -9.4507      1.00000
     61      -9.4105      1.00000
     62      -9.4030      1.00000
     63      -9.3754      1.00000
     64      -9.3753      1.00000
     65      -9.2851      1.00000
     66      -9.1675      1.00000
     67      -9.1419      1.00000
     68      -9.1137      1.00000
     69      -8.8635      1.00000
     70      -8.8555      1.00000
     71      -8.8132      1.00000
     72      -8.5952      1.00000
     73      -8.4779      1.00000
     74      -8.1973      1.00000
     75      -8.1622      1.00000
     76      -8.0085      1.00000
     77      -7.9601      1.00000
     78      -7.8483      1.00000
     79      -7.8396      1.00000
     80      -7.7032      1.00000
     81      -7.6961      1.00000
     82      -7.6217      1.00000
     83      -7.4475      1.00000
     84      -7.3010      1.00000
     85      -7.2523      1.00000
     86      -6.9050      1.00000
     87      -6.8921      1.00000
     88      -6.5880      1.00000
     89      -6.5502      1.00000
     90      -6.4052      1.00000
     91      -6.2517      1.00000
     92      -6.2327      1.00000
     93      -6.2047      1.00000
     94      -6.0214      1.00000
     95      -5.5487      1.00000
     96      -5.4871      1.00000
     97      -5.3483      1.00000
     98      -5.2188      1.00000
     99      -4.9787      1.00000
    100      -4.7299      1.00000
    101      -4.6769      1.00000
    102      -4.3867      1.00000
    103      -4.2011      1.00000
    104      -3.8691      1.00000
    105      -3.5460      1.00000
    106      -3.5062      1.00000
    107      -2.2570      0.00000
    108      -1.4556      0.00000
    109      -1.3729      0.00000
    110      -1.2418      0.00000
    111      -1.0986      0.00000
    112      -0.9454      0.00000
    113      -0.8643      0.00000
    114      -0.8035      0.00000
    115      -0.1417      0.00000
    116       0.1090      0.00000
    117       0.2399      0.00000
    118       0.3758      0.00000
    119       0.6439      0.00000
    120       0.8339      0.00000
    121       0.9354      0.00000
    122       1.0592      0.00000
    123       1.2207      0.00000
    124       1.4410      0.00000
    125       1.5457      0.00000
    126       1.7651      0.00000
    127       1.7838      0.00000
    128       1.8530      0.00000
    129       1.9443      0.00000
    130       2.0229      0.00000
    131       2.1623      0.00000
    132       2.1724      0.00000
    133       2.3959      0.00000
    134       2.4039      0.00000
    135       2.5014      0.00000
    136       2.6025      0.00000
    137       2.6297      0.00000
    138       2.6797      0.00000
    139       2.7627      0.00000
    140       2.8331      0.00000
    141       2.9378      0.00000
    142       3.0654      0.00000
    143       3.1757      0.00000
    144       3.1880      0.00000
    145       3.2141      0.00000
    146       3.2916      0.00000
    147       3.2954      0.00000
    148       3.4524      0.00000
    149       3.4798      0.00000
    150       3.6669      0.00000
    151       3.6998      0.00000
    152       3.7077      0.00000
    153       3.8504      0.00000
    154       3.9015      0.00000
    155       3.9364      0.00000
    156       3.9607      0.00000
    157       3.9898      0.00000
    158       4.0210      0.00000
    159       4.0344      0.00000
    160       4.0508      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2073      1.00000
      2     -22.1150      1.00000
      3     -21.9542      1.00000
      4     -21.4018      1.00000
      5     -21.0469      1.00000
      6     -21.0116      1.00000
      7     -20.4977      1.00000
      8     -20.4591      1.00000
      9     -20.2926      1.00000
     10     -20.2731      1.00000
     11     -19.9550      1.00000
     12     -19.8896      1.00000
     13     -18.8802      1.00000
     14     -18.8117      1.00000
     15     -18.3507      1.00000
     16     -18.3043      1.00000
     17     -18.1512      1.00000
     18     -18.1338      1.00000
     19     -17.8249      1.00000
     20     -17.7868      1.00000
     21     -17.2501      1.00000
     22     -17.2400      1.00000
     23     -17.1633      1.00000
     24     -17.1310      1.00000
     25     -16.1074      1.00000
     26     -15.8830      1.00000
     27     -15.8677      1.00000
     28     -15.8332      1.00000
     29     -15.2351      1.00000
     30     -14.5530      1.00000
     31     -14.5257      1.00000
     32     -14.2789      1.00000
     33     -13.9617      1.00000
     34     -13.9546      1.00000
     35     -13.8187      1.00000
     36     -13.8034      1.00000
     37     -13.6134      1.00000
     38     -13.5691      1.00000
     39     -13.3671      1.00000
     40     -12.6321      1.00000
     41     -12.1799      1.00000
     42     -12.1311      1.00000
     43     -12.0702      1.00000
     44     -12.0175      1.00000
     45     -11.6682      1.00000
     46     -11.6546      1.00000
     47     -11.1376      1.00000
     48     -11.1171      1.00000
     49     -10.7934      1.00000
     50     -10.7292      1.00000
     51     -10.5243      1.00000
     52     -10.2066      1.00000
     53     -10.2042      1.00000
     54     -10.1626      1.00000
     55     -10.0157      1.00000
     56     -10.0022      1.00000
     57      -9.9890      1.00000
     58      -9.7995      1.00000
     59      -9.7961      1.00000
     60      -9.7614      1.00000
     61      -9.7568      1.00000
     62      -9.4533      1.00000
     63      -9.4147      1.00000
     64      -9.0781      1.00000
     65      -9.0704      1.00000
     66      -9.0399      1.00000
     67      -8.9544      1.00000
     68      -8.8754      1.00000
     69      -8.7106      1.00000
     70      -8.6983      1.00000
     71      -8.5645      1.00000
     72      -8.5418      1.00000
     73      -8.4972      1.00000
     74      -8.4613      1.00000
     75      -8.4521      1.00000
     76      -8.2582      1.00000
     77      -8.1239      1.00000
     78      -8.0413      1.00000
     79      -7.9144      1.00000
     80      -7.8614      1.00000
     81      -7.6143      1.00000
     82      -7.5479      1.00000
     83      -7.4905      1.00000
     84      -7.2683      1.00000
     85      -6.9939      1.00000
     86      -6.9230      1.00000
     87      -6.8810      1.00000
     88      -6.5325      1.00000
     89      -6.4859      1.00000
     90      -6.4601      1.00000
     91      -6.4091      1.00000
     92      -5.9823      1.00000
     93      -5.8956      1.00000
     94      -5.7834      1.00000
     95      -5.7586      1.00000
     96      -5.4303      1.00000
     97      -5.3274      1.00000
     98      -5.2294      1.00000
     99      -5.2166      1.00000
    100      -5.1877      1.00000
    101      -4.6902      1.00000
    102      -4.4203      1.00000
    103      -4.2075      1.00000
    104      -3.8321      1.00000
    105      -3.5252      1.00000
    106      -3.2741      1.00000
    107      -2.5316      0.00000
    108      -1.4575      0.00000
    109      -1.2682      0.00000
    110      -1.2033      0.00000
    111      -1.1725      0.00000
    112      -0.7200      0.00000
    113      -0.5045      0.00000
    114      -0.4130      0.00000
    115      -0.3407      0.00000
    116      -0.1466      0.00000
    117      -0.0040      0.00000
    118       0.1916      0.00000
    119       0.5590      0.00000
    120       0.6113      0.00000
    121       0.7881      0.00000
    122       0.9021      0.00000
    123       1.1221      0.00000
    124       1.4811      0.00000
    125       1.6396      0.00000
    126       1.8237      0.00000
    127       1.9147      0.00000
    128       2.0816      0.00000
    129       2.0968      0.00000
    130       2.1088      0.00000
    131       2.1675      0.00000
    132       2.2779      0.00000
    133       2.3020      0.00000
    134       2.4570      0.00000
    135       2.5595      0.00000
    136       2.6490      0.00000
    137       2.8410      0.00000
    138       2.8678      0.00000
    139       2.8859      0.00000
    140       2.9865      0.00000
    141       3.0205      0.00000
    142       3.1327      0.00000
    143       3.1493      0.00000
    144       3.2172      0.00000
    145       3.2664      0.00000
    146       3.2761      0.00000
    147       3.2936      0.00000
    148       3.3371      0.00000
    149       3.3915      0.00000
    150       3.4222      0.00000
    151       3.5084      0.00000
    152       3.6029      0.00000
    153       3.6666      0.00000
    154       3.6880      0.00000
    155       3.7624      0.00000
    156       3.8851      0.00000
    157       3.9237      0.00000
    158       3.9914      0.00000
    159       4.1123      0.00000
    160       4.2188      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3144      1.00000
      2     -21.9615      1.00000
      3     -21.8896      1.00000
      4     -21.3816      1.00000
      5     -21.3459      1.00000
      6     -20.8368      1.00000
      7     -20.7706      1.00000
      8     -20.6225      1.00000
      9     -20.0869      1.00000
     10     -20.0584      1.00000
     11     -19.7157      1.00000
     12     -19.6876      1.00000
     13     -19.0074      1.00000
     14     -18.9765      1.00000
     15     -18.6480      1.00000
     16     -18.6144      1.00000
     17     -18.4584      1.00000
     18     -17.6579      1.00000
     19     -17.6450      1.00000
     20     -17.6090      1.00000
     21     -17.5761      1.00000
     22     -17.1354      1.00000
     23     -17.0951      1.00000
     24     -16.9642      1.00000
     25     -16.0064      1.00000
     26     -15.9205      1.00000
     27     -15.5968      1.00000
     28     -15.5733      1.00000
     29     -15.2780      1.00000
     30     -14.8749      1.00000
     31     -14.8275      1.00000
     32     -14.5731      1.00000
     33     -14.5353      1.00000
     34     -14.1617      1.00000
     35     -14.1580      1.00000
     36     -13.1602      1.00000
     37     -13.0941      1.00000
     38     -13.0213      1.00000
     39     -13.0171      1.00000
     40     -12.7163      1.00000
     41     -12.6931      1.00000
     42     -12.3383      1.00000
     43     -12.3112      1.00000
     44     -11.6301      1.00000
     45     -11.6206      1.00000
     46     -11.5678      1.00000
     47     -10.9384      1.00000
     48     -10.9211      1.00000
     49     -10.6660      1.00000
     50     -10.5881      1.00000
     51     -10.5714      1.00000
     52     -10.4985      1.00000
     53     -10.4869      1.00000
     54     -10.4379      1.00000
     55     -10.3546      1.00000
     56     -10.1011      1.00000
     57      -9.8957      1.00000
     58      -9.6074      1.00000
     59      -9.5496      1.00000
     60      -9.4517      1.00000
     61      -9.4159      1.00000
     62      -9.4076      1.00000
     63      -9.3782      1.00000
     64      -9.3709      1.00000
     65      -9.2657      1.00000
     66      -9.1635      1.00000
     67      -9.1400      1.00000
     68      -9.1136      1.00000
     69      -8.8642      1.00000
     70      -8.8585      1.00000
     71      -8.8004      1.00000
     72      -8.5942      1.00000
     73      -8.5244      1.00000
     74      -8.1912      1.00000
     75      -8.1693      1.00000
     76      -8.0748      1.00000
     77      -7.8573      1.00000
     78      -7.8359      1.00000
     79      -7.8212      1.00000
     80      -7.7095      1.00000
     81      -7.6945      1.00000
     82      -7.5974      1.00000
     83      -7.5282      1.00000
     84      -7.3495      1.00000
     85      -7.1686      1.00000
     86      -6.9034      1.00000
     87      -6.8953      1.00000
     88      -6.5913      1.00000
     89      -6.5505      1.00000
     90      -6.4053      1.00000
     91      -6.3015      1.00000
     92      -6.2459      1.00000
     93      -6.1997      1.00000
     94      -6.0025      1.00000
     95      -5.5300      1.00000
     96      -5.4647      1.00000
     97      -5.3130      1.00000
     98      -5.2087      1.00000
     99      -5.0448      1.00000
    100      -4.7220      1.00000
    101      -4.6698      1.00000
    102      -4.4224      1.00000
    103      -4.1932      1.00000
    104      -3.8407      1.00000
    105      -3.6322      1.00000
    106      -3.4152      1.00000
    107      -2.2922      0.00000
    108      -1.5093      0.00000
    109      -1.2709      0.00000
    110      -1.2626      0.00000
    111      -1.0350      0.00000
    112      -0.9792      0.00000
    113      -0.8685      0.00000
    114      -0.8000      0.00000
    115      -0.2632      0.00000
    116       0.2030      0.00000
    117       0.2382      0.00000
    118       0.3582      0.00000
    119       0.6844      0.00000
    120       0.8919      0.00000
    121       0.9218      0.00000
    122       1.0343      0.00000
    123       1.1599      0.00000
    124       1.5041      0.00000
    125       1.5415      0.00000
    126       1.6987      0.00000
    127       1.7765      0.00000
    128       1.8230      0.00000
    129       1.9395      0.00000
    130       1.9644      0.00000
    131       2.1599      0.00000
    132       2.2535      0.00000
    133       2.3947      0.00000
    134       2.4084      0.00000
    135       2.5044      0.00000
    136       2.5972      0.00000
    137       2.6165      0.00000
    138       2.6873      0.00000
    139       2.7446      0.00000
    140       2.8494      0.00000
    141       3.0274      0.00000
    142       3.0605      0.00000
    143       3.1762      0.00000
    144       3.2019      0.00000
    145       3.2190      0.00000
    146       3.2779      0.00000
    147       3.3208      0.00000
    148       3.4274      0.00000
    149       3.5050      0.00000
    150       3.6887      0.00000
    151       3.6986      0.00000
    152       3.7150      0.00000
    153       3.8129      0.00000
    154       3.8785      0.00000
    155       3.9107      0.00000
    156       3.9723      0.00000
    157       3.9804      0.00000
    158       4.0195      0.00000
    159       4.0473      0.00000
    160       4.0857      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3866      1.00000
      2     -21.8279      1.00000
      3     -21.6385      1.00000
      4     -21.6039      1.00000
      5     -21.2760      1.00000
      6     -21.2293      1.00000
      7     -21.0539      1.00000
      8     -20.1688      1.00000
      9     -20.1230      1.00000
     10     -19.6130      1.00000
     11     -19.5895      1.00000
     12     -19.4133      1.00000
     13     -19.0920      1.00000
     14     -19.0527      1.00000
     15     -19.0494      1.00000
     16     -19.0376      1.00000
     17     -18.3634      1.00000
     18     -18.3459      1.00000
     19     -18.0147      1.00000
     20     -17.0703      1.00000
     21     -17.0217      1.00000
     22     -16.9476      1.00000
     23     -16.9345      1.00000
     24     -16.4741      1.00000
     25     -16.4596      1.00000
     26     -15.6071      1.00000
     27     -15.6062      1.00000
     28     -15.2465      1.00000
     29     -15.2373      1.00000
     30     -15.1897      1.00000
     31     -15.0986      1.00000
     32     -15.0672      1.00000
     33     -14.6962      1.00000
     34     -14.6951      1.00000
     35     -13.7241      1.00000
     36     -13.7218      1.00000
     37     -13.2337      1.00000
     38     -12.6220      1.00000
     39     -12.5794      1.00000
     40     -12.4520      1.00000
     41     -12.4476      1.00000
     42     -12.1020      1.00000
     43     -12.1000      1.00000
     44     -11.7191      1.00000
     45     -11.6805      1.00000
     46     -11.2432      1.00000
     47     -11.2239      1.00000
     48     -11.0153      1.00000
     49     -11.0046      1.00000
     50     -10.9254      1.00000
     51     -10.8967      1.00000
     52     -10.6330      1.00000
     53     -10.1708      1.00000
     54     -10.1467      1.00000
     55     -10.0844      1.00000
     56      -9.9889      1.00000
     57      -9.6946      1.00000
     58      -9.6871      1.00000
     59      -9.6686      1.00000
     60      -9.5908      1.00000
     61      -9.5654      1.00000
     62      -9.5512      1.00000
     63      -9.3114      1.00000
     64      -9.2984      1.00000
     65      -9.2808      1.00000
     66      -9.2411      1.00000
     67      -9.1203      1.00000
     68      -9.1116      1.00000
     69      -9.1085      1.00000
     70      -8.9375      1.00000
     71      -8.8731      1.00000
     72      -8.6041      1.00000
     73      -8.5844      1.00000
     74      -8.2693      1.00000
     75      -8.1007      1.00000
     76      -7.8657      1.00000
     77      -7.8419      1.00000
     78      -7.7891      1.00000
     79      -7.7632      1.00000
     80      -7.7552      1.00000
     81      -7.4455      1.00000
     82      -7.3330      1.00000
     83      -7.3227      1.00000
     84      -7.2650      1.00000
     85      -7.1619      1.00000
     86      -7.0136      1.00000
     87      -6.9863      1.00000
     88      -6.7165      1.00000
     89      -6.6895      1.00000
     90      -6.6302      1.00000
     91      -6.5902      1.00000
     92      -6.1171      1.00000
     93      -6.0583      1.00000
     94      -6.0429      1.00000
     95      -6.0269      1.00000
     96      -5.7471      1.00000
     97      -4.9722      1.00000
     98      -4.8375      1.00000
     99      -4.7086      1.00000
    100      -4.6723      1.00000
    101      -4.4822      1.00000
    102      -4.3484      1.00000
    103      -4.1120      1.00000
    104      -4.0544      1.00000
    105      -3.7539      1.00000
    106      -3.4627      1.00000
    107      -1.9485      0.00000
    108      -1.7728      0.00000
    109      -1.4802      0.00000
    110      -1.3565      0.00000
    111      -1.3365      0.00000
    112      -1.2932      0.00000
    113      -0.6798      0.00000
    114      -0.4726      0.00000
    115      -0.2352      0.00000
    116       0.0487      0.00000
    117       0.5801      0.00000
    118       0.6925      0.00000
    119       0.7673      0.00000
    120       1.0188      0.00000
    121       1.0957      0.00000
    122       1.1748      0.00000
    123       1.2465      0.00000
    124       1.3326      0.00000
    125       1.4144      0.00000
    126       1.5770      0.00000
    127       1.7465      0.00000
    128       1.8373      0.00000
    129       1.8542      0.00000
    130       1.8822      0.00000
    131       2.0199      0.00000
    132       2.2010      0.00000
    133       2.2296      0.00000
    134       2.2636      0.00000
    135       2.4685      0.00000
    136       2.5928      0.00000
    137       2.6230      0.00000
    138       2.7307      0.00000
    139       2.7546      0.00000
    140       2.8306      0.00000
    141       2.8364      0.00000
    142       2.8393      0.00000
    143       2.9197      0.00000
    144       3.0548      0.00000
    145       3.2678      0.00000
    146       3.3403      0.00000
    147       3.3792      0.00000
    148       3.3909      0.00000
    149       3.4123      0.00000
    150       3.5593      0.00000
    151       3.6057      0.00000
    152       3.6657      0.00000
    153       3.7176      0.00000
    154       3.8838      0.00000
    155       3.8917      0.00000
    156       3.9296      0.00000
    157       4.0752      0.00000
    158       4.1776      0.00000
    159       4.2496      0.00000
    160       4.3755      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2064      1.00000
      2     -22.1164      1.00000
      3     -21.9539      1.00000
      4     -21.4018      1.00000
      5     -21.0433      1.00000
      6     -21.0153      1.00000
      7     -20.4934      1.00000
      8     -20.4635      1.00000
      9     -20.2836      1.00000
     10     -20.2817      1.00000
     11     -19.9539      1.00000
     12     -19.8912      1.00000
     13     -18.8807      1.00000
     14     -18.8136      1.00000
     15     -18.3355      1.00000
     16     -18.3164      1.00000
     17     -18.1468      1.00000
     18     -18.1393      1.00000
     19     -17.8137      1.00000
     20     -17.7955      1.00000
     21     -17.2563      1.00000
     22     -17.2364      1.00000
     23     -17.1586      1.00000
     24     -17.1334      1.00000
     25     -16.1139      1.00000
     26     -15.8775      1.00000
     27     -15.8670      1.00000
     28     -15.8389      1.00000
     29     -15.2294      1.00000
     30     -14.5485      1.00000
     31     -14.5304      1.00000
     32     -14.2743      1.00000
     33     -13.9725      1.00000
     34     -13.9498      1.00000
     35     -13.8236      1.00000
     36     -13.8011      1.00000
     37     -13.6024      1.00000
     38     -13.5767      1.00000
     39     -13.3673      1.00000
     40     -12.6363      1.00000
     41     -12.1674      1.00000
     42     -12.1404      1.00000
     43     -12.0653      1.00000
     44     -12.0186      1.00000
     45     -11.6638      1.00000
     46     -11.6588      1.00000
     47     -11.1351      1.00000
     48     -11.1237      1.00000
     49     -10.7879      1.00000
     50     -10.7319      1.00000
     51     -10.5311      1.00000
     52     -10.2069      1.00000
     53     -10.2005      1.00000
     54     -10.1683      1.00000
     55     -10.0204      1.00000
     56      -9.9920      1.00000
     57      -9.9886      1.00000
     58      -9.8036      1.00000
     59      -9.7945      1.00000
     60      -9.7642      1.00000
     61      -9.7551      1.00000
     62      -9.4522      1.00000
     63      -9.4146      1.00000
     64      -9.0824      1.00000
     65      -9.0447      1.00000
     66      -9.0240      1.00000
     67      -8.9684      1.00000
     68      -8.8951      1.00000
     69      -8.7073      1.00000
     70      -8.6970      1.00000
     71      -8.5581      1.00000
     72      -8.5471      1.00000
     73      -8.4762      1.00000
     74      -8.4585      1.00000
     75      -8.4552      1.00000
     76      -8.3052      1.00000
     77      -8.0932      1.00000
     78      -8.0873      1.00000
     79      -7.9259      1.00000
     80      -7.8308      1.00000
     81      -7.5991      1.00000
     82      -7.5357      1.00000
     83      -7.4454      1.00000
     84      -7.3141      1.00000
     85      -6.9930      1.00000
     86      -6.9193      1.00000
     87      -6.8810      1.00000
     88      -6.5270      1.00000
     89      -6.5136      1.00000
     90      -6.4790      1.00000
     91      -6.4192      1.00000
     92      -5.9254      1.00000
     93      -5.9043      1.00000
     94      -5.7874      1.00000
     95      -5.7735      1.00000
     96      -5.3681      1.00000
     97      -5.3618      1.00000
     98      -5.2196      1.00000
     99      -5.2143      1.00000
    100      -5.1977      1.00000
    101      -4.7182      1.00000
    102      -4.4404      1.00000
    103      -4.1893      1.00000
    104      -3.8184      1.00000
    105      -3.5615      1.00000
    106      -3.2221      1.00000
    107      -2.5622      0.00000
    108      -1.4630      0.00000
    109      -1.2685      0.00000
    110      -1.1854      0.00000
    111      -1.1840      0.00000
    112      -0.6457      0.00000
    113      -0.5521      0.00000
    114      -0.4152      0.00000
    115      -0.3486      0.00000
    116      -0.0794      0.00000
    117      -0.0644      0.00000
    118       0.1239      0.00000
    119       0.5923      0.00000
    120       0.6244      0.00000
    121       0.8515      0.00000
    122       0.9727      0.00000
    123       0.9976      0.00000
    124       1.4903      0.00000
    125       1.6766      0.00000
    126       1.7354      0.00000
    127       1.8452      0.00000
    128       2.0891      0.00000
    129       2.1029      0.00000
    130       2.1656      0.00000
    131       2.2080      0.00000
    132       2.2426      0.00000
    133       2.3252      0.00000
    134       2.4872      0.00000
    135       2.4876      0.00000
    136       2.6526      0.00000
    137       2.8510      0.00000
    138       2.8565      0.00000
    139       2.9443      0.00000
    140       2.9800      0.00000
    141       3.0232      0.00000
    142       3.1284      0.00000
    143       3.1631      0.00000
    144       3.2313      0.00000
    145       3.2350      0.00000
    146       3.2726      0.00000
    147       3.2933      0.00000
    148       3.3443      0.00000
    149       3.3676      0.00000
    150       3.5329      0.00000
    151       3.5463      0.00000
    152       3.6314      0.00000
    153       3.6328      0.00000
    154       3.6664      0.00000
    155       3.6845      0.00000
    156       3.8858      0.00000
    157       3.9296      0.00000
    158       4.0286      0.00000
    159       4.0550      0.00000
    160       4.1574      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2802      1.00000
      2     -22.0758      1.00000
      3     -21.7173      1.00000
      4     -21.6784      1.00000
      5     -20.9799      1.00000
      6     -20.9326      1.00000
      7     -20.6091      1.00000
      8     -20.5762      1.00000
      9     -20.5632      1.00000
     10     -20.0297      1.00000
     11     -19.5094      1.00000
     12     -19.4820      1.00000
     13     -19.3079      1.00000
     14     -19.2971      1.00000
     15     -18.4473      1.00000
     16     -18.4044      1.00000
     17     -17.9244      1.00000
     18     -17.9059      1.00000
     19     -17.7636      1.00000
     20     -17.7192      1.00000
     21     -17.4387      1.00000
     22     -17.4220      1.00000
     23     -17.3365      1.00000
     24     -16.4702      1.00000
     25     -16.4572      1.00000
     26     -15.9682      1.00000
     27     -15.4082      1.00000
     28     -15.4078      1.00000
     29     -15.0943      1.00000
     30     -15.0897      1.00000
     31     -14.8498      1.00000
     32     -14.8410      1.00000
     33     -14.2954      1.00000
     34     -14.2530      1.00000
     35     -13.4421      1.00000
     36     -13.3996      1.00000
     37     -13.1731      1.00000
     38     -13.1719      1.00000
     39     -12.9825      1.00000
     40     -12.9745      1.00000
     41     -12.6081      1.00000
     42     -12.6076      1.00000
     43     -12.1954      1.00000
     44     -11.5769      1.00000
     45     -11.5359      1.00000
     46     -11.3110      1.00000
     47     -11.2807      1.00000
     48     -11.1407      1.00000
     49     -10.6893      1.00000
     50     -10.6621      1.00000
     51     -10.5435      1.00000
     52     -10.3203      1.00000
     53     -10.3132      1.00000
     54     -10.1736      1.00000
     55     -10.1204      1.00000
     56     -10.1058      1.00000
     57      -9.8090      1.00000
     58      -9.7511      1.00000
     59      -9.7494      1.00000
     60      -9.7008      1.00000
     61      -9.6968      1.00000
     62      -9.6446      1.00000
     63      -9.3517      1.00000
     64      -9.3488      1.00000
     65      -9.3159      1.00000
     66      -9.0256      1.00000
     67      -8.9602      1.00000
     68      -8.9557      1.00000
     69      -8.7735      1.00000
     70      -8.5896      1.00000
     71      -8.5855      1.00000
     72      -8.4212      1.00000
     73      -8.3478      1.00000
     74      -8.3211      1.00000
     75      -8.3001      1.00000
     76      -8.2646      1.00000
     77      -8.2525      1.00000
     78      -8.2383      1.00000
     79      -7.9206      1.00000
     80      -7.7339      1.00000
     81      -7.3781      1.00000
     82      -7.3497      1.00000
     83      -7.3227      1.00000
     84      -7.2168      1.00000
     85      -7.1589      1.00000
     86      -7.0645      1.00000
     87      -6.9597      1.00000
     88      -6.9042      1.00000
     89      -6.6122      1.00000
     90      -6.5560      1.00000
     91      -6.2699      1.00000
     92      -5.9956      1.00000
     93      -5.9577      1.00000
     94      -5.6736      1.00000
     95      -5.6472      1.00000
     96      -5.3865      1.00000
     97      -5.3140      1.00000
     98      -5.2925      1.00000
     99      -5.2110      1.00000
    100      -5.1995      1.00000
    101      -4.5095      1.00000
    102      -4.3347      1.00000
    103      -3.9963      1.00000
    104      -3.8846      1.00000
    105      -3.7914      1.00000
    106      -3.4412      1.00000
    107      -2.0323      0.00000
    108      -1.8655      0.00000
    109      -1.2179      0.00000
    110      -1.1854      0.00000
    111      -1.0361      0.00000
    112      -0.7728      0.00000
    113      -0.6779      0.00000
    114      -0.6602      0.00000
    115      -0.6103      0.00000
    116      -0.1042      0.00000
    117       0.2213      0.00000
    118       0.2375      0.00000
    119       0.7634      0.00000
    120       0.9764      0.00000
    121       1.0725      0.00000
    122       1.2366      0.00000
    123       1.2490      0.00000
    124       1.3307      0.00000
    125       1.5694      0.00000
    126       1.5845      0.00000
    127       1.6831      0.00000
    128       1.7928      0.00000
    129       1.9355      0.00000
    130       1.9358      0.00000
    131       2.0394      0.00000
    132       2.2546      0.00000
    133       2.3362      0.00000
    134       2.4115      0.00000
    135       2.5206      0.00000
    136       2.6267      0.00000
    137       2.7301      0.00000
    138       2.7810      0.00000
    139       2.8330      0.00000
    140       2.8560      0.00000
    141       3.0288      0.00000
    142       3.0916      0.00000
    143       3.1374      0.00000
    144       3.2028      0.00000
    145       3.3396      0.00000
    146       3.3973      0.00000
    147       3.4937      0.00000
    148       3.5198      0.00000
    149       3.5804      0.00000
    150       3.6061      0.00000
    151       3.6150      0.00000
    152       3.7241      0.00000
    153       3.7284      0.00000
    154       3.7466      0.00000
    155       3.7808      0.00000
    156       3.8461      0.00000
    157       3.9875      0.00000
    158       4.0775      0.00000
    159       4.1608      0.00000
    160       4.1976      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4233      1.00000
      2     -21.5995      1.00000
      3     -21.4789      1.00000
      4     -21.4699      1.00000
      5     -21.4380      1.00000
      6     -21.4374      1.00000
      7     -21.4276      1.00000
      8     -19.7039      1.00000
      9     -19.6504      1.00000
     10     -19.6280      1.00000
     11     -19.6148      1.00000
     12     -19.6109      1.00000
     13     -19.6096      1.00000
     14     -18.7853      1.00000
     15     -18.7529      1.00000
     16     -18.7342      1.00000
     17     -18.7236      1.00000
     18     -18.7166      1.00000
     19     -18.7090      1.00000
     20     -16.6336      1.00000
     21     -16.6076      1.00000
     22     -16.5824      1.00000
     23     -16.5782      1.00000
     24     -16.5531      1.00000
     25     -16.5512      1.00000
     26     -15.6114      1.00000
     27     -15.5979      1.00000
     28     -15.5962      1.00000
     29     -15.5641      1.00000
     30     -15.5608      1.00000
     31     -15.5602      1.00000
     32     -14.2575      1.00000
     33     -14.2499      1.00000
     34     -14.2376      1.00000
     35     -14.2322      1.00000
     36     -14.2222      1.00000
     37     -14.2169      1.00000
     38     -11.9023      1.00000
     39     -11.8771      1.00000
     40     -11.8654      1.00000
     41     -11.8644      1.00000
     42     -11.8457      1.00000
     43     -11.8433      1.00000
     44     -11.7686      1.00000
     45     -11.7658      1.00000
     46     -11.7345      1.00000
     47     -11.7277      1.00000
     48     -11.7224      1.00000
     49     -11.7196      1.00000
     50     -10.6722      1.00000
     51     -10.3868      1.00000
     52     -10.3808      1.00000
     53     -10.3753      1.00000
     54     -10.3660      1.00000
     55     -10.3533      1.00000
     56     -10.3516      1.00000
     57      -9.9002      1.00000
     58      -9.4478      1.00000
     59      -9.4036      1.00000
     60      -9.3605      1.00000
     61      -9.3597      1.00000
     62      -9.3522      1.00000
     63      -9.1409      1.00000
     64      -9.1196      1.00000
     65      -9.1192      1.00000
     66      -9.0826      1.00000
     67      -9.0723      1.00000
     68      -9.0704      1.00000
     69      -9.0688      1.00000
     70      -9.0629      1.00000
     71      -9.0614      1.00000
     72      -9.0381      1.00000
     73      -9.0283      1.00000
     74      -9.0222      1.00000
     75      -8.1301      1.00000
     76      -7.7414      1.00000
     77      -7.4656      1.00000
     78      -7.4644      1.00000
     79      -7.4533      1.00000
     80      -7.4330      1.00000
     81      -7.4230      1.00000
     82      -7.4076      1.00000
     83      -7.3111      1.00000
     84      -7.2682      1.00000
     85      -7.2550      1.00000
     86      -7.2482      1.00000
     87      -7.1513      1.00000
     88      -7.0501      1.00000
     89      -6.4445      1.00000
     90      -6.4152      1.00000
     91      -6.3988      1.00000
     92      -6.3627      1.00000
     93      -6.3509      1.00000
     94      -6.3406      1.00000
     95      -5.9576      1.00000
     96      -5.9572      1.00000
     97      -4.8030      1.00000
     98      -4.5412      1.00000
     99      -4.4813      1.00000
    100      -4.4708      1.00000
    101      -4.3820      1.00000
    102      -4.3811      1.00000
    103      -4.2679      1.00000
    104      -4.1859      1.00000
    105      -3.7383      1.00000
    106      -3.4745      1.00000
    107      -1.8596      0.00000
    108      -1.6713      0.00000
    109      -1.6255      0.00000
    110      -1.5935      0.00000
    111      -1.5754      0.00000
    112      -1.5754      0.00000
    113      -0.4304      0.00000
    114       0.1436      0.00000
    115       0.1926      0.00000
    116       0.2555      0.00000
    117       0.2670      0.00000
    118       0.2690      0.00000
    119       0.4741      0.00000
    120       0.5403      0.00000
    121       1.2411      0.00000
    122       1.2873      0.00000
    123       1.5083      0.00000
    124       1.7611      0.00000
    125       1.7613      0.00000
    126       1.7634      0.00000
    127       1.7717      0.00000
    128       1.8263      0.00000
    129       1.9586      0.00000
    130       1.9673      0.00000
    131       1.9717      0.00000
    132       1.9862      0.00000
    133       1.9954      0.00000
    134       2.0679      0.00000
    135       2.2502      0.00000
    136       2.3352      0.00000
    137       2.5848      0.00000
    138       2.5879      0.00000
    139       2.5983      0.00000
    140       2.6926      0.00000
    141       2.9417      0.00000
    142       3.0211      0.00000
    143       3.0220      0.00000
    144       3.0400      0.00000
    145       3.0413      0.00000
    146       3.0468      0.00000
    147       3.0779      0.00000
    148       3.2667      0.00000
    149       3.4029      0.00000
    150       3.4962      0.00000
    151       3.8234      0.00000
    152       3.9056      0.00000
    153       3.9258      0.00000
    154       3.9328      0.00000
    155       3.9609      0.00000
    156       3.9998      0.00000
    157       4.1655      0.00000
    158       4.2542      0.00000
    159       4.2633      0.00000
    160       4.2758      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3867      1.00000
      2     -21.8276      1.00000
      3     -21.6355      1.00000
      4     -21.6077      1.00000
      5     -21.2719      1.00000
      6     -21.2326      1.00000
      7     -21.0543      1.00000
      8     -20.1650      1.00000
      9     -20.1270      1.00000
     10     -19.6054      1.00000
     11     -19.5959      1.00000
     12     -19.4146      1.00000
     13     -19.0871      1.00000
     14     -19.0571      1.00000
     15     -19.0467      1.00000
     16     -19.0398      1.00000
     17     -18.3576      1.00000
     18     -18.3509      1.00000
     19     -18.0169      1.00000
     20     -17.0672      1.00000
     21     -17.0282      1.00000
     22     -16.9420      1.00000
     23     -16.9385      1.00000
     24     -16.4664      1.00000
     25     -16.4612      1.00000
     26     -15.6118      1.00000
     27     -15.6050      1.00000
     28     -15.2498      1.00000
     29     -15.2424      1.00000
     30     -15.1825      1.00000
     31     -15.0951      1.00000
     32     -15.0697      1.00000
     33     -14.6960      1.00000
     34     -14.6951      1.00000
     35     -13.7240      1.00000
     36     -13.7228      1.00000
     37     -13.2339      1.00000
     38     -12.6119      1.00000
     39     -12.5832      1.00000
     40     -12.4513      1.00000
     41     -12.4487      1.00000
     42     -12.1070      1.00000
     43     -12.1040      1.00000
     44     -11.7152      1.00000
     45     -11.6843      1.00000
     46     -11.2333      1.00000
     47     -11.2250      1.00000
     48     -11.0153      1.00000
     49     -11.0081      1.00000
     50     -10.9246      1.00000
     51     -10.9032      1.00000
     52     -10.6269      1.00000
     53     -10.1534      1.00000
     54     -10.1486      1.00000
     55     -10.0906      1.00000
     56      -9.9950      1.00000
     57      -9.7009      1.00000
     58      -9.6929      1.00000
     59      -9.6542      1.00000
     60      -9.5896      1.00000
     61      -9.5762      1.00000
     62      -9.5566      1.00000
     63      -9.3053      1.00000
     64      -9.3017      1.00000
     65      -9.2720      1.00000
     66      -9.2350      1.00000
     67      -9.1345      1.00000
     68      -9.1134      1.00000
     69      -9.1095      1.00000
     70      -8.9378      1.00000
     71      -8.8705      1.00000
     72      -8.6042      1.00000
     73      -8.5891      1.00000
     74      -8.2352      1.00000
     75      -8.0993      1.00000
     76      -7.9103      1.00000
     77      -7.8623      1.00000
     78      -7.7695      1.00000
     79      -7.7564      1.00000
     80      -7.6921      1.00000
     81      -7.5586      1.00000
     82      -7.3367      1.00000
     83      -7.3224      1.00000
     84      -7.2027      1.00000
     85      -7.1233      1.00000
     86      -7.0317      1.00000
     87      -7.0114      1.00000
     88      -6.7027      1.00000
     89      -6.6772      1.00000
     90      -6.6403      1.00000
     91      -6.5971      1.00000
     92      -6.1150      1.00000
     93      -6.0612      1.00000
     94      -6.0298      1.00000
     95      -6.0107      1.00000
     96      -5.7818      1.00000
     97      -4.9717      1.00000
     98      -4.8306      1.00000
     99      -4.7461      1.00000
    100      -4.6778      1.00000
    101      -4.4665      1.00000
    102      -4.2019      1.00000
    103      -4.1709      1.00000
    104      -4.1275      1.00000
    105      -3.7285      1.00000
    106      -3.4846      1.00000
    107      -1.8698      0.00000
    108      -1.8093      0.00000
    109      -1.5246      0.00000
    110      -1.3787      0.00000
    111      -1.3214      0.00000
    112      -1.2891      0.00000
    113      -0.7201      0.00000
    114      -0.3770      0.00000
    115      -0.2508      0.00000
    116       0.0345      0.00000
    117       0.5492      0.00000
    118       0.6956      0.00000
    119       0.7446      0.00000
    120       1.0454      0.00000
    121       1.0987      0.00000
    122       1.1447      0.00000
    123       1.2252      0.00000
    124       1.3739      0.00000
    125       1.5097      0.00000
    126       1.5617      0.00000
    127       1.7072      0.00000
    128       1.7920      0.00000
    129       1.8534      0.00000
    130       1.8780      0.00000
    131       2.0767      0.00000
    132       2.1742      0.00000
    133       2.2266      0.00000
    134       2.2858      0.00000
    135       2.5044      0.00000
    136       2.5741      0.00000
    137       2.5950      0.00000
    138       2.7608      0.00000
    139       2.7816      0.00000
    140       2.8181      0.00000
    141       2.8272      0.00000
    142       2.8769      0.00000
    143       2.9199      0.00000
    144       3.0493      0.00000
    145       3.1453      0.00000
    146       3.2699      0.00000
    147       3.3440      0.00000
    148       3.3963      0.00000
    149       3.4549      0.00000
    150       3.5839      0.00000
    151       3.6227      0.00000
    152       3.6493      0.00000
    153       3.6975      0.00000
    154       3.8893      0.00000
    155       3.9254      0.00000
    156       3.9998      0.00000
    157       4.0405      0.00000
    158       4.2146      0.00000
    159       4.2336      0.00000
    160       4.2540      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2806      1.00000
      2     -22.0752      1.00000
      3     -21.7139      1.00000
      4     -21.6822      1.00000
      5     -20.9767      1.00000
      6     -20.9363      1.00000
      7     -20.6090      1.00000
      8     -20.5730      1.00000
      9     -20.5662      1.00000
     10     -20.0301      1.00000
     11     -19.5001      1.00000
     12     -19.4900      1.00000
     13     -19.3037      1.00000
     14     -19.3002      1.00000
     15     -18.4453      1.00000
     16     -18.4088      1.00000
     17     -17.9194      1.00000
     18     -17.9115      1.00000
     19     -17.7594      1.00000
     20     -17.7237      1.00000
     21     -17.4333      1.00000
     22     -17.4272      1.00000
     23     -17.3391      1.00000
     24     -16.4615      1.00000
     25     -16.4593      1.00000
     26     -15.9646      1.00000
     27     -15.4120      1.00000
     28     -15.4068      1.00000
     29     -15.0942      1.00000
     30     -15.0914      1.00000
     31     -14.8522      1.00000
     32     -14.8470      1.00000
     33     -14.2878      1.00000
     34     -14.2562      1.00000
     35     -13.4343      1.00000
     36     -13.4031      1.00000
     37     -13.1750      1.00000
     38     -13.1731      1.00000
     39     -12.9787      1.00000
     40     -12.9746      1.00000
     41     -12.6106      1.00000
     42     -12.6089      1.00000
     43     -12.1960      1.00000
     44     -11.5745      1.00000
     45     -11.5407      1.00000
     46     -11.3085      1.00000
     47     -11.2857      1.00000
     48     -11.1403      1.00000
     49     -10.6750      1.00000
     50     -10.6585      1.00000
     51     -10.5493      1.00000
     52     -10.3210      1.00000
     53     -10.3161      1.00000
     54     -10.1675      1.00000
     55     -10.1143      1.00000
     56     -10.1108      1.00000
     57      -9.7959      1.00000
     58      -9.7625      1.00000
     59      -9.7500      1.00000
     60      -9.6984      1.00000
     61      -9.6953      1.00000
     62      -9.6597      1.00000
     63      -9.3525      1.00000
     64      -9.3498      1.00000
     65      -9.3139      1.00000
     66      -9.0389      1.00000
     67      -8.9605      1.00000
     68      -8.9476      1.00000
     69      -8.7971      1.00000
     70      -8.5928      1.00000
     71      -8.5563      1.00000
     72      -8.3965      1.00000
     73      -8.3628      1.00000
     74      -8.3234      1.00000
     75      -8.3052      1.00000
     76      -8.2583      1.00000
     77      -8.2549      1.00000
     78      -8.2354      1.00000
     79      -7.9043      1.00000
     80      -7.6504      1.00000
     81      -7.5476      1.00000
     82      -7.3844      1.00000
     83      -7.3490      1.00000
     84      -7.2297      1.00000
     85      -7.0953      1.00000
     86      -7.0387      1.00000
     87      -6.9324      1.00000
     88      -6.8485      1.00000
     89      -6.6118      1.00000
     90      -6.5579      1.00000
     91      -6.2688      1.00000
     92      -6.0422      1.00000
     93      -5.9501      1.00000
     94      -5.6612      1.00000
     95      -5.6218      1.00000
     96      -5.4611      1.00000
     97      -5.3183      1.00000
     98      -5.2778      1.00000
     99      -5.2129      1.00000
    100      -5.1931      1.00000
    101      -4.5057      1.00000
    102      -4.2057      1.00000
    103      -4.0572      1.00000
    104      -3.9892      1.00000
    105      -3.6932      1.00000
    106      -3.4947      1.00000
    107      -1.9470      0.00000
    108      -1.8963      0.00000
    109      -1.3389      0.00000
    110      -1.0853      0.00000
    111      -1.0592      0.00000
    112      -0.8007      0.00000
    113      -0.6782      0.00000
    114      -0.6469      0.00000
    115      -0.6086      0.00000
    116      -0.1100      0.00000
    117       0.2139      0.00000
    118       0.3275      0.00000
    119       0.6866      0.00000
    120       0.8811      0.00000
    121       1.1232      0.00000
    122       1.1972      0.00000
    123       1.3208      0.00000
    124       1.4077      0.00000
    125       1.5516      0.00000
    126       1.5751      0.00000
    127       1.6707      0.00000
    128       1.8113      0.00000
    129       1.8533      0.00000
    130       2.0250      0.00000
    131       2.0865      0.00000
    132       2.2900      0.00000
    133       2.3475      0.00000
    134       2.3779      0.00000
    135       2.5338      0.00000
    136       2.6218      0.00000
    137       2.7148      0.00000
    138       2.7200      0.00000
    139       2.7841      0.00000
    140       2.8716      0.00000
    141       3.0316      0.00000
    142       3.0441      0.00000
    143       3.1525      0.00000
    144       3.2506      0.00000
    145       3.3371      0.00000
    146       3.3940      0.00000
    147       3.4171      0.00000
    148       3.5617      0.00000
    149       3.5740      0.00000
    150       3.5825      0.00000
    151       3.6448      0.00000
    152       3.6697      0.00000
    153       3.7547      0.00000
    154       3.7616      0.00000
    155       3.7798      0.00000
    156       3.8570      0.00000
    157       3.9112      0.00000
    158       3.9597      0.00000
    159       4.2060      0.00000
    160       4.2520      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3146      1.00000
      2     -21.9598      1.00000
      3     -21.8912      1.00000
      4     -21.3781      1.00000
      5     -21.3493      1.00000
      6     -20.8369      1.00000
      7     -20.7721      1.00000
      8     -20.6215      1.00000
      9     -20.0756      1.00000
     10     -20.0691      1.00000
     11     -19.7140      1.00000
     12     -19.6902      1.00000
     13     -18.9946      1.00000
     14     -18.9878      1.00000
     15     -18.6389      1.00000
     16     -18.6221      1.00000
     17     -18.4599      1.00000
     18     -17.6730      1.00000
     19     -17.6229      1.00000
     20     -17.6199      1.00000
     21     -17.5784      1.00000
     22     -17.1248      1.00000
     23     -17.1029      1.00000
     24     -16.9606      1.00000
     25     -16.0001      1.00000
     26     -15.9270      1.00000
     27     -15.5837      1.00000
     28     -15.5830      1.00000
     29     -15.2851      1.00000
     30     -14.8621      1.00000
     31     -14.8348      1.00000
     32     -14.5768      1.00000
     33     -14.5356      1.00000
     34     -14.1669      1.00000
     35     -14.1535      1.00000
     36     -13.1464      1.00000
     37     -13.0979      1.00000
     38     -13.0275      1.00000
     39     -13.0183      1.00000
     40     -12.7077      1.00000
     41     -12.7027      1.00000
     42     -12.3392      1.00000
     43     -12.3081      1.00000
     44     -11.6341      1.00000
     45     -11.6211      1.00000
     46     -11.5703      1.00000
     47     -10.9476      1.00000
     48     -10.9148      1.00000
     49     -10.6290      1.00000
     50     -10.6234      1.00000
     51     -10.5451      1.00000
     52     -10.4980      1.00000
     53     -10.4974      1.00000
     54     -10.4382      1.00000
     55     -10.3583      1.00000
     56     -10.0966      1.00000
     57      -9.9015      1.00000
     58      -9.6063      1.00000
     59      -9.5543      1.00000
     60      -9.4507      1.00000
     61      -9.4105      1.00000
     62      -9.4030      1.00000
     63      -9.3754      1.00000
     64      -9.3753      1.00000
     65      -9.2851      1.00000
     66      -9.1675      1.00000
     67      -9.1419      1.00000
     68      -9.1137      1.00000
     69      -8.8635      1.00000
     70      -8.8555      1.00000
     71      -8.8132      1.00000
     72      -8.5952      1.00000
     73      -8.4779      1.00000
     74      -8.1973      1.00000
     75      -8.1622      1.00000
     76      -8.0085      1.00000
     77      -7.9601      1.00000
     78      -7.8483      1.00000
     79      -7.8396      1.00000
     80      -7.7032      1.00000
     81      -7.6961      1.00000
     82      -7.6217      1.00000
     83      -7.4475      1.00000
     84      -7.3010      1.00000
     85      -7.2523      1.00000
     86      -6.9050      1.00000
     87      -6.8921      1.00000
     88      -6.5880      1.00000
     89      -6.5502      1.00000
     90      -6.4052      1.00000
     91      -6.2517      1.00000
     92      -6.2327      1.00000
     93      -6.2047      1.00000
     94      -6.0214      1.00000
     95      -5.5487      1.00000
     96      -5.4871      1.00000
     97      -5.3483      1.00000
     98      -5.2188      1.00000
     99      -4.9787      1.00000
    100      -4.7299      1.00000
    101      -4.6769      1.00000
    102      -4.3867      1.00000
    103      -4.2011      1.00000
    104      -3.8691      1.00000
    105      -3.5460      1.00000
    106      -3.5062      1.00000
    107      -2.2570      0.00000
    108      -1.4556      0.00000
    109      -1.3729      0.00000
    110      -1.2418      0.00000
    111      -1.0986      0.00000
    112      -0.9454      0.00000
    113      -0.8643      0.00000
    114      -0.8035      0.00000
    115      -0.1417      0.00000
    116       0.1090      0.00000
    117       0.2399      0.00000
    118       0.3758      0.00000
    119       0.6439      0.00000
    120       0.8339      0.00000
    121       0.9354      0.00000
    122       1.0592      0.00000
    123       1.2207      0.00000
    124       1.4410      0.00000
    125       1.5457      0.00000
    126       1.7651      0.00000
    127       1.7838      0.00000
    128       1.8530      0.00000
    129       1.9443      0.00000
    130       2.0229      0.00000
    131       2.1623      0.00000
    132       2.1724      0.00000
    133       2.3959      0.00000
    134       2.4039      0.00000
    135       2.5014      0.00000
    136       2.6025      0.00000
    137       2.6297      0.00000
    138       2.6797      0.00000
    139       2.7626      0.00000
    140       2.8331      0.00000
    141       2.9378      0.00000
    142       3.0654      0.00000
    143       3.1757      0.00000
    144       3.1880      0.00000
    145       3.2141      0.00000
    146       3.2915      0.00000
    147       3.2954      0.00000
    148       3.4524      0.00000
    149       3.4798      0.00000
    150       3.6669      0.00000
    151       3.6998      0.00000
    152       3.7077      0.00000
    153       3.8504      0.00000
    154       3.9015      0.00000
    155       3.9363      0.00000
    156       3.9608      0.00000
    157       3.9898      0.00000
    158       4.0210      0.00000
    159       4.0344      0.00000
    160       4.0507      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2073      1.00000
      2     -22.1150      1.00000
      3     -21.9542      1.00000
      4     -21.4018      1.00000
      5     -21.0469      1.00000
      6     -21.0116      1.00000
      7     -20.4977      1.00000
      8     -20.4591      1.00000
      9     -20.2926      1.00000
     10     -20.2731      1.00000
     11     -19.9550      1.00000
     12     -19.8896      1.00000
     13     -18.8802      1.00000
     14     -18.8117      1.00000
     15     -18.3507      1.00000
     16     -18.3043      1.00000
     17     -18.1512      1.00000
     18     -18.1338      1.00000
     19     -17.8249      1.00000
     20     -17.7868      1.00000
     21     -17.2501      1.00000
     22     -17.2400      1.00000
     23     -17.1633      1.00000
     24     -17.1310      1.00000
     25     -16.1074      1.00000
     26     -15.8830      1.00000
     27     -15.8677      1.00000
     28     -15.8332      1.00000
     29     -15.2351      1.00000
     30     -14.5530      1.00000
     31     -14.5257      1.00000
     32     -14.2789      1.00000
     33     -13.9617      1.00000
     34     -13.9546      1.00000
     35     -13.8187      1.00000
     36     -13.8034      1.00000
     37     -13.6134      1.00000
     38     -13.5691      1.00000
     39     -13.3671      1.00000
     40     -12.6321      1.00000
     41     -12.1799      1.00000
     42     -12.1311      1.00000
     43     -12.0702      1.00000
     44     -12.0175      1.00000
     45     -11.6682      1.00000
     46     -11.6546      1.00000
     47     -11.1376      1.00000
     48     -11.1171      1.00000
     49     -10.7934      1.00000
     50     -10.7292      1.00000
     51     -10.5243      1.00000
     52     -10.2066      1.00000
     53     -10.2042      1.00000
     54     -10.1626      1.00000
     55     -10.0157      1.00000
     56     -10.0022      1.00000
     57      -9.9890      1.00000
     58      -9.7995      1.00000
     59      -9.7961      1.00000
     60      -9.7614      1.00000
     61      -9.7568      1.00000
     62      -9.4533      1.00000
     63      -9.4147      1.00000
     64      -9.0781      1.00000
     65      -9.0704      1.00000
     66      -9.0399      1.00000
     67      -8.9544      1.00000
     68      -8.8754      1.00000
     69      -8.7106      1.00000
     70      -8.6983      1.00000
     71      -8.5645      1.00000
     72      -8.5418      1.00000
     73      -8.4972      1.00000
     74      -8.4613      1.00000
     75      -8.4521      1.00000
     76      -8.2582      1.00000
     77      -8.1239      1.00000
     78      -8.0413      1.00000
     79      -7.9144      1.00000
     80      -7.8614      1.00000
     81      -7.6143      1.00000
     82      -7.5479      1.00000
     83      -7.4905      1.00000
     84      -7.2683      1.00000
     85      -6.9939      1.00000
     86      -6.9230      1.00000
     87      -6.8810      1.00000
     88      -6.5325      1.00000
     89      -6.4859      1.00000
     90      -6.4601      1.00000
     91      -6.4091      1.00000
     92      -5.9823      1.00000
     93      -5.8956      1.00000
     94      -5.7834      1.00000
     95      -5.7586      1.00000
     96      -5.4303      1.00000
     97      -5.3274      1.00000
     98      -5.2294      1.00000
     99      -5.2166      1.00000
    100      -5.1877      1.00000
    101      -4.6902      1.00000
    102      -4.4203      1.00000
    103      -4.2075      1.00000
    104      -3.8321      1.00000
    105      -3.5252      1.00000
    106      -3.2741      1.00000
    107      -2.5316      0.00000
    108      -1.4575      0.00000
    109      -1.2682      0.00000
    110      -1.2033      0.00000
    111      -1.1725      0.00000
    112      -0.7200      0.00000
    113      -0.5045      0.00000
    114      -0.4130      0.00000
    115      -0.3407      0.00000
    116      -0.1466      0.00000
    117      -0.0040      0.00000
    118       0.1916      0.00000
    119       0.5590      0.00000
    120       0.6113      0.00000
    121       0.7882      0.00000
    122       0.9021      0.00000
    123       1.1221      0.00000
    124       1.4811      0.00000
    125       1.6396      0.00000
    126       1.8238      0.00000
    127       1.9147      0.00000
    128       2.0816      0.00000
    129       2.0968      0.00000
    130       2.1088      0.00000
    131       2.1675      0.00000
    132       2.2779      0.00000
    133       2.3020      0.00000
    134       2.4570      0.00000
    135       2.5596      0.00000
    136       2.6490      0.00000
    137       2.8410      0.00000
    138       2.8678      0.00000
    139       2.8859      0.00000
    140       2.9865      0.00000
    141       3.0205      0.00000
    142       3.1327      0.00000
    143       3.1493      0.00000
    144       3.2171      0.00000
    145       3.2664      0.00000
    146       3.2761      0.00000
    147       3.2936      0.00000
    148       3.3371      0.00000
    149       3.3915      0.00000
    150       3.4222      0.00000
    151       3.5084      0.00000
    152       3.6028      0.00000
    153       3.6666      0.00000
    154       3.6880      0.00000
    155       3.7625      0.00000
    156       3.8851      0.00000
    157       3.9237      0.00000
    158       3.9914      0.00000
    159       4.1125      0.00000
    160       4.2188      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3144      1.00000
      2     -21.9615      1.00000
      3     -21.8896      1.00000
      4     -21.3816      1.00000
      5     -21.3459      1.00000
      6     -20.8368      1.00000
      7     -20.7706      1.00000
      8     -20.6225      1.00000
      9     -20.0869      1.00000
     10     -20.0584      1.00000
     11     -19.7157      1.00000
     12     -19.6876      1.00000
     13     -19.0074      1.00000
     14     -18.9765      1.00000
     15     -18.6480      1.00000
     16     -18.6144      1.00000
     17     -18.4584      1.00000
     18     -17.6579      1.00000
     19     -17.6450      1.00000
     20     -17.6090      1.00000
     21     -17.5761      1.00000
     22     -17.1354      1.00000
     23     -17.0951      1.00000
     24     -16.9642      1.00000
     25     -16.0064      1.00000
     26     -15.9205      1.00000
     27     -15.5968      1.00000
     28     -15.5733      1.00000
     29     -15.2780      1.00000
     30     -14.8749      1.00000
     31     -14.8275      1.00000
     32     -14.5731      1.00000
     33     -14.5353      1.00000
     34     -14.1617      1.00000
     35     -14.1580      1.00000
     36     -13.1602      1.00000
     37     -13.0941      1.00000
     38     -13.0213      1.00000
     39     -13.0171      1.00000
     40     -12.7163      1.00000
     41     -12.6931      1.00000
     42     -12.3383      1.00000
     43     -12.3112      1.00000
     44     -11.6301      1.00000
     45     -11.6206      1.00000
     46     -11.5678      1.00000
     47     -10.9384      1.00000
     48     -10.9211      1.00000
     49     -10.6660      1.00000
     50     -10.5881      1.00000
     51     -10.5714      1.00000
     52     -10.4985      1.00000
     53     -10.4869      1.00000
     54     -10.4379      1.00000
     55     -10.3546      1.00000
     56     -10.1011      1.00000
     57      -9.8957      1.00000
     58      -9.6074      1.00000
     59      -9.5496      1.00000
     60      -9.4517      1.00000
     61      -9.4159      1.00000
     62      -9.4076      1.00000
     63      -9.3782      1.00000
     64      -9.3709      1.00000
     65      -9.2657      1.00000
     66      -9.1635      1.00000
     67      -9.1400      1.00000
     68      -9.1136      1.00000
     69      -8.8642      1.00000
     70      -8.8585      1.00000
     71      -8.8004      1.00000
     72      -8.5942      1.00000
     73      -8.5244      1.00000
     74      -8.1912      1.00000
     75      -8.1693      1.00000
     76      -8.0748      1.00000
     77      -7.8573      1.00000
     78      -7.8359      1.00000
     79      -7.8212      1.00000
     80      -7.7095      1.00000
     81      -7.6945      1.00000
     82      -7.5974      1.00000
     83      -7.5282      1.00000
     84      -7.3495      1.00000
     85      -7.1686      1.00000
     86      -6.9034      1.00000
     87      -6.8953      1.00000
     88      -6.5913      1.00000
     89      -6.5505      1.00000
     90      -6.4053      1.00000
     91      -6.3015      1.00000
     92      -6.2459      1.00000
     93      -6.1997      1.00000
     94      -6.0025      1.00000
     95      -5.5300      1.00000
     96      -5.4647      1.00000
     97      -5.3130      1.00000
     98      -5.2087      1.00000
     99      -5.0448      1.00000
    100      -4.7220      1.00000
    101      -4.6698      1.00000
    102      -4.4224      1.00000
    103      -4.1932      1.00000
    104      -3.8407      1.00000
    105      -3.6322      1.00000
    106      -3.4152      1.00000
    107      -2.2922      0.00000
    108      -1.5093      0.00000
    109      -1.2709      0.00000
    110      -1.2626      0.00000
    111      -1.0350      0.00000
    112      -0.9792      0.00000
    113      -0.8685      0.00000
    114      -0.8000      0.00000
    115      -0.2632      0.00000
    116       0.2030      0.00000
    117       0.2382      0.00000
    118       0.3582      0.00000
    119       0.6844      0.00000
    120       0.8919      0.00000
    121       0.9218      0.00000
    122       1.0344      0.00000
    123       1.1599      0.00000
    124       1.5041      0.00000
    125       1.5414      0.00000
    126       1.6987      0.00000
    127       1.7765      0.00000
    128       1.8230      0.00000
    129       1.9395      0.00000
    130       1.9644      0.00000
    131       2.1599      0.00000
    132       2.2535      0.00000
    133       2.3947      0.00000
    134       2.4084      0.00000
    135       2.5044      0.00000
    136       2.5972      0.00000
    137       2.6165      0.00000
    138       2.6873      0.00000
    139       2.7446      0.00000
    140       2.8495      0.00000
    141       3.0274      0.00000
    142       3.0604      0.00000
    143       3.1761      0.00000
    144       3.2019      0.00000
    145       3.2190      0.00000
    146       3.2779      0.00000
    147       3.3207      0.00000
    148       3.4274      0.00000
    149       3.5050      0.00000
    150       3.6888      0.00000
    151       3.6986      0.00000
    152       3.7150      0.00000
    153       3.8129      0.00000
    154       3.8785      0.00000
    155       3.9107      0.00000
    156       3.9723      0.00000
    157       3.9804      0.00000
    158       4.0195      0.00000
    159       4.0473      0.00000
    160       4.0857      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3866      1.00000
      2     -21.8279      1.00000
      3     -21.6385      1.00000
      4     -21.6039      1.00000
      5     -21.2760      1.00000
      6     -21.2293      1.00000
      7     -21.0539      1.00000
      8     -20.1688      1.00000
      9     -20.1230      1.00000
     10     -19.6130      1.00000
     11     -19.5895      1.00000
     12     -19.4133      1.00000
     13     -19.0920      1.00000
     14     -19.0527      1.00000
     15     -19.0494      1.00000
     16     -19.0376      1.00000
     17     -18.3634      1.00000
     18     -18.3459      1.00000
     19     -18.0147      1.00000
     20     -17.0703      1.00000
     21     -17.0217      1.00000
     22     -16.9476      1.00000
     23     -16.9345      1.00000
     24     -16.4741      1.00000
     25     -16.4596      1.00000
     26     -15.6071      1.00000
     27     -15.6062      1.00000
     28     -15.2465      1.00000
     29     -15.2373      1.00000
     30     -15.1897      1.00000
     31     -15.0986      1.00000
     32     -15.0672      1.00000
     33     -14.6962      1.00000
     34     -14.6951      1.00000
     35     -13.7241      1.00000
     36     -13.7218      1.00000
     37     -13.2337      1.00000
     38     -12.6220      1.00000
     39     -12.5794      1.00000
     40     -12.4520      1.00000
     41     -12.4476      1.00000
     42     -12.1020      1.00000
     43     -12.1000      1.00000
     44     -11.7191      1.00000
     45     -11.6805      1.00000
     46     -11.2432      1.00000
     47     -11.2239      1.00000
     48     -11.0153      1.00000
     49     -11.0046      1.00000
     50     -10.9254      1.00000
     51     -10.8967      1.00000
     52     -10.6330      1.00000
     53     -10.1708      1.00000
     54     -10.1467      1.00000
     55     -10.0844      1.00000
     56      -9.9889      1.00000
     57      -9.6946      1.00000
     58      -9.6871      1.00000
     59      -9.6686      1.00000
     60      -9.5908      1.00000
     61      -9.5654      1.00000
     62      -9.5512      1.00000
     63      -9.3114      1.00000
     64      -9.2984      1.00000
     65      -9.2808      1.00000
     66      -9.2411      1.00000
     67      -9.1203      1.00000
     68      -9.1116      1.00000
     69      -9.1085      1.00000
     70      -8.9375      1.00000
     71      -8.8731      1.00000
     72      -8.6041      1.00000
     73      -8.5844      1.00000
     74      -8.2693      1.00000
     75      -8.1007      1.00000
     76      -7.8657      1.00000
     77      -7.8419      1.00000
     78      -7.7891      1.00000
     79      -7.7632      1.00000
     80      -7.7552      1.00000
     81      -7.4455      1.00000
     82      -7.3330      1.00000
     83      -7.3227      1.00000
     84      -7.2650      1.00000
     85      -7.1619      1.00000
     86      -7.0136      1.00000
     87      -6.9863      1.00000
     88      -6.7165      1.00000
     89      -6.6895      1.00000
     90      -6.6302      1.00000
     91      -6.5902      1.00000
     92      -6.1171      1.00000
     93      -6.0583      1.00000
     94      -6.0429      1.00000
     95      -6.0269      1.00000
     96      -5.7471      1.00000
     97      -4.9722      1.00000
     98      -4.8375      1.00000
     99      -4.7086      1.00000
    100      -4.6723      1.00000
    101      -4.4822      1.00000
    102      -4.3484      1.00000
    103      -4.1120      1.00000
    104      -4.0544      1.00000
    105      -3.7539      1.00000
    106      -3.4627      1.00000
    107      -1.9485      0.00000
    108      -1.7728      0.00000
    109      -1.4802      0.00000
    110      -1.3565      0.00000
    111      -1.3365      0.00000
    112      -1.2932      0.00000
    113      -0.6798      0.00000
    114      -0.4726      0.00000
    115      -0.2352      0.00000
    116       0.0487      0.00000
    117       0.5802      0.00000
    118       0.6925      0.00000
    119       0.7673      0.00000
    120       1.0188      0.00000
    121       1.0957      0.00000
    122       1.1748      0.00000
    123       1.2465      0.00000
    124       1.3326      0.00000
    125       1.4144      0.00000
    126       1.5770      0.00000
    127       1.7464      0.00000
    128       1.8373      0.00000
    129       1.8542      0.00000
    130       1.8822      0.00000
    131       2.0199      0.00000
    132       2.2010      0.00000
    133       2.2297      0.00000
    134       2.2637      0.00000
    135       2.4685      0.00000
    136       2.5928      0.00000
    137       2.6230      0.00000
    138       2.7307      0.00000
    139       2.7545      0.00000
    140       2.8305      0.00000
    141       2.8364      0.00000
    142       2.8392      0.00000
    143       2.9196      0.00000
    144       3.0549      0.00000
    145       3.2677      0.00000
    146       3.3402      0.00000
    147       3.3792      0.00000
    148       3.3909      0.00000
    149       3.4123      0.00000
    150       3.5593      0.00000
    151       3.6057      0.00000
    152       3.6657      0.00000
    153       3.7176      0.00000
    154       3.8838      0.00000
    155       3.8917      0.00000
    156       3.9296      0.00000
    157       4.0752      0.00000
    158       4.1775      0.00000
    159       4.2495      0.00000
    160       4.3755      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2064      1.00000
      2     -22.1164      1.00000
      3     -21.9539      1.00000
      4     -21.4018      1.00000
      5     -21.0433      1.00000
      6     -21.0153      1.00000
      7     -20.4934      1.00000
      8     -20.4635      1.00000
      9     -20.2836      1.00000
     10     -20.2817      1.00000
     11     -19.9539      1.00000
     12     -19.8912      1.00000
     13     -18.8807      1.00000
     14     -18.8136      1.00000
     15     -18.3355      1.00000
     16     -18.3164      1.00000
     17     -18.1468      1.00000
     18     -18.1393      1.00000
     19     -17.8137      1.00000
     20     -17.7955      1.00000
     21     -17.2563      1.00000
     22     -17.2364      1.00000
     23     -17.1586      1.00000
     24     -17.1334      1.00000
     25     -16.1139      1.00000
     26     -15.8775      1.00000
     27     -15.8670      1.00000
     28     -15.8389      1.00000
     29     -15.2294      1.00000
     30     -14.5485      1.00000
     31     -14.5304      1.00000
     32     -14.2743      1.00000
     33     -13.9725      1.00000
     34     -13.9498      1.00000
     35     -13.8236      1.00000
     36     -13.8011      1.00000
     37     -13.6024      1.00000
     38     -13.5767      1.00000
     39     -13.3673      1.00000
     40     -12.6363      1.00000
     41     -12.1674      1.00000
     42     -12.1404      1.00000
     43     -12.0653      1.00000
     44     -12.0186      1.00000
     45     -11.6638      1.00000
     46     -11.6588      1.00000
     47     -11.1351      1.00000
     48     -11.1237      1.00000
     49     -10.7879      1.00000
     50     -10.7319      1.00000
     51     -10.5311      1.00000
     52     -10.2069      1.00000
     53     -10.2005      1.00000
     54     -10.1683      1.00000
     55     -10.0204      1.00000
     56      -9.9920      1.00000
     57      -9.9886      1.00000
     58      -9.8036      1.00000
     59      -9.7945      1.00000
     60      -9.7642      1.00000
     61      -9.7551      1.00000
     62      -9.4522      1.00000
     63      -9.4146      1.00000
     64      -9.0824      1.00000
     65      -9.0447      1.00000
     66      -9.0240      1.00000
     67      -8.9684      1.00000
     68      -8.8951      1.00000
     69      -8.7073      1.00000
     70      -8.6970      1.00000
     71      -8.5581      1.00000
     72      -8.5471      1.00000
     73      -8.4762      1.00000
     74      -8.4585      1.00000
     75      -8.4552      1.00000
     76      -8.3052      1.00000
     77      -8.0932      1.00000
     78      -8.0873      1.00000
     79      -7.9259      1.00000
     80      -7.8308      1.00000
     81      -7.5991      1.00000
     82      -7.5357      1.00000
     83      -7.4454      1.00000
     84      -7.3141      1.00000
     85      -6.9930      1.00000
     86      -6.9193      1.00000
     87      -6.8810      1.00000
     88      -6.5270      1.00000
     89      -6.5136      1.00000
     90      -6.4790      1.00000
     91      -6.4192      1.00000
     92      -5.9254      1.00000
     93      -5.9043      1.00000
     94      -5.7874      1.00000
     95      -5.7735      1.00000
     96      -5.3681      1.00000
     97      -5.3618      1.00000
     98      -5.2196      1.00000
     99      -5.2143      1.00000
    100      -5.1977      1.00000
    101      -4.7182      1.00000
    102      -4.4404      1.00000
    103      -4.1893      1.00000
    104      -3.8184      1.00000
    105      -3.5615      1.00000
    106      -3.2221      1.00000
    107      -2.5622      0.00000
    108      -1.4630      0.00000
    109      -1.2685      0.00000
    110      -1.1854      0.00000
    111      -1.1840      0.00000
    112      -0.6457      0.00000
    113      -0.5521      0.00000
    114      -0.4152      0.00000
    115      -0.3486      0.00000
    116      -0.0794      0.00000
    117      -0.0644      0.00000
    118       0.1239      0.00000
    119       0.5923      0.00000
    120       0.6244      0.00000
    121       0.8515      0.00000
    122       0.9727      0.00000
    123       0.9976      0.00000
    124       1.4903      0.00000
    125       1.6766      0.00000
    126       1.7354      0.00000
    127       1.8452      0.00000
    128       2.0890      0.00000
    129       2.1029      0.00000
    130       2.1656      0.00000
    131       2.2080      0.00000
    132       2.2426      0.00000
    133       2.3252      0.00000
    134       2.4871      0.00000
    135       2.4876      0.00000
    136       2.6526      0.00000
    137       2.8510      0.00000
    138       2.8565      0.00000
    139       2.9443      0.00000
    140       2.9799      0.00000
    141       3.0232      0.00000
    142       3.1284      0.00000
    143       3.1631      0.00000
    144       3.2313      0.00000
    145       3.2350      0.00000
    146       3.2726      0.00000
    147       3.2933      0.00000
    148       3.3443      0.00000
    149       3.3676      0.00000
    150       3.5330      0.00000
    151       3.5463      0.00000
    152       3.6315      0.00000
    153       3.6328      0.00000
    154       3.6664      0.00000
    155       3.6845      0.00000
    156       3.8858      0.00000
    157       3.9296      0.00000
    158       4.0286      0.00000
    159       4.0550      0.00000
    160       4.1574      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2802      1.00000
      2     -22.0758      1.00000
      3     -21.7173      1.00000
      4     -21.6784      1.00000
      5     -20.9799      1.00000
      6     -20.9326      1.00000
      7     -20.6091      1.00000
      8     -20.5762      1.00000
      9     -20.5632      1.00000
     10     -20.0297      1.00000
     11     -19.5094      1.00000
     12     -19.4820      1.00000
     13     -19.3079      1.00000
     14     -19.2971      1.00000
     15     -18.4473      1.00000
     16     -18.4044      1.00000
     17     -17.9244      1.00000
     18     -17.9059      1.00000
     19     -17.7636      1.00000
     20     -17.7192      1.00000
     21     -17.4387      1.00000
     22     -17.4220      1.00000
     23     -17.3365      1.00000
     24     -16.4702      1.00000
     25     -16.4572      1.00000
     26     -15.9682      1.00000
     27     -15.4082      1.00000
     28     -15.4078      1.00000
     29     -15.0943      1.00000
     30     -15.0897      1.00000
     31     -14.8498      1.00000
     32     -14.8410      1.00000
     33     -14.2954      1.00000
     34     -14.2530      1.00000
     35     -13.4421      1.00000
     36     -13.3996      1.00000
     37     -13.1731      1.00000
     38     -13.1719      1.00000
     39     -12.9825      1.00000
     40     -12.9745      1.00000
     41     -12.6081      1.00000
     42     -12.6076      1.00000
     43     -12.1954      1.00000
     44     -11.5769      1.00000
     45     -11.5359      1.00000
     46     -11.3110      1.00000
     47     -11.2807      1.00000
     48     -11.1407      1.00000
     49     -10.6893      1.00000
     50     -10.6621      1.00000
     51     -10.5435      1.00000
     52     -10.3203      1.00000
     53     -10.3132      1.00000
     54     -10.1736      1.00000
     55     -10.1204      1.00000
     56     -10.1058      1.00000
     57      -9.8090      1.00000
     58      -9.7511      1.00000
     59      -9.7494      1.00000
     60      -9.7008      1.00000
     61      -9.6968      1.00000
     62      -9.6446      1.00000
     63      -9.3517      1.00000
     64      -9.3488      1.00000
     65      -9.3159      1.00000
     66      -9.0256      1.00000
     67      -8.9602      1.00000
     68      -8.9557      1.00000
     69      -8.7735      1.00000
     70      -8.5896      1.00000
     71      -8.5855      1.00000
     72      -8.4212      1.00000
     73      -8.3478      1.00000
     74      -8.3211      1.00000
     75      -8.3001      1.00000
     76      -8.2646      1.00000
     77      -8.2525      1.00000
     78      -8.2383      1.00000
     79      -7.9206      1.00000
     80      -7.7339      1.00000
     81      -7.3781      1.00000
     82      -7.3497      1.00000
     83      -7.3227      1.00000
     84      -7.2168      1.00000
     85      -7.1589      1.00000
     86      -7.0645      1.00000
     87      -6.9597      1.00000
     88      -6.9042      1.00000
     89      -6.6122      1.00000
     90      -6.5560      1.00000
     91      -6.2699      1.00000
     92      -5.9956      1.00000
     93      -5.9577      1.00000
     94      -5.6736      1.00000
     95      -5.6472      1.00000
     96      -5.3865      1.00000
     97      -5.3140      1.00000
     98      -5.2925      1.00000
     99      -5.2110      1.00000
    100      -5.1995      1.00000
    101      -4.5095      1.00000
    102      -4.3347      1.00000
    103      -3.9963      1.00000
    104      -3.8846      1.00000
    105      -3.7914      1.00000
    106      -3.4412      1.00000
    107      -2.0323      0.00000
    108      -1.8655      0.00000
    109      -1.2179      0.00000
    110      -1.1854      0.00000
    111      -1.0361      0.00000
    112      -0.7728      0.00000
    113      -0.6779      0.00000
    114      -0.6602      0.00000
    115      -0.6103      0.00000
    116      -0.1042      0.00000
    117       0.2213      0.00000
    118       0.2375      0.00000
    119       0.7634      0.00000
    120       0.9764      0.00000
    121       1.0725      0.00000
    122       1.2366      0.00000
    123       1.2490      0.00000
    124       1.3307      0.00000
    125       1.5694      0.00000
    126       1.5845      0.00000
    127       1.6831      0.00000
    128       1.7928      0.00000
    129       1.9355      0.00000
    130       1.9358      0.00000
    131       2.0394      0.00000
    132       2.2546      0.00000
    133       2.3362      0.00000
    134       2.4115      0.00000
    135       2.5206      0.00000
    136       2.6267      0.00000
    137       2.7301      0.00000
    138       2.7810      0.00000
    139       2.8330      0.00000
    140       2.8560      0.00000
    141       3.0288      0.00000
    142       3.0916      0.00000
    143       3.1374      0.00000
    144       3.2028      0.00000
    145       3.3396      0.00000
    146       3.3973      0.00000
    147       3.4937      0.00000
    148       3.5198      0.00000
    149       3.5804      0.00000
    150       3.6061      0.00000
    151       3.6150      0.00000
    152       3.7241      0.00000
    153       3.7284      0.00000
    154       3.7466      0.00000
    155       3.7807      0.00000
    156       3.8461      0.00000
    157       3.9875      0.00000
    158       4.0775      0.00000
    159       4.1608      0.00000
    160       4.1972      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0432   -7.3915    4.1979   -1.2766   -0.2392   17.5972    0.1449   -0.5324    0.6336   -0.4647
x    -3.0916   -0.0374   -0.0633    0.0615   -0.0090   -2.9778   -0.0108   -0.0069    0.0049    0.0016
x    -0.0966    0.0018   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0432    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0941   -0.0086    0.0374    0.0377
y    -0.0460   -3.2467   -0.5390   -0.1639   -1.1802   -0.6055
z   204.0432    1.1111   -0.2981    0.0468    0.0113    0.0798   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1105    0.0006    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7427
z    -0.2332    0.2172   -0.0492    0.0508   -0.0944    0.0011
 total charge-density along one line
x   212.0000  -10.2198    6.1460   -2.0865   -0.4749   19.5147   -0.9989    0.4748   -0.0452   -0.1256
x    -2.6454   -0.0276   -0.0610    0.0845   -0.0532   -2.2249   -0.0248   -0.0025    0.0052    0.0021
x    -0.0897    0.0060   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2198    6.1459   -2.0865   -0.4749   19.5147   -0.9989    0.4748   -0.0452   -0.1256
y    -2.6454   -0.0276   -0.0610    0.0845   -0.0532   -2.2249   -0.0248   -0.0025    0.0052    0.0021
y    -0.0897    0.0060   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3939  189.0726 -170.2965  154.0279 -140.2952  126.5457 -111.2372   94.9842  -79.2569
z    64.9390  -52.1869   41.0821  -31.9381   24.9565  -19.8247   15.8187  -12.3035    9.0973   -6.3855
z     4.3587   -2.9689    1.9862   -1.2104    0.5878   -0.1512   -0.1022    0.2483   -0.3713    0.4908
z    -0.5657    0.5589   -0.4860    0.4016   -0.3476    0.3233   -0.3013    0.2625   -0.2125    0.1685
z    -0.1397    0.1211   -0.1034    0.0835   -0.0654    0.0533   -0.0466    0.0416   -0.0355    0.0289
z    -0.0236    0.0202   -0.0178    0.0154   -0.0127    0.0101   -0.0080    0.0062   -0.0047    0.0034
z    -0.0024    0.0016   -0.0008    0.0000    0.0006   -0.0007    0.0007   -0.0006    0.0007   -0.0008
z     0.0007   -0.0004    0.0001    0.0000   -0.0001    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0003   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.839   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.101   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.839   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.101   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.057   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.213   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.095   0.000   0.000
  0.000   0.213   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.172  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.057   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.132   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.157   0.000  -0.192   0.000   0.000   0.000   0.011   0.000  -0.052  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.132   0.000   0.413   0.000   0.077   0.585  -0.237   0.000   0.059   0.000   0.000
  0.000  -0.311   0.000   0.630   0.000   0.000  -0.192   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.070   0.006
 -0.025   0.000   0.029   0.000   0.027  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.419   0.000   0.284   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.237   0.000  -0.047  -0.419   0.175   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.094   0.000   0.059   0.000   0.053   0.284  -0.035   0.000   0.262   0.000   0.000
  0.000  -0.116   0.000   0.172   0.000   0.000  -0.052   0.000   0.070   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.260   8.030   8.935
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.646
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.866  89.412   8.030 142.308
 


 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  117.10: CPU time   59.25
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  459.90: CPU time  230.44
    STRESS:  VPU time 1361.84: CPU time  684.57
    FORCOR:  VPU time    8.54: CPU time    8.54
    FORHAR:  VPU time    2.29: CPU time    2.28
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force =-0.6118473E-04[-0.220E-03, 0.976E-04]  d Energy =-0.4769771E-04-0.135E-04
 d Force = 0.5933803E+00[ 0.592E+00, 0.594E+00]  d Ewald  = 0.8055441E+01-0.746E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726963 eV

  energy  without entropy=     -471.726963  energy(sigma->0) =     -471.726963
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40816.41  40772.54 -47514.92    -37.99      0.00      0.00
  Hartree  40241.16  40223.50 -39500.34    -15.29      0.00      0.00
  E(xc)     -779.40   -779.69   -807.34     -0.25      0.00      0.00
  Local   -83341.62 -83289.15  84330.03     45.44      0.00      0.00
  n-local   -216.78   -215.64   -203.41      0.71      0.00      0.00
  augment     20.06     22.05     17.82      1.73      0.00      0.00
  Kinetic   3162.06   3175.78   3583.67      3.54      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.45     -0.41     -0.56      0.03      0.00      0.00
  in kB       -0.27     -0.25     -0.34      0.02      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
    12.346855489  0.000683838  0.000000000     0.080989692  0.046753509  0.000000000
    -6.172842166 10.693028212  0.000000000    -0.000005179  0.093515888  0.000000000
     0.000000000  0.000000000 19.980852060     0.000000000  0.000000000  0.050047916

  length of vectors
    12.346855508 12.346855176 19.980852060     0.093515886  0.093515888  0.050047916


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.466E-05 -.492E-04 -.951E+03   0.435E-05 -.277E-04 0.959E+03   0.424E-21 -.839E-24 -.870E+01   0.983E-09 -.482E-08 -.188E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.892E+00 -.253E+01   -.668E-03 0.385E-03 -.192E-02
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.892E+00 -.253E+01   0.668E-03 -.385E-03 -.192E-02
   -.195E+01 0.112E+01 0.146E+02   0.195E+01 -.113E+01 -.146E+02   -.752E-03 0.434E-03 -.295E-01   -.818E-02 0.472E-02 0.601E-02
   0.609E+01 0.704E+01 0.178E+02   -.609E+01 -.706E+01 -.178E+02   0.487E-02 0.110E-01 -.318E-01   0.627E-02 -.187E-01 0.500E-02
   0.111E+02 0.501E+01 0.161E+02   -.111E+02 -.502E+01 -.161E+02   0.220E-01 0.106E-01 -.511E-01   0.282E-02 0.504E-02 0.191E-02
   0.473E+01 -.884E+00 0.135E+02   -.474E+01 0.897E+00 -.135E+02   0.122E-01 -.464E-02 -.173E-01   -.295E-02 -.495E-03 0.632E-03
   -.312E+01 -.255E+01 0.125E+02   0.311E+01 0.255E+01 -.125E+02   0.199E-03 0.575E-02 -.154E-01   0.316E-02 0.399E-02 0.322E-02
   0.651E+00 0.397E+01 0.125E+02   -.654E+00 -.397E+01 -.125E+02   -.488E-02 -.305E-02 -.154E-01   -.188E-02 -.474E-02 0.322E-02
   0.232E+01 0.187E+02 0.234E+02   -.232E+01 -.188E+02 -.234E+02   0.192E-02 0.109E+00 -.465E-01   0.955E-02 0.996E-02 0.248E-02
   0.228E+02 0.213E+02 0.419E+02   -.229E+02 -.216E+02 -.418E+02   0.675E-01 0.264E+00 -.625E-01   -.191E-01 0.811E-03 0.809E-03
   0.266E+02 -.341E+01 0.264E+02   -.269E+02 0.352E+01 -.263E+02   0.274E+00 -.107E+00 -.326E-01   0.392E-02 -.149E-02 -.197E-02
   0.910E+01 -.525E+01 0.145E+02   -.914E+01 0.528E+01 -.145E+02   0.399E-01 -.231E-01 -.131E-01   -.829E-03 0.475E-03 -.119E-02
   0.313E+01 -.365E+01 0.135E+02   -.315E+01 0.366E+01 -.135E+02   0.101E-01 -.829E-02 -.173E-01   -.105E-02 0.280E-02 0.627E-03
   -.586E+01 0.136E+02 0.169E+02   0.586E+01 -.137E+02 -.169E+02   -.264E-02 0.671E-01 -.469E-01   -.407E-02 -.783E-02 -.170E-03
   -.118E+02 0.361E+02 0.478E+02   0.119E+02 -.367E+02 -.481E+02   -.321E-01 0.609E+00 0.298E+00   0.323E-02 -.953E-02 -.700E-03
   0.235E+02 -.136E+02 0.930E+02   -.242E+02 0.139E+02 -.950E+02   0.634E+00 -.366E+00 0.203E+01   -.606E-03 0.348E-03 -.201E-02
   0.163E+02 -.213E+02 0.264E+02   -.165E+02 0.215E+02 -.263E+02   0.230E+00 -.184E+00 -.326E-01   0.325E-02 -.265E-02 -.198E-02
   0.122E+01 -.121E+02 0.161E+02   -.123E+01 0.122E+02 -.161E+02   0.182E-02 -.244E-01 -.511E-01   -.295E-02 -.497E-02 0.190E-02
   -.412E+01 0.192E+01 0.123E+02   0.411E+01 -.193E+01 -.123E+02   -.343E-02 0.915E-02 -.418E-01   0.122E-03 -.972E-03 0.907E-03
   -.192E+02 0.111E+02 0.228E+02   0.192E+02 -.111E+02 -.227E+02   -.476E-01 0.275E-01 -.371E-01   0.244E-02 -.140E-02 -.322E-02
   -.372E+02 -.779E+01 0.478E+02   0.377E+02 0.807E+01 -.481E+02   -.543E+00 -.277E+00 0.298E+00   0.987E-02 0.197E-02 -.697E-03
   -.706E+01 -.304E+02 0.419E+02   0.724E+01 0.306E+02 -.418E+02   -.194E+00 -.190E+00 -.625E-01   -.102E-01 0.161E-01 0.808E-03
   -.305E+01 -.879E+01 0.178E+02   0.307E+01 0.880E+01 -.178E+02   -.711E-02 -.973E-02 -.318E-01   0.193E-01 0.390E-02 0.500E-02
   0.145E+01 -.838E+00 0.127E+02   -.145E+01 0.839E+00 -.127E+02   -.384E-02 0.222E-02 -.222E-01   -.543E-02 0.314E-02 0.499E-02
   -.372E+01 0.260E+01 0.123E+02   0.373E+01 -.259E+01 -.123E+02   -.964E-02 -.161E-02 -.418E-01   0.903E-03 0.382E-03 0.910E-03
   -.147E+02 -.175E+01 0.169E+02   0.148E+02 0.178E+01 -.169E+02   -.595E-01 -.313E-01 -.469E-01   0.474E-02 0.744E-02 -.165E-03
   -.150E+02 -.114E+02 0.234E+02   0.151E+02 0.114E+02 -.234E+02   -.932E-01 -.560E-01 -.465E-01   -.384E-02 -.133E-01 0.249E-02
   0.305E+01 0.879E+01 0.178E+02   -.307E+01 -.880E+01 -.178E+02   0.711E-02 0.973E-02 -.318E-01   -.193E-01 -.390E-02 0.500E-02
   0.150E+02 0.114E+02 0.234E+02   -.151E+02 -.114E+02 -.234E+02   0.932E-01 0.560E-01 -.465E-01   0.384E-02 0.133E-01 0.249E-02
   0.147E+02 0.175E+01 0.169E+02   -.148E+02 -.178E+01 -.169E+02   0.595E-01 0.313E-01 -.469E-01   -.474E-02 -.744E-02 -.165E-03
   0.372E+01 -.260E+01 0.123E+02   -.373E+01 0.259E+01 -.123E+02   0.964E-02 0.161E-02 -.418E-01   -.903E-03 -.382E-03 0.910E-03
   -.145E+01 0.838E+00 0.127E+02   0.145E+01 -.839E+00 -.127E+02   0.384E-02 -.222E-02 -.222E-01   0.543E-02 -.314E-02 0.499E-02
   -.122E+01 0.121E+02 0.161E+02   0.123E+01 -.122E+02 -.161E+02   -.182E-02 0.244E-01 -.511E-01   0.295E-02 0.497E-02 0.190E-02
   0.706E+01 0.304E+02 0.419E+02   -.724E+01 -.306E+02 -.418E+02   0.194E+00 0.190E+00 -.625E-01   0.102E-01 -.161E-01 0.808E-03
   0.372E+02 0.779E+01 0.478E+02   -.377E+02 -.807E+01 -.481E+02   0.543E+00 0.277E+00 0.298E+00   -.987E-02 -.197E-02 -.697E-03
   0.192E+02 -.111E+02 0.228E+02   -.192E+02 0.111E+02 -.227E+02   0.476E-01 -.275E-01 -.371E-01   -.244E-02 0.140E-02 -.322E-02
   0.412E+01 -.192E+01 0.123E+02   -.411E+01 0.193E+01 -.123E+02   0.343E-02 -.915E-02 -.418E-01   -.122E-03 0.972E-03 0.907E-03
   -.313E+01 0.365E+01 0.135E+02   0.315E+01 -.366E+01 -.135E+02   -.101E-01 0.829E-02 -.173E-01   0.105E-02 -.280E-02 0.627E-03
   -.163E+02 0.213E+02 0.264E+02   0.165E+02 -.215E+02 -.263E+02   -.230E+00 0.184E+00 -.326E-01   -.325E-02 0.265E-02 -.198E-02
   -.235E+02 0.136E+02 0.930E+02   0.242E+02 -.139E+02 -.950E+02   -.634E+00 0.366E+00 0.203E+01   0.606E-03 -.348E-03 -.201E-02
   0.118E+02 -.361E+02 0.478E+02   -.119E+02 0.367E+02 -.481E+02   0.321E-01 -.609E+00 0.298E+00   -.323E-02 0.953E-02 -.700E-03
   0.586E+01 -.136E+02 0.169E+02   -.586E+01 0.137E+02 -.169E+02   0.264E-02 -.671E-01 -.469E-01   0.407E-02 0.783E-02 -.170E-03
   -.651E+00 -.397E+01 0.125E+02   0.654E+00 0.397E+01 -.125E+02   0.488E-02 0.305E-02 -.154E-01   0.188E-02 0.474E-02 0.322E-02
   -.910E+01 0.525E+01 0.145E+02   0.914E+01 -.528E+01 -.145E+02   -.399E-01 0.231E-01 -.131E-01   0.829E-03 -.475E-03 -.119E-02
   -.266E+02 0.341E+01 0.264E+02   0.269E+02 -.352E+01 -.263E+02   -.274E+00 0.107E+00 -.326E-01   -.392E-02 0.149E-02 -.197E-02
   -.228E+02 -.213E+02 0.419E+02   0.229E+02 0.216E+02 -.418E+02   -.675E-01 -.264E+00 -.625E-01   0.191E-01 -.811E-03 0.809E-03
   -.232E+01 -.187E+02 0.234E+02   0.232E+01 0.188E+02 -.234E+02   -.192E-02 -.109E+00 -.465E-01   -.955E-02 -.996E-02 0.248E-02
   0.195E+01 -.112E+01 0.146E+02   -.195E+01 0.113E+01 -.146E+02   0.752E-03 -.434E-03 -.295E-01   0.818E-02 -.472E-02 0.601E-02
   0.312E+01 0.255E+01 0.125E+02   -.311E+01 -.255E+01 -.125E+02   -.199E-03 -.575E-02 -.154E-01   -.316E-02 -.399E-02 0.322E-02
   -.473E+01 0.884E+00 0.135E+02   0.474E+01 -.897E+00 -.135E+02   -.122E-01 0.464E-02 -.173E-01   0.295E-02 0.495E-03 0.632E-03
   -.111E+02 -.501E+01 0.161E+02   0.111E+02 0.502E+01 -.161E+02   -.220E-01 -.106E-01 -.511E-01   -.282E-02 -.504E-02 0.191E-02
   -.609E+01 -.704E+01 0.178E+02   0.609E+01 0.706E+01 -.178E+02   -.487E-02 -.110E-01 -.318E-01   -.627E-02 0.187E-01 0.500E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.296E-03 0.101E+02   -.369E-12 0.000E+00 -.146E-12   -.430E-15 -.399E-16 -.101E+02   -.911E-07 0.737E-07 0.519E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85236      6.05968     12.30957         0.000000      0.000000     -0.006625
      1.07539      6.50827     13.56868        -0.000968      0.000559      0.011325
      2.62933      5.61109     13.56868         0.000968     -0.000559      0.011325
     -6.17266     10.69292      9.95693        -0.003114      0.001798     -0.004193
     11.11180      2.13816      9.95554         0.013327     -0.024707     -0.002816
      9.87652      4.27753      9.96878         0.002987      0.009627     -0.000708
      8.64278      6.41654      9.97226        -0.007701      0.008331     -0.000126
     -4.93812      8.55431      9.96697        -0.000868      0.011162     -0.002252
     -3.70330     10.69309      9.96697        -0.010100     -0.004829     -0.002252
      1.23392      2.13673      9.96141         0.009787      0.018865     -0.000326
     -0.00226      4.27129      9.97273        -0.030583      0.011476     -0.000488
     -1.23867      6.41650      9.98973         0.014279      0.003591      0.002450
     -2.46924      8.55475      9.97413        -0.004191      0.002420      0.002442
      4.93852      0.00058      9.97226        -0.011066      0.002504     -0.000126
      3.70469      2.13711      9.97654        -0.008082     -0.012478      0.000746
      2.47024      4.26907     10.00713        -0.004393     -0.002120      0.000420
      1.22921      6.41946     10.01539        -0.000742      0.000428     -0.000928
     -0.00217      8.55818      9.98973         0.004030     -0.014162      0.002450
      7.40783      0.00163      9.96878        -0.006844     -0.007400     -0.000708
      6.17338      2.13908      9.97169        -0.010726      0.000028     -0.000069
      4.93958      4.27728      9.98342         0.003285     -0.001897      0.004483
      3.71201      6.41989     10.00713        -0.000361      0.004864      0.000420
      2.47384      8.56002      9.97273        -0.025230      0.020748     -0.000488
      9.87822      0.00153      9.95554         0.028061      0.000812     -0.002816
      8.64295      2.13913      9.96282        -0.011451      0.006611     -0.003480
      7.40821      4.27787      9.97169        -0.005388      0.009275     -0.000069
      6.17557      6.41680      9.97654         0.006765      0.013238      0.000746
      4.94051      8.55675      9.96141        -0.011444     -0.017909     -0.000326
     -0.00065      1.42480      9.95554        -0.028061     -0.000812     -0.002816
     -1.23579      3.56261      9.96141         0.011444      0.017909     -0.000326
     -2.47085      5.70256      9.97654        -0.006765     -0.013238      0.000746
     -3.70349      7.84149      9.97169         0.005388     -0.009275     -0.000069
     -4.93823      9.98022      9.96282         0.011451     -0.006611     -0.003480
      2.46973      1.42470      9.96878         0.006844      0.007400     -0.000708
      1.23088      3.55934      9.97273         0.025230     -0.020748     -0.000488
     -0.00729      5.69947     10.00713         0.000361     -0.004864      0.000420
     -1.23486      7.84208      9.98342        -0.003285      0.001897      0.004483
     -2.46866      9.98028      9.97169         0.010726     -0.000028     -0.000069
      4.93904      1.42575      9.97226         0.011066     -0.002504     -0.000126
      3.70689      3.56118      9.98973        -0.004030      0.014162      0.002450
      2.47551      5.69990     10.01539         0.000742     -0.000428     -0.000928
      1.23448      7.85029     10.00713         0.004393      0.002120      0.000420
      0.00003      9.98225      9.97654         0.008082      0.012478      0.000746
      7.40802      1.42627      9.96697         0.010100      0.004829     -0.002252
      6.17396      3.56461      9.97413         0.004191     -0.002420      0.002442
      4.94339      5.70286      9.98973        -0.014279     -0.003591      0.002450
      3.70698      7.84807      9.97273         0.030583     -0.011476     -0.000488
      2.47080      9.98263      9.96141        -0.009787     -0.018865     -0.000326
      9.87738      1.42644      9.95693         0.003114     -0.001798     -0.004193
      8.64284      3.56505      9.96697         0.000868     -0.011162     -0.002252
      7.40880      5.70350      9.97226         0.007701     -0.008331     -0.000126
      6.17506      7.84251      9.96878        -0.002987     -0.009627     -0.000708
      4.93978      9.98188      9.95554        -0.013327      0.024707     -0.002816
 -----------------------------------------------------------------------------------
    total drift:                               -0.001810      0.000296     -0.008449


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


 Steepest descent step on ions:
 trial-energy change:    0.000048  1 .order    0.000050   -0.000112    0.000212
  (g-gl).g = 0.112E-03      g.g   = 0.112E-03  gl.gl    = 0.000E+00
 g(Force)  = 0.976E-04   g(Stress)= 0.144E-04 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.34625  (harmonic =   0.34625) maximal distance =0.00019076
 next E    =  -471.727030   (d E  =  -0.00002)


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


    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  185.55: CPU time   92.94
     LOOP+:  VPU time 6037.37: CPU time 3101.58


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


    POTLOK:  VPU time    9.03: CPU time    9.00
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1860.97: CPU time  960.30
 BZINTS: Fermi energy: -3.221955;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   58.19
    MIXING:  VPU time    0.15: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1985.61: CPU time 1028.00

 eigenvalue-minimisations  :  6168
 total energy-change (2. order) :-0.4717271E+03  (-0.7393981E-03)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9572825 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.17650E-02    rms(broyden)= 0.17631E-02
  rms(prec ) = 0.19663E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34079.32620726
  -1/2 Hartree   DENC   =    -40969.52298486
  -V(xc)+E(xc)   XCENC  =       726.53672489
  PAW double counting   =      4092.91672477    -4131.25246868
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.17110826
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72705126 eV

  energy without entropy =     -471.72705126  energy(sigma->0) =     -471.72705126


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




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


    POTLOK:  VPU time    9.00: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1541.28: CPU time  795.51
 BZINTS: Fermi energy: -3.222295;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1550.70: CPU time  804.88

 eigenvalue-minimisations  :  4656
 total energy-change (2. order) :-0.1371060E-04  (-0.2012550E-04)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9572825 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34079.32620726
  -1/2 Hartree   DENC   =    -40969.63064976
  -V(xc)+E(xc)   XCENC  =       726.54061609
  PAW double counting   =      4093.06187657    -4131.39792451
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.06704422
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72706497 eV

  energy without entropy =     -471.72706497  energy(sigma->0) =     -471.72706497


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




 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 -58.2141       2 -39.5372       3 -39.5373       4 -58.3168       5 -58.3211
       6 -58.3237       7 -58.3185       8 -58.3182       9 -58.3182      10 -58.3245
      11 -58.3906      12 -58.3546      13 -58.3264      14 -58.3185      15 -58.3275
      16 -58.5453      17 -58.7312      18 -58.3546      19 -58.3237      20 -58.3233
      21 -58.3612      22 -58.5453      23 -58.3906      24 -58.3211      25 -58.3265
      26 -58.3233      27 -58.3275      28 -58.3246      29 -58.3210      30 -58.3244
      31 -58.3274      32 -58.3232      33 -58.3264      34 -58.3236      35 -58.3905
      36 -58.5452      37 -58.3611      38 -58.3232      39 -58.3184      40 -58.3544
      41 -58.7311      42 -58.5452      43 -58.3274      44 -58.3181      45 -58.3263
      46 -58.3545      47 -58.3905      48 -58.3245      49 -58.3167      50 -58.3181
      51 -58.3184      52 -58.3236      53 -58.3210
 
 
 
 E-fermi :  -3.2223     XC(G=0):  -2.3661     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     -22.4268      1.00000
      2     -21.6029      1.00000
      3     -21.4823      1.00000
      4     -21.4732      1.00000
      5     -21.4417      1.00000
      6     -21.4412      1.00000
      7     -21.4308      1.00000
      8     -19.7077      1.00000
      9     -19.6533      1.00000
     10     -19.6304      1.00000
     11     -19.6195      1.00000
     12     -19.6144      1.00000
     13     -19.6130      1.00000
     14     -18.7907      1.00000
     15     -18.7555      1.00000
     16     -18.7359      1.00000
     17     -18.7265      1.00000
     18     -18.7192      1.00000
     19     -18.7143      1.00000
     20     -16.6358      1.00000
     21     -16.6102      1.00000
     22     -16.5865      1.00000
     23     -16.5829      1.00000
     24     -16.5558      1.00000
     25     -16.5543      1.00000
     26     -15.6151      1.00000
     27     -15.6033      1.00000
     28     -15.5998      1.00000
     29     -15.5660      1.00000
     30     -15.5643      1.00000
     31     -15.5627      1.00000
     32     -14.2607      1.00000
     33     -14.2516      1.00000
     34     -14.2423      1.00000
     35     -14.2373      1.00000
     36     -14.2236      1.00000
     37     -14.2210      1.00000
     38     -11.9069      1.00000
     39     -11.8806      1.00000
     40     -11.8698      1.00000
     41     -11.8669      1.00000
     42     -11.8467      1.00000
     43     -11.8466      1.00000
     44     -11.7722      1.00000
     45     -11.7701      1.00000
     46     -11.7367      1.00000
     47     -11.7303      1.00000
     48     -11.7268      1.00000
     49     -11.7235      1.00000
     50     -10.6744      1.00000
     51     -10.3896      1.00000
     52     -10.3853      1.00000
     53     -10.3782      1.00000
     54     -10.3698      1.00000
     55     -10.3574      1.00000
     56     -10.3547      1.00000
     57      -9.9022      1.00000
     58      -9.4501      1.00000
     59      -9.4058      1.00000
     60      -9.3631      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1435      1.00000
     64      -9.1241      1.00000
     65      -9.1226      1.00000
     66      -9.0869      1.00000
     67      -9.0733      1.00000
     68      -9.0727      1.00000
     69      -9.0723      1.00000
     70      -9.0667      1.00000
     71      -9.0658      1.00000
     72      -9.0407      1.00000
     73      -9.0306      1.00000
     74      -9.0277      1.00000
     75      -8.1304      1.00000
     76      -7.7417      1.00000
     77      -7.4712      1.00000
     78      -7.4679      1.00000
     79      -7.4560      1.00000
     80      -7.4367      1.00000
     81      -7.4263      1.00000
     82      -7.4090      1.00000
     83      -7.3127      1.00000
     84      -7.2714      1.00000
     85      -7.2581      1.00000
     86      -7.2497      1.00000
     87      -7.1524      1.00000
     88      -7.0504      1.00000
     89      -6.4471      1.00000
     90      -6.4164      1.00000
     91      -6.4009      1.00000
     92      -6.3646      1.00000
     93      -6.3540      1.00000
     94      -6.3422      1.00000
     95      -5.9617      1.00000
     96      -5.9597      1.00000
     97      -4.8039      1.00000
     98      -4.5436      1.00000
     99      -4.4829      1.00000
    100      -4.4735      1.00000
    101      -4.3839      1.00000
    102      -4.3832      1.00000
    103      -4.2682      1.00000
    104      -4.1864      1.00000
    105      -3.7392      1.00000
    106      -3.4748      1.00000
    107      -1.8633      0.00000
    108      -1.6735      0.00000
    109      -1.6261      0.00000
    110      -1.5939      0.00000
    111      -1.5780      0.00000
    112      -1.5773      0.00000
    113      -0.4316      0.00000
    114       0.1425      0.00000
    115       0.1896      0.00000
    116       0.2528      0.00000
    117       0.2653      0.00000
    118       0.2684      0.00000
    119       0.4733      0.00000
    120       0.5426      0.00000
    121       1.2433      0.00000
    122       1.2880      0.00000
    123       1.5116      0.00000
    124       1.7636      0.00000
    125       1.7639      0.00000
    126       1.7661      0.00000
    127       1.7734      0.00000
    128       1.8262      0.00000
    129       1.9552      0.00000
    130       1.9659      0.00000
    131       1.9713      0.00000
    132       1.9857      0.00000
    133       1.9933      0.00000
    134       2.0703      0.00000
    135       2.2528      0.00000
    136       2.3349      0.00000
    137       2.5898      0.00000
    138       2.5934      0.00000
    139       2.6039      0.00000
    140       2.6955      0.00000
    141       2.9438      0.00000
    142       3.0194      0.00000
    143       3.0255      0.00000
    144       3.0407      0.00000
    145       3.0427      0.00000
    146       3.0510      0.00000
    147       3.0861      0.00000
    148       3.2671      0.00000
    149       3.4070      0.00000
    150       3.4989      0.00000
    151       3.8222      0.00000
    152       3.9022      0.00000
    153       3.9246      0.00000
    154       3.9319      0.00000
    155       3.9611      0.00000
    156       4.0007      0.00000
    157       4.1720      0.00000
    158       4.2560      0.00000
    159       4.2690      0.00000
    160       4.2777      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3901      1.00000
      2     -21.8310      1.00000
      3     -21.6389      1.00000
      4     -21.6113      1.00000
      5     -21.2753      1.00000
      6     -21.2362      1.00000
      7     -21.0579      1.00000
      8     -20.1684      1.00000
      9     -20.1306      1.00000
     10     -19.6095      1.00000
     11     -19.5984      1.00000
     12     -19.4183      1.00000
     13     -19.0904      1.00000
     14     -19.0610      1.00000
     15     -19.0502      1.00000
     16     -19.0426      1.00000
     17     -18.3618      1.00000
     18     -18.3533      1.00000
     19     -18.0203      1.00000
     20     -17.0702      1.00000
     21     -17.0319      1.00000
     22     -16.9456      1.00000
     23     -16.9414      1.00000
     24     -16.4693      1.00000
     25     -16.4647      1.00000
     26     -15.6148      1.00000
     27     -15.6086      1.00000
     28     -15.2538      1.00000
     29     -15.2449      1.00000
     30     -15.1861      1.00000
     31     -15.0994      1.00000
     32     -15.0727      1.00000
     33     -14.6998      1.00000
     34     -14.6977      1.00000
     35     -13.7280      1.00000
     36     -13.7252      1.00000
     37     -13.2375      1.00000
     38     -12.6160      1.00000
     39     -12.5860      1.00000
     40     -12.4557      1.00000
     41     -12.4518      1.00000
     42     -12.1110      1.00000
     43     -12.1062      1.00000
     44     -11.7182      1.00000
     45     -11.6875      1.00000
     46     -11.2367      1.00000
     47     -11.2281      1.00000
     48     -11.0193      1.00000
     49     -11.0114      1.00000
     50     -10.9277      1.00000
     51     -10.9065      1.00000
     52     -10.6291      1.00000
     53     -10.1570      1.00000
     54     -10.1524      1.00000
     55     -10.0942      1.00000
     56      -9.9974      1.00000
     57      -9.7038      1.00000
     58      -9.6969      1.00000
     59      -9.6566      1.00000
     60      -9.5929      1.00000
     61      -9.5781      1.00000
     62      -9.5600      1.00000
     63      -9.3091      1.00000
     64      -9.3051      1.00000
     65      -9.2743      1.00000
     66      -9.2378      1.00000
     67      -9.1370      1.00000
     68      -9.1177      1.00000
     69      -9.1127      1.00000
     70      -8.9402      1.00000
     71      -8.8735      1.00000
     72      -8.6063      1.00000
     73      -8.5928      1.00000
     74      -8.2363      1.00000
     75      -8.1031      1.00000
     76      -7.9122      1.00000
     77      -7.8653      1.00000
     78      -7.7739      1.00000
     79      -7.7590      1.00000
     80      -7.6931      1.00000
     81      -7.5592      1.00000
     82      -7.3413      1.00000
     83      -7.3251      1.00000
     84      -7.2052      1.00000
     85      -7.1242      1.00000
     86      -7.0332      1.00000
     87      -7.0140      1.00000
     88      -6.7051      1.00000
     89      -6.6789      1.00000
     90      -6.6421      1.00000
     91      -6.5991      1.00000
     92      -6.1190      1.00000
     93      -6.0636      1.00000
     94      -6.0324      1.00000
     95      -6.0126      1.00000
     96      -5.7839      1.00000
     97      -4.9732      1.00000
     98      -4.8328      1.00000
     99      -4.7480      1.00000
    100      -4.6803      1.00000
    101      -4.4675      1.00000
    102      -4.2019      1.00000
    103      -4.1727      1.00000
    104      -4.1290      1.00000
    105      -3.7296      1.00000
    106      -3.4848      1.00000
    107      -1.8722      0.00000
    108      -1.8114      0.00000
    109      -1.5263      0.00000
    110      -1.3797      0.00000
    111      -1.3239      0.00000
    112      -1.2906      0.00000
    113      -0.7222      0.00000
    114      -0.3787      0.00000
    115      -0.2523      0.00000
    116       0.0332      0.00000
    117       0.5509      0.00000
    118       0.6950      0.00000
    119       0.7433      0.00000
    120       1.0445      0.00000
    121       1.0967      0.00000
    122       1.1453      0.00000
    123       1.2241      0.00000
    124       1.3753      0.00000
    125       1.5117      0.00000
    126       1.5650      0.00000
    127       1.7092      0.00000
    128       1.7941      0.00000
    129       1.8517      0.00000
    130       1.8777      0.00000
    131       2.0795      0.00000
    132       2.1779      0.00000
    133       2.2290      0.00000
    134       2.2888      0.00000
    135       2.5062      0.00000
    136       2.5775      0.00000
    137       2.5968      0.00000
    138       2.7631      0.00000
    139       2.7813      0.00000
    140       2.8173      0.00000
    141       2.8292      0.00000
    142       2.8795      0.00000
    143       2.9242      0.00000
    144       3.0541      0.00000
    145       3.1478      0.00000
    146       3.2737      0.00000
    147       3.3464      0.00000
    148       3.3980      0.00000
    149       3.4546      0.00000
    150       3.5834      0.00000
    151       3.6253      0.00000
    152       3.6498      0.00000
    153       3.6979      0.00000
    154       3.8920      0.00000
    155       3.9287      0.00000
    156       4.0028      0.00000
    157       4.0448      0.00000
    158       4.2152      0.00000
    159       4.2338      0.00000
    160       4.2570      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2840      1.00000
      2     -22.0787      1.00000
      3     -21.7173      1.00000
      4     -21.6858      1.00000
      5     -20.9800      1.00000
      6     -20.9399      1.00000
      7     -20.6125      1.00000
      8     -20.5762      1.00000
      9     -20.5700      1.00000
     10     -20.0337      1.00000
     11     -19.5043      1.00000
     12     -19.4926      1.00000
     13     -19.3079      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4123      1.00000
     17     -17.9235      1.00000
     18     -17.9141      1.00000
     19     -17.7627      1.00000
     20     -17.7273      1.00000
     21     -17.4373      1.00000
     22     -17.4298      1.00000
     23     -17.3424      1.00000
     24     -16.4642      1.00000
     25     -16.4631      1.00000
     26     -15.9682      1.00000
     27     -15.4151      1.00000
     28     -15.4102      1.00000
     29     -15.0975      1.00000
     30     -15.0945      1.00000
     31     -14.8567      1.00000
     32     -14.8489      1.00000
     33     -14.2919      1.00000
     34     -14.2592      1.00000
     35     -13.4384      1.00000
     36     -13.4061      1.00000
     37     -13.1790      1.00000
     38     -13.1754      1.00000
     39     -12.9829      1.00000
     40     -12.9780      1.00000
     41     -12.6148      1.00000
     42     -12.6112      1.00000
     43     -12.1997      1.00000
     44     -11.5775      1.00000
     45     -11.5439      1.00000
     46     -11.3116      1.00000
     47     -11.2890      1.00000
     48     -11.1440      1.00000
     49     -10.6770      1.00000
     50     -10.6626      1.00000
     51     -10.5515      1.00000
     52     -10.3254      1.00000
     53     -10.3191      1.00000
     54     -10.1700      1.00000
     55     -10.1172      1.00000
     56     -10.1142      1.00000
     57      -9.7984      1.00000
     58      -9.7670      1.00000
     59      -9.7529      1.00000
     60      -9.7014      1.00000
     61      -9.6994      1.00000
     62      -9.6622      1.00000
     63      -9.3568      1.00000
     64      -9.3528      1.00000
     65      -9.3168      1.00000
     66      -9.0409      1.00000
     67      -8.9646      1.00000
     68      -8.9504      1.00000
     69      -8.7996      1.00000
     70      -8.5957      1.00000
     71      -8.5585      1.00000
     72      -8.3984      1.00000
     73      -8.3656      1.00000
     74      -8.3263      1.00000
     75      -8.3087      1.00000
     76      -8.2608      1.00000
     77      -8.2591      1.00000
     78      -8.2380      1.00000
     79      -7.9057      1.00000
     80      -7.6510      1.00000
     81      -7.5480      1.00000
     82      -7.3888      1.00000
     83      -7.3519      1.00000
     84      -7.2338      1.00000
     85      -7.0975      1.00000
     86      -7.0398      1.00000
     87      -6.9348      1.00000
     88      -6.8497      1.00000
     89      -6.6144      1.00000
     90      -6.5617      1.00000
     91      -6.2716      1.00000
     92      -6.0440      1.00000
     93      -5.9525      1.00000
     94      -5.6634      1.00000
     95      -5.6239      1.00000
     96      -5.4630      1.00000
     97      -5.3205      1.00000
     98      -5.2799      1.00000
     99      -5.2150      1.00000
    100      -5.1953      1.00000
    101      -4.5064      1.00000
    102      -4.2055      1.00000
    103      -4.0589      1.00000
    104      -3.9906      1.00000
    105      -3.6947      1.00000
    106      -3.4950      1.00000
    107      -1.9481      0.00000
    108      -1.8991      0.00000
    109      -1.3403      0.00000
    110      -1.0874      0.00000
    111      -1.0604      0.00000
    112      -0.8029      0.00000
    113      -0.6798      0.00000
    114      -0.6494      0.00000
    115      -0.6099      0.00000
    116      -0.1116      0.00000
    117       0.2125      0.00000
    118       0.3257      0.00000
    119       0.6887      0.00000
    120       0.8829      0.00000
    121       1.1225      0.00000
    122       1.1961      0.00000
    123       1.3221      0.00000
    124       1.4100      0.00000
    125       1.5514      0.00000
    126       1.5734      0.00000
    127       1.6731      0.00000
    128       1.8127      0.00000
    129       1.8573      0.00000
    130       2.0282      0.00000
    131       2.0875      0.00000
    132       2.2928      0.00000
    133       2.3466      0.00000
    134       2.3824      0.00000
    135       2.5375      0.00000
    136       2.6230      0.00000
    137       2.7173      0.00000
    138       2.7225      0.00000
    139       2.7877      0.00000
    140       2.8722      0.00000
    141       3.0314      0.00000
    142       3.0465      0.00000
    143       3.1562      0.00000
    144       3.2523      0.00000
    145       3.3396      0.00000
    146       3.3962      0.00000
    147       3.4189      0.00000
    148       3.5592      0.00000
    149       3.5737      0.00000
    150       3.5834      0.00000
    151       3.6443      0.00000
    152       3.6598      0.00000
    153       3.7560      0.00000
    154       3.7635      0.00000
    155       3.7798      0.00000
    156       3.8599      0.00000
    157       3.9133      0.00000
    158       3.9663      0.00000
    159       4.2071      0.00000
    160       4.2190      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3181      1.00000
      2     -21.9633      1.00000
      3     -21.8947      1.00000
      4     -21.3816      1.00000
      5     -21.3526      1.00000
      6     -20.8403      1.00000
      7     -20.7756      1.00000
      8     -20.6251      1.00000
      9     -20.0784      1.00000
     10     -20.0729      1.00000
     11     -19.7178      1.00000
     12     -19.6935      1.00000
     13     -18.9974      1.00000
     14     -18.9917      1.00000
     15     -18.6416      1.00000
     16     -18.6258      1.00000
     17     -18.4634      1.00000
     18     -17.6763      1.00000
     19     -17.6264      1.00000
     20     -17.6235      1.00000
     21     -17.5820      1.00000
     22     -17.1278      1.00000
     23     -17.1064      1.00000
     24     -16.9635      1.00000
     25     -16.0034      1.00000
     26     -15.9301      1.00000
     27     -15.5870      1.00000
     28     -15.5868      1.00000
     29     -15.2881      1.00000
     30     -14.8656      1.00000
     31     -14.8384      1.00000
     32     -14.5805      1.00000
     33     -14.5391      1.00000
     34     -14.1696      1.00000
     35     -14.1562      1.00000
     36     -13.1501      1.00000
     37     -13.1018      1.00000
     38     -13.0316      1.00000
     39     -13.0215      1.00000
     40     -12.7109      1.00000
     41     -12.7069      1.00000
     42     -12.3425      1.00000
     43     -12.3115      1.00000
     44     -11.6371      1.00000
     45     -11.6237      1.00000
     46     -11.5730      1.00000
     47     -10.9506      1.00000
     48     -10.9178      1.00000
     49     -10.6323      1.00000
     50     -10.6268      1.00000
     51     -10.5478      1.00000
     52     -10.5010      1.00000
     53     -10.5007      1.00000
     54     -10.4422      1.00000
     55     -10.3626      1.00000
     56     -10.0989      1.00000
     57      -9.9040      1.00000
     58      -9.6107      1.00000
     59      -9.5588      1.00000
     60      -9.4531      1.00000
     61      -9.4136      1.00000
     62      -9.4060      1.00000
     63      -9.3796      1.00000
     64      -9.3793      1.00000
     65      -9.2874      1.00000
     66      -9.1701      1.00000
     67      -9.1448      1.00000
     68      -9.1159      1.00000
     69      -8.8660      1.00000
     70      -8.8587      1.00000
     71      -8.8153      1.00000
     72      -8.5976      1.00000
     73      -8.4804      1.00000
     74      -8.2003      1.00000
     75      -8.1651      1.00000
     76      -8.0096      1.00000
     77      -7.9619      1.00000
     78      -7.8533      1.00000
     79      -7.8431      1.00000
     80      -7.7069      1.00000
     81      -7.6993      1.00000
     82      -7.6234      1.00000
     83      -7.4487      1.00000
     84      -7.3021      1.00000
     85      -7.2532      1.00000
     86      -6.9084      1.00000
     87      -6.8948      1.00000
     88      -6.5895      1.00000
     89      -6.5523      1.00000
     90      -6.4097      1.00000
     91      -6.2544      1.00000
     92      -6.2343      1.00000
     93      -6.2069      1.00000
     94      -6.0235      1.00000
     95      -5.5505      1.00000
     96      -5.4894      1.00000
     97      -5.3504      1.00000
     98      -5.2210      1.00000
     99      -4.9809      1.00000
    100      -4.7322      1.00000
    101      -4.6787      1.00000
    102      -4.3874      1.00000
    103      -4.2009      1.00000
    104      -3.8698      1.00000
    105      -3.5482      1.00000
    106      -3.5066      1.00000
    107      -2.2586      0.00000
    108      -1.4580      0.00000
    109      -1.3737      0.00000
    110      -1.2440      0.00000
    111      -1.1000      0.00000
    112      -0.9475      0.00000
    113      -0.8664      0.00000
    114      -0.8060      0.00000
    115      -0.1432      0.00000
    116       0.1081      0.00000
    117       0.2384      0.00000
    118       0.3745      0.00000
    119       0.6461      0.00000
    120       0.8326      0.00000
    121       0.9336      0.00000
    122       1.0605      0.00000
    123       1.2233      0.00000
    124       1.4420      0.00000
    125       1.5482      0.00000
    126       1.7631      0.00000
    127       1.7836      0.00000
    128       1.8554      0.00000
    129       1.9496      0.00000
    130       2.0252      0.00000
    131       2.1646      0.00000
    132       2.1734      0.00000
    133       2.3995      0.00000
    134       2.4046      0.00000
    135       2.5055      0.00000
    136       2.6011      0.00000
    137       2.6300      0.00000
    138       2.6833      0.00000
    139       2.7624      0.00000
    140       2.8373      0.00000
    141       2.9407      0.00000
    142       3.0670      0.00000
    143       3.1771      0.00000
    144       3.1916      0.00000
    145       3.2183      0.00000
    146       3.2898      0.00000
    147       3.2979      0.00000
    148       3.4544      0.00000
    149       3.4835      0.00000
    150       3.6711      0.00000
    151       3.7039      0.00000
    152       3.7067      0.00000
    153       3.8520      0.00000
    154       3.9034      0.00000
    155       3.9371      0.00000
    156       3.9601      0.00000
    157       3.9882      0.00000
    158       4.0200      0.00000
    159       4.0364      0.00000
    160       4.0538      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2107      1.00000
      2     -22.1185      1.00000
      3     -21.9577      1.00000
      4     -21.4052      1.00000
      5     -21.0505      1.00000
      6     -21.0149      1.00000
      7     -20.5014      1.00000
      8     -20.4623      1.00000
      9     -20.2959      1.00000
     10     -20.2768      1.00000
     11     -19.9584      1.00000
     12     -19.8930      1.00000
     13     -18.8834      1.00000
     14     -18.8151      1.00000
     15     -18.3539      1.00000
     16     -18.3080      1.00000
     17     -18.1543      1.00000
     18     -18.1373      1.00000
     19     -17.8279      1.00000
     20     -17.7907      1.00000
     21     -17.2533      1.00000
     22     -17.2432      1.00000
     23     -17.1665      1.00000
     24     -17.1343      1.00000
     25     -16.1113      1.00000
     26     -15.8864      1.00000
     27     -15.8715      1.00000
     28     -15.8358      1.00000
     29     -15.2382      1.00000
     30     -14.5564      1.00000
     31     -14.5287      1.00000
     32     -14.2820      1.00000
     33     -13.9657      1.00000
     34     -13.9581      1.00000
     35     -13.8223      1.00000
     36     -13.8065      1.00000
     37     -13.6162      1.00000
     38     -13.5726      1.00000
     39     -13.3710      1.00000
     40     -12.6358      1.00000
     41     -12.1826      1.00000
     42     -12.1348      1.00000
     43     -12.0732      1.00000
     44     -12.0211      1.00000
     45     -11.6717      1.00000
     46     -11.6584      1.00000
     47     -11.1406      1.00000
     48     -11.1204      1.00000
     49     -10.7960      1.00000
     50     -10.7325      1.00000
     51     -10.5263      1.00000
     52     -10.2110      1.00000
     53     -10.2071      1.00000
     54     -10.1651      1.00000
     55     -10.0198      1.00000
     56     -10.0050      1.00000
     57      -9.9921      1.00000
     58      -9.8033      1.00000
     59      -9.7997      1.00000
     60      -9.7646      1.00000
     61      -9.7600      1.00000
     62      -9.4560      1.00000
     63      -9.4171      1.00000
     64      -9.0805      1.00000
     65      -9.0744      1.00000
     66      -9.0430      1.00000
     67      -8.9571      1.00000
     68      -8.8776      1.00000
     69      -8.7144      1.00000
     70      -8.7020      1.00000
     71      -8.5674      1.00000
     72      -8.5447      1.00000
     73      -8.4994      1.00000
     74      -8.4652      1.00000
     75      -8.4548      1.00000
     76      -8.2603      1.00000
     77      -8.1260      1.00000
     78      -8.0438      1.00000
     79      -7.9182      1.00000
     80      -7.8630      1.00000
     81      -7.6160      1.00000
     82      -7.5501      1.00000
     83      -7.4912      1.00000
     84      -7.2681      1.00000
     85      -6.9980      1.00000
     86      -6.9262      1.00000
     87      -6.8850      1.00000
     88      -6.5347      1.00000
     89      -6.4891      1.00000
     90      -6.4621      1.00000
     91      -6.4113      1.00000
     92      -5.9841      1.00000
     93      -5.8981      1.00000
     94      -5.7855      1.00000
     95      -5.7608      1.00000
     96      -5.4320      1.00000
     97      -5.3299      1.00000
     98      -5.2314      1.00000
     99      -5.2187      1.00000
    100      -5.1899      1.00000
    101      -4.6922      1.00000
    102      -4.4209      1.00000
    103      -4.2073      1.00000
    104      -3.8327      1.00000
    105      -3.5257      1.00000
    106      -3.2762      1.00000
    107      -2.5335      0.00000
    108      -1.4594      0.00000
    109      -1.2693      0.00000
    110      -1.2052      0.00000
    111      -1.1745      0.00000
    112      -0.7223      0.00000
    113      -0.5063      0.00000
    114      -0.4149      0.00000
    115      -0.3418      0.00000
    116      -0.1488      0.00000
    117      -0.0058      0.00000
    118       0.1902      0.00000
    119       0.5582      0.00000
    120       0.6095      0.00000
    121       0.7901      0.00000
    122       0.9040      0.00000
    123       1.1245      0.00000
    124       1.4836      0.00000
    125       1.6407      0.00000
    126       1.8291      0.00000
    127       1.9180      0.00000
    128       2.0836      0.00000
    129       2.0985      0.00000
    130       2.1112      0.00000
    131       2.1690      0.00000
    132       2.2763      0.00000
    133       2.3028      0.00000
    134       2.4602      0.00000
    135       2.5620      0.00000
    136       2.6513      0.00000
    137       2.8436      0.00000
    138       2.8663      0.00000
    139       2.8864      0.00000
    140       2.9849      0.00000
    141       3.0215      0.00000
    142       3.1350      0.00000
    143       3.1516      0.00000
    144       3.2167      0.00000
    145       3.2671      0.00000
    146       3.2783      0.00000
    147       3.2940      0.00000
    148       3.3386      0.00000
    149       3.3957      0.00000
    150       3.4246      0.00000
    151       3.5127      0.00000
    152       3.6048      0.00000
    153       3.6693      0.00000
    154       3.6928      0.00000
    155       3.7656      0.00000
    156       3.8876      0.00000
    157       3.9239      0.00000
    158       3.9937      0.00000
    159       4.1120      0.00000
    160       4.2224      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.9649      1.00000
      3     -21.8932      1.00000
      4     -21.3853      1.00000
      5     -21.3492      1.00000
      6     -20.8402      1.00000
      7     -20.7741      1.00000
      8     -20.6259      1.00000
      9     -20.0904      1.00000
     10     -20.0620      1.00000
     11     -19.7194      1.00000
     12     -19.6908      1.00000
     13     -19.0107      1.00000
     14     -18.9800      1.00000
     15     -18.6509      1.00000
     16     -18.6184      1.00000
     17     -18.4618      1.00000
     18     -17.6617      1.00000
     19     -17.6479      1.00000
     20     -17.6120      1.00000
     21     -17.5794      1.00000
     22     -17.1385      1.00000
     23     -17.0988      1.00000
     24     -16.9675      1.00000
     25     -16.0098      1.00000
     26     -15.9243      1.00000
     27     -15.5999      1.00000
     28     -15.5767      1.00000
     29     -15.2814      1.00000
     30     -14.8779      1.00000
     31     -14.8312      1.00000
     32     -14.5762      1.00000
     33     -14.5384      1.00000
     34     -14.1656      1.00000
     35     -14.1614      1.00000
     36     -13.1637      1.00000
     37     -13.0971      1.00000
     38     -13.0246      1.00000
     39     -13.0202      1.00000
     40     -12.7193      1.00000
     41     -12.6964      1.00000
     42     -12.3420      1.00000
     43     -12.3148      1.00000
     44     -11.6335      1.00000
     45     -11.6244      1.00000
     46     -11.5716      1.00000
     47     -10.9424      1.00000
     48     -10.9245      1.00000
     49     -10.6684      1.00000
     50     -10.5916      1.00000
     51     -10.5739      1.00000
     52     -10.5028      1.00000
     53     -10.4898      1.00000
     54     -10.4408      1.00000
     55     -10.3576      1.00000
     56     -10.1034      1.00000
     57      -9.8982      1.00000
     58      -9.6101      1.00000
     59      -9.5528      1.00000
     60      -9.4540      1.00000
     61      -9.4203      1.00000
     62      -9.4107      1.00000
     63      -9.3813      1.00000
     64      -9.3736      1.00000
     65      -9.2680      1.00000
     66      -9.1674      1.00000
     67      -9.1433      1.00000
     68      -9.1177      1.00000
     69      -8.8679      1.00000
     70      -8.8621      1.00000
     71      -8.8024      1.00000
     72      -8.5968      1.00000
     73      -8.5263      1.00000
     74      -8.1952      1.00000
     75      -8.1726      1.00000
     76      -8.0764      1.00000
     77      -7.8596      1.00000
     78      -7.8388      1.00000
     79      -7.8236      1.00000
     80      -7.7122      1.00000
     81      -7.6981      1.00000
     82      -7.5988      1.00000
     83      -7.5289      1.00000
     84      -7.3513      1.00000
     85      -7.1688      1.00000
     86      -6.9076      1.00000
     87      -6.8980      1.00000
     88      -6.5934      1.00000
     89      -6.5525      1.00000
     90      -6.4080      1.00000
     91      -6.3033      1.00000
     92      -6.2484      1.00000
     93      -6.2035      1.00000
     94      -6.0048      1.00000
     95      -5.5321      1.00000
     96      -5.4668      1.00000
     97      -5.3148      1.00000
     98      -5.2109      1.00000
     99      -5.0469      1.00000
    100      -4.7238      1.00000
    101      -4.6721      1.00000
    102      -4.4230      1.00000
    103      -4.1931      1.00000
    104      -3.8415      1.00000
    105      -3.6337      1.00000
    106      -3.4158      1.00000
    107      -2.2947      0.00000
    108      -1.5110      0.00000
    109      -1.2726      0.00000
    110      -1.2649      0.00000
    111      -1.0366      0.00000
    112      -0.9801      0.00000
    113      -0.8705      0.00000
    114      -0.8020      0.00000
    115      -0.2648      0.00000
    116       0.2013      0.00000
    117       0.2366      0.00000
    118       0.3566      0.00000
    119       0.6861      0.00000
    120       0.8908      0.00000
    121       0.9204      0.00000
    122       1.0359      0.00000
    123       1.1616      0.00000
    124       1.5053      0.00000
    125       1.5454      0.00000
    126       1.7003      0.00000
    127       1.7755      0.00000
    128       1.8231      0.00000
    129       1.9420      0.00000
    130       1.9688      0.00000
    131       2.1613      0.00000
    132       2.2563      0.00000
    133       2.3966      0.00000
    134       2.4099      0.00000
    135       2.5095      0.00000
    136       2.5958      0.00000
    137       2.6150      0.00000
    138       2.6904      0.00000
    139       2.7444      0.00000
    140       2.8539      0.00000
    141       3.0302      0.00000
    142       3.0613      0.00000
    143       3.1775      0.00000
    144       3.2052      0.00000
    145       3.2233      0.00000
    146       3.2797      0.00000
    147       3.3202      0.00000
    148       3.4306      0.00000
    149       3.5086      0.00000
    150       3.6905      0.00000
    151       3.7031      0.00000
    152       3.7144      0.00000
    153       3.8162      0.00000
    154       3.8791      0.00000
    155       3.9116      0.00000
    156       3.9728      0.00000
    157       3.9802      0.00000
    158       4.0208      0.00000
    159       4.0467      0.00000
    160       4.0862      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3901      1.00000
      2     -21.8313      1.00000
      3     -21.6420      1.00000
      4     -21.6074      1.00000
      5     -21.2794      1.00000
      6     -21.2328      1.00000
      7     -21.0574      1.00000
      8     -20.1721      1.00000
      9     -20.1265      1.00000
     10     -19.6179      1.00000
     11     -19.5918      1.00000
     12     -19.4166      1.00000
     13     -19.0954      1.00000
     14     -19.0572      1.00000
     15     -19.0528      1.00000
     16     -19.0399      1.00000
     17     -18.3680      1.00000
     18     -18.3482      1.00000
     19     -18.0178      1.00000
     20     -17.0732      1.00000
     21     -17.0251      1.00000
     22     -16.9511      1.00000
     23     -16.9373      1.00000
     24     -16.4762      1.00000
     25     -16.4646      1.00000
     26     -15.6107      1.00000
     27     -15.6103      1.00000
     28     -15.2513      1.00000
     29     -15.2391      1.00000
     30     -15.1923      1.00000
     31     -15.1024      1.00000
     32     -15.0696      1.00000
     33     -14.6999      1.00000
     34     -14.6988      1.00000
     35     -13.7266      1.00000
     36     -13.7264      1.00000
     37     -13.2364      1.00000
     38     -12.6255      1.00000
     39     -12.5817      1.00000
     40     -12.4558      1.00000
     41     -12.4503      1.00000
     42     -12.1071      1.00000
     43     -12.1020      1.00000
     44     -11.7232      1.00000
     45     -11.6849      1.00000
     46     -11.2470      1.00000
     47     -11.2266      1.00000
     48     -11.0189      1.00000
     49     -11.0071      1.00000
     50     -10.9293      1.00000
     51     -10.9009      1.00000
     52     -10.6351      1.00000
     53     -10.1732      1.00000
     54     -10.1507      1.00000
     55     -10.0862      1.00000
     56      -9.9912      1.00000
     57      -9.6978      1.00000
     58      -9.6907      1.00000
     59      -9.6711      1.00000
     60      -9.5939      1.00000
     61      -9.5696      1.00000
     62      -9.5538      1.00000
     63      -9.3140      1.00000
     64      -9.3015      1.00000
     65      -9.2831      1.00000
     66      -9.2454      1.00000
     67      -9.1230      1.00000
     68      -9.1140      1.00000
     69      -9.1120      1.00000
     70      -8.9399      1.00000
     71      -8.8777      1.00000
     72      -8.6073      1.00000
     73      -8.5888      1.00000
     74      -8.2703      1.00000
     75      -8.1029      1.00000
     76      -7.8703      1.00000
     77      -7.8443      1.00000
     78      -7.7904      1.00000
     79      -7.7659      1.00000
     80      -7.7575      1.00000
     81      -7.4459      1.00000
     82      -7.3363      1.00000
     83      -7.3247      1.00000
     84      -7.2666      1.00000
     85      -7.1642      1.00000
     86      -7.0179      1.00000
     87      -6.9876      1.00000
     88      -6.7182      1.00000
     89      -6.6918      1.00000
     90      -6.6325      1.00000
     91      -6.5919      1.00000
     92      -6.1192      1.00000
     93      -6.0613      1.00000
     94      -6.0455      1.00000
     95      -6.0301      1.00000
     96      -5.7493      1.00000
     97      -4.9737      1.00000
     98      -4.8397      1.00000
     99      -4.7104      1.00000
    100      -4.6748      1.00000
    101      -4.4832      1.00000
    102      -4.3494      1.00000
    103      -4.1127      1.00000
    104      -4.0560      1.00000
    105      -3.7548      1.00000
    106      -3.4629      1.00000
    107      -1.9522      0.00000
    108      -1.7738      0.00000
    109      -1.4824      0.00000
    110      -1.3578      0.00000
    111      -1.3384      0.00000
    112      -1.2945      0.00000
    113      -0.6809      0.00000
    114      -0.4741      0.00000
    115      -0.2379      0.00000
    116       0.0477      0.00000
    117       0.5824      0.00000
    118       0.6898      0.00000
    119       0.7664      0.00000
    120       1.0182      0.00000
    121       1.0943      0.00000
    122       1.1739      0.00000
    123       1.2473      0.00000
    124       1.3334      0.00000
    125       1.4182      0.00000
    126       1.5800      0.00000
    127       1.7488      0.00000
    128       1.8373      0.00000
    129       1.8535      0.00000
    130       1.8814      0.00000
    131       2.0221      0.00000
    132       2.2038      0.00000
    133       2.2326      0.00000
    134       2.2678      0.00000
    135       2.4697      0.00000
    136       2.5960      0.00000
    137       2.6241      0.00000
    138       2.7350      0.00000
    139       2.7553      0.00000
    140       2.8303      0.00000
    141       2.8362      0.00000
    142       2.8411      0.00000
    143       2.9240      0.00000
    144       3.0600      0.00000
    145       3.2718      0.00000
    146       3.3420      0.00000
    147       3.3797      0.00000
    148       3.3943      0.00000
    149       3.4126      0.00000
    150       3.5585      0.00000
    151       3.6082      0.00000
    152       3.6660      0.00000
    153       3.7187      0.00000
    154       3.8859      0.00000
    155       3.8972      0.00000
    156       3.9306      0.00000
    157       4.0801      0.00000
    158       4.1796      0.00000
    159       4.2497      0.00000
    160       4.3788      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2098      1.00000
      2     -22.1199      1.00000
      3     -21.9574      1.00000
      4     -21.4054      1.00000
      5     -21.0467      1.00000
      6     -21.0187      1.00000
      7     -20.4966      1.00000
      8     -20.4671      1.00000
      9     -20.2871      1.00000
     10     -20.2851      1.00000
     11     -19.9574      1.00000
     12     -19.8948      1.00000
     13     -18.8841      1.00000
     14     -18.8172      1.00000
     15     -18.3387      1.00000
     16     -18.3196      1.00000
     17     -18.1502      1.00000
     18     -18.1428      1.00000
     19     -17.8169      1.00000
     20     -17.7988      1.00000
     21     -17.2593      1.00000
     22     -17.2400      1.00000
     23     -17.1616      1.00000
     24     -17.1369      1.00000
     25     -16.1170      1.00000
     26     -15.8817      1.00000
     27     -15.8707      1.00000
     28     -15.8420      1.00000
     29     -15.2326      1.00000
     30     -14.5523      1.00000
     31     -14.5341      1.00000
     32     -14.2775      1.00000
     33     -13.9759      1.00000
     34     -13.9525      1.00000
     35     -13.8261      1.00000
     36     -13.8041      1.00000
     37     -13.6056      1.00000
     38     -13.5804      1.00000
     39     -13.3709      1.00000
     40     -12.6395      1.00000
     41     -12.1706      1.00000
     42     -12.1443      1.00000
     43     -12.0693      1.00000
     44     -12.0228      1.00000
     45     -11.6661      1.00000
     46     -11.6615      1.00000
     47     -11.1385      1.00000
     48     -11.1277      1.00000
     49     -10.7920      1.00000
     50     -10.7364      1.00000
     51     -10.5330      1.00000
     52     -10.2096      1.00000
     53     -10.2035      1.00000
     54     -10.1708      1.00000
     55     -10.0236      1.00000
     56      -9.9946      1.00000
     57      -9.9916      1.00000
     58      -9.8066      1.00000
     59      -9.7974      1.00000
     60      -9.7668      1.00000
     61      -9.7588      1.00000
     62      -9.4566      1.00000
     63      -9.4169      1.00000
     64      -9.0854      1.00000
     65      -9.0474      1.00000
     66      -9.0262      1.00000
     67      -8.9723      1.00000
     68      -8.8976      1.00000
     69      -8.7097      1.00000
     70      -8.7006      1.00000
     71      -8.5625      1.00000
     72      -8.5516      1.00000
     73      -8.4785      1.00000
     74      -8.4617      1.00000
     75      -8.4581      1.00000
     76      -8.3075      1.00000
     77      -8.0951      1.00000
     78      -8.0900      1.00000
     79      -7.9282      1.00000
     80      -7.8322      1.00000
     81      -7.6015      1.00000
     82      -7.5399      1.00000
     83      -7.4457      1.00000
     84      -7.3134      1.00000
     85      -6.9952      1.00000
     86      -6.9213      1.00000
     87      -6.8835      1.00000
     88      -6.5309      1.00000
     89      -6.5165      1.00000
     90      -6.4827      1.00000
     91      -6.4215      1.00000
     92      -5.9274      1.00000
     93      -5.9064      1.00000
     94      -5.7899      1.00000
     95      -5.7756      1.00000
     96      -5.3701      1.00000
     97      -5.3634      1.00000
     98      -5.2218      1.00000
     99      -5.2166      1.00000
    100      -5.1997      1.00000
    101      -4.7202      1.00000
    102      -4.4409      1.00000
    103      -4.1893      1.00000
    104      -3.8189      1.00000
    105      -3.5624      1.00000
    106      -3.2233      1.00000
    107      -2.5647      0.00000
    108      -1.4646      0.00000
    109      -1.2694      0.00000
    110      -1.1878      0.00000
    111      -1.1861      0.00000
    112      -0.6475      0.00000
    113      -0.5542      0.00000
    114      -0.4173      0.00000
    115      -0.3502      0.00000
    116      -0.0807      0.00000
    117      -0.0659      0.00000
    118       0.1231      0.00000
    119       0.5900      0.00000
    120       0.6230      0.00000
    121       0.8533      0.00000
    122       0.9752      0.00000
    123       0.9994      0.00000
    124       1.4914      0.00000
    125       1.6789      0.00000
    126       1.7407      0.00000
    127       1.8500      0.00000
    128       2.0897      0.00000
    129       2.1065      0.00000
    130       2.1677      0.00000
    131       2.2064      0.00000
    132       2.2416      0.00000
    133       2.3259      0.00000
    134       2.4895      0.00000
    135       2.4916      0.00000
    136       2.6553      0.00000
    137       2.8495      0.00000
    138       2.8565      0.00000
    139       2.9464      0.00000
    140       2.9782      0.00000
    141       3.0243      0.00000
    142       3.1305      0.00000
    143       3.1656      0.00000
    144       3.2319      0.00000
    145       3.2365      0.00000
    146       3.2730      0.00000
    147       3.2945      0.00000
    148       3.3468      0.00000
    149       3.3722      0.00000
    150       3.5361      0.00000
    151       3.5492      0.00000
    152       3.6340      0.00000
    153       3.6363      0.00000
    154       3.6688      0.00000
    155       3.6885      0.00000
    156       3.8882      0.00000
    157       3.9302      0.00000
    158       4.0314      0.00000
    159       4.0578      0.00000
    160       4.1610      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2836      1.00000
      2     -22.0793      1.00000
      3     -21.7208      1.00000
      4     -21.6820      1.00000
      5     -20.9833      1.00000
      6     -20.9361      1.00000
      7     -20.6119      1.00000
      8     -20.5800      1.00000
      9     -20.5667      1.00000
     10     -20.0331      1.00000
     11     -19.5142      1.00000
     12     -19.4843      1.00000
     13     -19.3126      1.00000
     14     -19.2994      1.00000
     15     -18.4504      1.00000
     16     -18.4078      1.00000
     17     -17.9288      1.00000
     18     -17.9084      1.00000
     19     -17.7668      1.00000
     20     -17.7223      1.00000
     21     -17.4429      1.00000
     22     -17.4245      1.00000
     23     -17.3395      1.00000
     24     -16.4722      1.00000
     25     -16.4624      1.00000
     26     -15.9711      1.00000
     27     -15.4124      1.00000
     28     -15.4113      1.00000
     29     -15.0972      1.00000
     30     -15.0944      1.00000
     31     -14.8549      1.00000
     32     -14.8424      1.00000
     33     -14.2988      1.00000
     34     -14.2554      1.00000
     35     -13.4454      1.00000
     36     -13.4019      1.00000
     37     -13.1768      1.00000
     38     -13.1753      1.00000
     39     -12.9863      1.00000
     40     -12.9774      1.00000
     41     -12.6126      1.00000
     42     -12.6103      1.00000
     43     -12.1980      1.00000
     44     -11.5810      1.00000
     45     -11.5402      1.00000
     46     -11.3151      1.00000
     47     -11.2850      1.00000
     48     -11.1432      1.00000
     49     -10.6931      1.00000
     50     -10.6651      1.00000
     51     -10.5459      1.00000
     52     -10.3235      1.00000
     53     -10.3158      1.00000
     54     -10.1762      1.00000
     55     -10.1235      1.00000
     56     -10.1098      1.00000
     57      -9.8113      1.00000
     58      -9.7533      1.00000
     59      -9.7533      1.00000
     60      -9.7037      1.00000
     61      -9.6999      1.00000
     62      -9.6470      1.00000
     63      -9.3540      1.00000
     64      -9.3526      1.00000
     65      -9.3203      1.00000
     66      -9.0275      1.00000
     67      -8.9631      1.00000
     68      -8.9590      1.00000
     69      -8.7759      1.00000
     70      -8.5942      1.00000
     71      -8.5873      1.00000
     72      -8.4237      1.00000
     73      -8.3503      1.00000
     74      -8.3243      1.00000
     75      -8.3040      1.00000
     76      -8.2682      1.00000
     77      -8.2567      1.00000
     78      -8.2420      1.00000
     79      -7.9221      1.00000
     80      -7.7345      1.00000
     81      -7.3809      1.00000
     82      -7.3515      1.00000
     83      -7.3224      1.00000
     84      -7.2189      1.00000
     85      -7.1605      1.00000
     86      -7.0668      1.00000
     87      -6.9614      1.00000
     88      -6.9065      1.00000
     89      -6.6166      1.00000
     90      -6.5581      1.00000
     91      -6.2744      1.00000
     92      -5.9974      1.00000
     93      -5.9602      1.00000
     94      -5.6759      1.00000
     95      -5.6491      1.00000
     96      -5.3883      1.00000
     97      -5.3162      1.00000
     98      -5.2947      1.00000
     99      -5.2132      1.00000
    100      -5.2014      1.00000
    101      -4.5101      1.00000
    102      -4.3354      1.00000
    103      -3.9968      1.00000
    104      -3.8867      1.00000
    105      -3.7925      1.00000
    106      -3.4414      1.00000
    107      -2.0362      0.00000
    108      -1.8661      0.00000
    109      -1.2196      0.00000
    110      -1.1863      0.00000
    111      -1.0382      0.00000
    112      -0.7748      0.00000
    113      -0.6801      0.00000
    114      -0.6623      0.00000
    115      -0.6119      0.00000
    116      -0.1056      0.00000
    117       0.2201      0.00000
    118       0.2366      0.00000
    119       0.7655      0.00000
    120       0.9783      0.00000
    121       1.0716      0.00000
    122       1.2362      0.00000
    123       1.2478      0.00000
    124       1.3328      0.00000
    125       1.5701      0.00000
    126       1.5817      0.00000
    127       1.6863      0.00000
    128       1.7955      0.00000
    129       1.9381      0.00000
    130       1.9403      0.00000
    131       2.0403      0.00000
    132       2.2567      0.00000
    133       2.3357      0.00000
    134       2.4143      0.00000
    135       2.5242      0.00000
    136       2.6281      0.00000
    137       2.7329      0.00000
    138       2.7841      0.00000
    139       2.8356      0.00000
    140       2.8565      0.00000
    141       3.0289      0.00000
    142       3.0945      0.00000
    143       3.1408      0.00000
    144       3.2052      0.00000
    145       3.3422      0.00000
    146       3.3980      0.00000
    147       3.4949      0.00000
    148       3.5205      0.00000
    149       3.5821      0.00000
    150       3.6054      0.00000
    151       3.6169      0.00000
    152       3.7267      0.00000
    153       3.7294      0.00000
    154       3.7497      0.00000
    155       3.7840      0.00000
    156       3.8487      0.00000
    157       3.9930      0.00000
    158       4.0808      0.00000
    159       4.1630      0.00000
    160       4.1859      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4268      1.00000
      2     -21.6029      1.00000
      3     -21.4823      1.00000
      4     -21.4732      1.00000
      5     -21.4417      1.00000
      6     -21.4412      1.00000
      7     -21.4308      1.00000
      8     -19.7077      1.00000
      9     -19.6533      1.00000
     10     -19.6304      1.00000
     11     -19.6195      1.00000
     12     -19.6144      1.00000
     13     -19.6130      1.00000
     14     -18.7907      1.00000
     15     -18.7555      1.00000
     16     -18.7359      1.00000
     17     -18.7265      1.00000
     18     -18.7192      1.00000
     19     -18.7143      1.00000
     20     -16.6358      1.00000
     21     -16.6102      1.00000
     22     -16.5865      1.00000
     23     -16.5829      1.00000
     24     -16.5558      1.00000
     25     -16.5543      1.00000
     26     -15.6151      1.00000
     27     -15.6033      1.00000
     28     -15.5998      1.00000
     29     -15.5660      1.00000
     30     -15.5643      1.00000
     31     -15.5627      1.00000
     32     -14.2607      1.00000
     33     -14.2516      1.00000
     34     -14.2423      1.00000
     35     -14.2373      1.00000
     36     -14.2236      1.00000
     37     -14.2210      1.00000
     38     -11.9069      1.00000
     39     -11.8806      1.00000
     40     -11.8698      1.00000
     41     -11.8669      1.00000
     42     -11.8467      1.00000
     43     -11.8466      1.00000
     44     -11.7722      1.00000
     45     -11.7701      1.00000
     46     -11.7367      1.00000
     47     -11.7303      1.00000
     48     -11.7268      1.00000
     49     -11.7235      1.00000
     50     -10.6744      1.00000
     51     -10.3896      1.00000
     52     -10.3853      1.00000
     53     -10.3782      1.00000
     54     -10.3698      1.00000
     55     -10.3574      1.00000
     56     -10.3547      1.00000
     57      -9.9022      1.00000
     58      -9.4501      1.00000
     59      -9.4058      1.00000
     60      -9.3631      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1435      1.00000
     64      -9.1241      1.00000
     65      -9.1226      1.00000
     66      -9.0869      1.00000
     67      -9.0733      1.00000
     68      -9.0727      1.00000
     69      -9.0723      1.00000
     70      -9.0667      1.00000
     71      -9.0658      1.00000
     72      -9.0407      1.00000
     73      -9.0306      1.00000
     74      -9.0277      1.00000
     75      -8.1304      1.00000
     76      -7.7417      1.00000
     77      -7.4712      1.00000
     78      -7.4679      1.00000
     79      -7.4560      1.00000
     80      -7.4367      1.00000
     81      -7.4263      1.00000
     82      -7.4090      1.00000
     83      -7.3127      1.00000
     84      -7.2714      1.00000
     85      -7.2581      1.00000
     86      -7.2497      1.00000
     87      -7.1524      1.00000
     88      -7.0504      1.00000
     89      -6.4471      1.00000
     90      -6.4164      1.00000
     91      -6.4009      1.00000
     92      -6.3646      1.00000
     93      -6.3540      1.00000
     94      -6.3422      1.00000
     95      -5.9617      1.00000
     96      -5.9597      1.00000
     97      -4.8039      1.00000
     98      -4.5436      1.00000
     99      -4.4829      1.00000
    100      -4.4735      1.00000
    101      -4.3839      1.00000
    102      -4.3832      1.00000
    103      -4.2682      1.00000
    104      -4.1864      1.00000
    105      -3.7392      1.00000
    106      -3.4748      1.00000
    107      -1.8633      0.00000
    108      -1.6735      0.00000
    109      -1.6261      0.00000
    110      -1.5939      0.00000
    111      -1.5780      0.00000
    112      -1.5773      0.00000
    113      -0.4316      0.00000
    114       0.1425      0.00000
    115       0.1896      0.00000
    116       0.2528      0.00000
    117       0.2653      0.00000
    118       0.2684      0.00000
    119       0.4733      0.00000
    120       0.5427      0.00000
    121       1.2433      0.00000
    122       1.2880      0.00000
    123       1.5117      0.00000
    124       1.7636      0.00000
    125       1.7639      0.00000
    126       1.7661      0.00000
    127       1.7734      0.00000
    128       1.8262      0.00000
    129       1.9552      0.00000
    130       1.9659      0.00000
    131       1.9713      0.00000
    132       1.9857      0.00000
    133       1.9933      0.00000
    134       2.0703      0.00000
    135       2.2529      0.00000
    136       2.3349      0.00000
    137       2.5898      0.00000
    138       2.5934      0.00000
    139       2.6039      0.00000
    140       2.6955      0.00000
    141       2.9437      0.00000
    142       3.0193      0.00000
    143       3.0255      0.00000
    144       3.0406      0.00000
    145       3.0426      0.00000
    146       3.0509      0.00000
    147       3.0861      0.00000
    148       3.2670      0.00000
    149       3.4070      0.00000
    150       3.4990      0.00000
    151       3.8222      0.00000
    152       3.9022      0.00000
    153       3.9246      0.00000
    154       3.9319      0.00000
    155       3.9611      0.00000
    156       4.0007      0.00000
    157       4.1720      0.00000
    158       4.2560      0.00000
    159       4.2690      0.00000
    160       4.2777      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3901      1.00000
      2     -21.8310      1.00000
      3     -21.6389      1.00000
      4     -21.6113      1.00000
      5     -21.2753      1.00000
      6     -21.2362      1.00000
      7     -21.0579      1.00000
      8     -20.1684      1.00000
      9     -20.1306      1.00000
     10     -19.6095      1.00000
     11     -19.5984      1.00000
     12     -19.4183      1.00000
     13     -19.0904      1.00000
     14     -19.0610      1.00000
     15     -19.0502      1.00000
     16     -19.0426      1.00000
     17     -18.3618      1.00000
     18     -18.3533      1.00000
     19     -18.0203      1.00000
     20     -17.0702      1.00000
     21     -17.0319      1.00000
     22     -16.9456      1.00000
     23     -16.9414      1.00000
     24     -16.4693      1.00000
     25     -16.4647      1.00000
     26     -15.6148      1.00000
     27     -15.6086      1.00000
     28     -15.2538      1.00000
     29     -15.2449      1.00000
     30     -15.1861      1.00000
     31     -15.0994      1.00000
     32     -15.0727      1.00000
     33     -14.6998      1.00000
     34     -14.6977      1.00000
     35     -13.7280      1.00000
     36     -13.7252      1.00000
     37     -13.2375      1.00000
     38     -12.6160      1.00000
     39     -12.5860      1.00000
     40     -12.4557      1.00000
     41     -12.4518      1.00000
     42     -12.1110      1.00000
     43     -12.1062      1.00000
     44     -11.7182      1.00000
     45     -11.6875      1.00000
     46     -11.2367      1.00000
     47     -11.2281      1.00000
     48     -11.0193      1.00000
     49     -11.0114      1.00000
     50     -10.9277      1.00000
     51     -10.9065      1.00000
     52     -10.6291      1.00000
     53     -10.1570      1.00000
     54     -10.1524      1.00000
     55     -10.0942      1.00000
     56      -9.9974      1.00000
     57      -9.7038      1.00000
     58      -9.6969      1.00000
     59      -9.6566      1.00000
     60      -9.5929      1.00000
     61      -9.5781      1.00000
     62      -9.5600      1.00000
     63      -9.3091      1.00000
     64      -9.3051      1.00000
     65      -9.2743      1.00000
     66      -9.2378      1.00000
     67      -9.1370      1.00000
     68      -9.1177      1.00000
     69      -9.1127      1.00000
     70      -8.9402      1.00000
     71      -8.8735      1.00000
     72      -8.6063      1.00000
     73      -8.5928      1.00000
     74      -8.2363      1.00000
     75      -8.1031      1.00000
     76      -7.9122      1.00000
     77      -7.8653      1.00000
     78      -7.7739      1.00000
     79      -7.7590      1.00000
     80      -7.6931      1.00000
     81      -7.5592      1.00000
     82      -7.3413      1.00000
     83      -7.3251      1.00000
     84      -7.2052      1.00000
     85      -7.1242      1.00000
     86      -7.0332      1.00000
     87      -7.0140      1.00000
     88      -6.7051      1.00000
     89      -6.6789      1.00000
     90      -6.6421      1.00000
     91      -6.5991      1.00000
     92      -6.1190      1.00000
     93      -6.0636      1.00000
     94      -6.0324      1.00000
     95      -6.0126      1.00000
     96      -5.7839      1.00000
     97      -4.9732      1.00000
     98      -4.8328      1.00000
     99      -4.7480      1.00000
    100      -4.6803      1.00000
    101      -4.4675      1.00000
    102      -4.2019      1.00000
    103      -4.1727      1.00000
    104      -4.1290      1.00000
    105      -3.7296      1.00000
    106      -3.4848      1.00000
    107      -1.8722      0.00000
    108      -1.8114      0.00000
    109      -1.5263      0.00000
    110      -1.3797      0.00000
    111      -1.3239      0.00000
    112      -1.2906      0.00000
    113      -0.7222      0.00000
    114      -0.3787      0.00000
    115      -0.2523      0.00000
    116       0.0332      0.00000
    117       0.5509      0.00000
    118       0.6950      0.00000
    119       0.7433      0.00000
    120       1.0445      0.00000
    121       1.0967      0.00000
    122       1.1453      0.00000
    123       1.2241      0.00000
    124       1.3753      0.00000
    125       1.5117      0.00000
    126       1.5650      0.00000
    127       1.7092      0.00000
    128       1.7941      0.00000
    129       1.8517      0.00000
    130       1.8777      0.00000
    131       2.0795      0.00000
    132       2.1779      0.00000
    133       2.2290      0.00000
    134       2.2888      0.00000
    135       2.5062      0.00000
    136       2.5775      0.00000
    137       2.5967      0.00000
    138       2.7631      0.00000
    139       2.7813      0.00000
    140       2.8173      0.00000
    141       2.8292      0.00000
    142       2.8795      0.00000
    143       2.9241      0.00000
    144       3.0541      0.00000
    145       3.1478      0.00000
    146       3.2736      0.00000
    147       3.3464      0.00000
    148       3.3979      0.00000
    149       3.4546      0.00000
    150       3.5833      0.00000
    151       3.6253      0.00000
    152       3.6498      0.00000
    153       3.6979      0.00000
    154       3.8920      0.00000
    155       3.9287      0.00000
    156       4.0028      0.00000
    157       4.0448      0.00000
    158       4.2151      0.00000
    159       4.2337      0.00000
    160       4.2570      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2840      1.00000
      2     -22.0787      1.00000
      3     -21.7173      1.00000
      4     -21.6858      1.00000
      5     -20.9800      1.00000
      6     -20.9399      1.00000
      7     -20.6125      1.00000
      8     -20.5762      1.00000
      9     -20.5700      1.00000
     10     -20.0337      1.00000
     11     -19.5043      1.00000
     12     -19.4926      1.00000
     13     -19.3079      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4123      1.00000
     17     -17.9235      1.00000
     18     -17.9141      1.00000
     19     -17.7627      1.00000
     20     -17.7273      1.00000
     21     -17.4373      1.00000
     22     -17.4298      1.00000
     23     -17.3424      1.00000
     24     -16.4642      1.00000
     25     -16.4631      1.00000
     26     -15.9682      1.00000
     27     -15.4151      1.00000
     28     -15.4102      1.00000
     29     -15.0975      1.00000
     30     -15.0945      1.00000
     31     -14.8567      1.00000
     32     -14.8489      1.00000
     33     -14.2919      1.00000
     34     -14.2592      1.00000
     35     -13.4384      1.00000
     36     -13.4061      1.00000
     37     -13.1790      1.00000
     38     -13.1754      1.00000
     39     -12.9829      1.00000
     40     -12.9780      1.00000
     41     -12.6148      1.00000
     42     -12.6112      1.00000
     43     -12.1997      1.00000
     44     -11.5775      1.00000
     45     -11.5439      1.00000
     46     -11.3116      1.00000
     47     -11.2890      1.00000
     48     -11.1440      1.00000
     49     -10.6770      1.00000
     50     -10.6626      1.00000
     51     -10.5515      1.00000
     52     -10.3254      1.00000
     53     -10.3191      1.00000
     54     -10.1700      1.00000
     55     -10.1172      1.00000
     56     -10.1142      1.00000
     57      -9.7984      1.00000
     58      -9.7670      1.00000
     59      -9.7529      1.00000
     60      -9.7014      1.00000
     61      -9.6994      1.00000
     62      -9.6622      1.00000
     63      -9.3568      1.00000
     64      -9.3528      1.00000
     65      -9.3168      1.00000
     66      -9.0409      1.00000
     67      -8.9646      1.00000
     68      -8.9504      1.00000
     69      -8.7996      1.00000
     70      -8.5957      1.00000
     71      -8.5585      1.00000
     72      -8.3984      1.00000
     73      -8.3656      1.00000
     74      -8.3263      1.00000
     75      -8.3087      1.00000
     76      -8.2608      1.00000
     77      -8.2591      1.00000
     78      -8.2380      1.00000
     79      -7.9057      1.00000
     80      -7.6510      1.00000
     81      -7.5480      1.00000
     82      -7.3888      1.00000
     83      -7.3519      1.00000
     84      -7.2338      1.00000
     85      -7.0975      1.00000
     86      -7.0398      1.00000
     87      -6.9348      1.00000
     88      -6.8497      1.00000
     89      -6.6144      1.00000
     90      -6.5617      1.00000
     91      -6.2716      1.00000
     92      -6.0440      1.00000
     93      -5.9525      1.00000
     94      -5.6634      1.00000
     95      -5.6239      1.00000
     96      -5.4630      1.00000
     97      -5.3205      1.00000
     98      -5.2799      1.00000
     99      -5.2150      1.00000
    100      -5.1953      1.00000
    101      -4.5064      1.00000
    102      -4.2055      1.00000
    103      -4.0589      1.00000
    104      -3.9906      1.00000
    105      -3.6947      1.00000
    106      -3.4950      1.00000
    107      -1.9481      0.00000
    108      -1.8991      0.00000
    109      -1.3403      0.00000
    110      -1.0874      0.00000
    111      -1.0604      0.00000
    112      -0.8029      0.00000
    113      -0.6798      0.00000
    114      -0.6494      0.00000
    115      -0.6099      0.00000
    116      -0.1116      0.00000
    117       0.2125      0.00000
    118       0.3257      0.00000
    119       0.6887      0.00000
    120       0.8829      0.00000
    121       1.1225      0.00000
    122       1.1961      0.00000
    123       1.3221      0.00000
    124       1.4100      0.00000
    125       1.5514      0.00000
    126       1.5734      0.00000
    127       1.6731      0.00000
    128       1.8127      0.00000
    129       1.8573      0.00000
    130       2.0282      0.00000
    131       2.0874      0.00000
    132       2.2928      0.00000
    133       2.3466      0.00000
    134       2.3825      0.00000
    135       2.5376      0.00000
    136       2.6230      0.00000
    137       2.7173      0.00000
    138       2.7224      0.00000
    139       2.7877      0.00000
    140       2.8722      0.00000
    141       3.0314      0.00000
    142       3.0465      0.00000
    143       3.1562      0.00000
    144       3.2523      0.00000
    145       3.3396      0.00000
    146       3.3962      0.00000
    147       3.4189      0.00000
    148       3.5592      0.00000
    149       3.5737      0.00000
    150       3.5834      0.00000
    151       3.6444      0.00000
    152       3.6599      0.00000
    153       3.7560      0.00000
    154       3.7634      0.00000
    155       3.7798      0.00000
    156       3.8599      0.00000
    157       3.9133      0.00000
    158       3.9663      0.00000
    159       4.2069      0.00000
    160       4.2222      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3181      1.00000
      2     -21.9633      1.00000
      3     -21.8947      1.00000
      4     -21.3816      1.00000
      5     -21.3526      1.00000
      6     -20.8403      1.00000
      7     -20.7756      1.00000
      8     -20.6251      1.00000
      9     -20.0784      1.00000
     10     -20.0729      1.00000
     11     -19.7178      1.00000
     12     -19.6935      1.00000
     13     -18.9974      1.00000
     14     -18.9917      1.00000
     15     -18.6416      1.00000
     16     -18.6258      1.00000
     17     -18.4634      1.00000
     18     -17.6763      1.00000
     19     -17.6264      1.00000
     20     -17.6235      1.00000
     21     -17.5820      1.00000
     22     -17.1278      1.00000
     23     -17.1064      1.00000
     24     -16.9635      1.00000
     25     -16.0034      1.00000
     26     -15.9301      1.00000
     27     -15.5870      1.00000
     28     -15.5868      1.00000
     29     -15.2881      1.00000
     30     -14.8656      1.00000
     31     -14.8384      1.00000
     32     -14.5805      1.00000
     33     -14.5391      1.00000
     34     -14.1696      1.00000
     35     -14.1562      1.00000
     36     -13.1501      1.00000
     37     -13.1018      1.00000
     38     -13.0316      1.00000
     39     -13.0215      1.00000
     40     -12.7109      1.00000
     41     -12.7069      1.00000
     42     -12.3425      1.00000
     43     -12.3115      1.00000
     44     -11.6371      1.00000
     45     -11.6237      1.00000
     46     -11.5730      1.00000
     47     -10.9506      1.00000
     48     -10.9178      1.00000
     49     -10.6323      1.00000
     50     -10.6268      1.00000
     51     -10.5478      1.00000
     52     -10.5010      1.00000
     53     -10.5007      1.00000
     54     -10.4422      1.00000
     55     -10.3626      1.00000
     56     -10.0989      1.00000
     57      -9.9040      1.00000
     58      -9.6107      1.00000
     59      -9.5588      1.00000
     60      -9.4531      1.00000
     61      -9.4136      1.00000
     62      -9.4060      1.00000
     63      -9.3796      1.00000
     64      -9.3793      1.00000
     65      -9.2874      1.00000
     66      -9.1701      1.00000
     67      -9.1448      1.00000
     68      -9.1159      1.00000
     69      -8.8660      1.00000
     70      -8.8587      1.00000
     71      -8.8153      1.00000
     72      -8.5976      1.00000
     73      -8.4804      1.00000
     74      -8.2003      1.00000
     75      -8.1651      1.00000
     76      -8.0096      1.00000
     77      -7.9619      1.00000
     78      -7.8533      1.00000
     79      -7.8431      1.00000
     80      -7.7069      1.00000
     81      -7.6993      1.00000
     82      -7.6234      1.00000
     83      -7.4487      1.00000
     84      -7.3021      1.00000
     85      -7.2532      1.00000
     86      -6.9084      1.00000
     87      -6.8948      1.00000
     88      -6.5895      1.00000
     89      -6.5523      1.00000
     90      -6.4097      1.00000
     91      -6.2544      1.00000
     92      -6.2343      1.00000
     93      -6.2069      1.00000
     94      -6.0235      1.00000
     95      -5.5505      1.00000
     96      -5.4894      1.00000
     97      -5.3504      1.00000
     98      -5.2210      1.00000
     99      -4.9809      1.00000
    100      -4.7322      1.00000
    101      -4.6787      1.00000
    102      -4.3874      1.00000
    103      -4.2009      1.00000
    104      -3.8698      1.00000
    105      -3.5482      1.00000
    106      -3.5066      1.00000
    107      -2.2586      0.00000
    108      -1.4580      0.00000
    109      -1.3737      0.00000
    110      -1.2440      0.00000
    111      -1.1000      0.00000
    112      -0.9475      0.00000
    113      -0.8664      0.00000
    114      -0.8060      0.00000
    115      -0.1432      0.00000
    116       0.1081      0.00000
    117       0.2384      0.00000
    118       0.3745      0.00000
    119       0.6461      0.00000
    120       0.8326      0.00000
    121       0.9336      0.00000
    122       1.0605      0.00000
    123       1.2233      0.00000
    124       1.4421      0.00000
    125       1.5482      0.00000
    126       1.7631      0.00000
    127       1.7836      0.00000
    128       1.8554      0.00000
    129       1.9496      0.00000
    130       2.0251      0.00000
    131       2.1646      0.00000
    132       2.1734      0.00000
    133       2.3995      0.00000
    134       2.4045      0.00000
    135       2.5055      0.00000
    136       2.6011      0.00000
    137       2.6300      0.00000
    138       2.6833      0.00000
    139       2.7624      0.00000
    140       2.8373      0.00000
    141       2.9407      0.00000
    142       3.0670      0.00000
    143       3.1771      0.00000
    144       3.1916      0.00000
    145       3.2182      0.00000
    146       3.2897      0.00000
    147       3.2979      0.00000
    148       3.4544      0.00000
    149       3.4835      0.00000
    150       3.6711      0.00000
    151       3.7039      0.00000
    152       3.7067      0.00000
    153       3.8520      0.00000
    154       3.9034      0.00000
    155       3.9371      0.00000
    156       3.9601      0.00000
    157       3.9882      0.00000
    158       4.0200      0.00000
    159       4.0364      0.00000
    160       4.0537      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2107      1.00000
      2     -22.1185      1.00000
      3     -21.9577      1.00000
      4     -21.4052      1.00000
      5     -21.0505      1.00000
      6     -21.0149      1.00000
      7     -20.5014      1.00000
      8     -20.4623      1.00000
      9     -20.2959      1.00000
     10     -20.2768      1.00000
     11     -19.9584      1.00000
     12     -19.8930      1.00000
     13     -18.8834      1.00000
     14     -18.8151      1.00000
     15     -18.3539      1.00000
     16     -18.3080      1.00000
     17     -18.1543      1.00000
     18     -18.1373      1.00000
     19     -17.8279      1.00000
     20     -17.7907      1.00000
     21     -17.2533      1.00000
     22     -17.2432      1.00000
     23     -17.1665      1.00000
     24     -17.1343      1.00000
     25     -16.1113      1.00000
     26     -15.8864      1.00000
     27     -15.8715      1.00000
     28     -15.8358      1.00000
     29     -15.2382      1.00000
     30     -14.5564      1.00000
     31     -14.5287      1.00000
     32     -14.2820      1.00000
     33     -13.9657      1.00000
     34     -13.9581      1.00000
     35     -13.8223      1.00000
     36     -13.8065      1.00000
     37     -13.6162      1.00000
     38     -13.5726      1.00000
     39     -13.3710      1.00000
     40     -12.6358      1.00000
     41     -12.1826      1.00000
     42     -12.1348      1.00000
     43     -12.0732      1.00000
     44     -12.0211      1.00000
     45     -11.6717      1.00000
     46     -11.6584      1.00000
     47     -11.1406      1.00000
     48     -11.1204      1.00000
     49     -10.7960      1.00000
     50     -10.7325      1.00000
     51     -10.5263      1.00000
     52     -10.2110      1.00000
     53     -10.2071      1.00000
     54     -10.1651      1.00000
     55     -10.0198      1.00000
     56     -10.0050      1.00000
     57      -9.9921      1.00000
     58      -9.8033      1.00000
     59      -9.7997      1.00000
     60      -9.7646      1.00000
     61      -9.7600      1.00000
     62      -9.4560      1.00000
     63      -9.4171      1.00000
     64      -9.0805      1.00000
     65      -9.0744      1.00000
     66      -9.0430      1.00000
     67      -8.9571      1.00000
     68      -8.8776      1.00000
     69      -8.7144      1.00000
     70      -8.7020      1.00000
     71      -8.5674      1.00000
     72      -8.5447      1.00000
     73      -8.4994      1.00000
     74      -8.4652      1.00000
     75      -8.4548      1.00000
     76      -8.2603      1.00000
     77      -8.1260      1.00000
     78      -8.0438      1.00000
     79      -7.9182      1.00000
     80      -7.8630      1.00000
     81      -7.6160      1.00000
     82      -7.5501      1.00000
     83      -7.4912      1.00000
     84      -7.2681      1.00000
     85      -6.9980      1.00000
     86      -6.9262      1.00000
     87      -6.8850      1.00000
     88      -6.5347      1.00000
     89      -6.4891      1.00000
     90      -6.4621      1.00000
     91      -6.4113      1.00000
     92      -5.9841      1.00000
     93      -5.8981      1.00000
     94      -5.7855      1.00000
     95      -5.7608      1.00000
     96      -5.4320      1.00000
     97      -5.3299      1.00000
     98      -5.2314      1.00000
     99      -5.2187      1.00000
    100      -5.1899      1.00000
    101      -4.6922      1.00000
    102      -4.4209      1.00000
    103      -4.2073      1.00000
    104      -3.8327      1.00000
    105      -3.5257      1.00000
    106      -3.2762      1.00000
    107      -2.5335      0.00000
    108      -1.4594      0.00000
    109      -1.2693      0.00000
    110      -1.2052      0.00000
    111      -1.1745      0.00000
    112      -0.7223      0.00000
    113      -0.5063      0.00000
    114      -0.4149      0.00000
    115      -0.3418      0.00000
    116      -0.1488      0.00000
    117      -0.0058      0.00000
    118       0.1902      0.00000
    119       0.5582      0.00000
    120       0.6095      0.00000
    121       0.7901      0.00000
    122       0.9040      0.00000
    123       1.1245      0.00000
    124       1.4836      0.00000
    125       1.6407      0.00000
    126       1.8291      0.00000
    127       1.9181      0.00000
    128       2.0835      0.00000
    129       2.0985      0.00000
    130       2.1112      0.00000
    131       2.1690      0.00000
    132       2.2763      0.00000
    133       2.3028      0.00000
    134       2.4601      0.00000
    135       2.5621      0.00000
    136       2.6513      0.00000
    137       2.8436      0.00000
    138       2.8664      0.00000
    139       2.8864      0.00000
    140       2.9849      0.00000
    141       3.0215      0.00000
    142       3.1350      0.00000
    143       3.1516      0.00000
    144       3.2167      0.00000
    145       3.2671      0.00000
    146       3.2783      0.00000
    147       3.2940      0.00000
    148       3.3386      0.00000
    149       3.3957      0.00000
    150       3.4246      0.00000
    151       3.5127      0.00000
    152       3.6048      0.00000
    153       3.6692      0.00000
    154       3.6928      0.00000
    155       3.7656      0.00000
    156       3.8876      0.00000
    157       3.9239      0.00000
    158       3.9937      0.00000
    159       4.1120      0.00000
    160       4.2224      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.9649      1.00000
      3     -21.8932      1.00000
      4     -21.3853      1.00000
      5     -21.3492      1.00000
      6     -20.8402      1.00000
      7     -20.7741      1.00000
      8     -20.6259      1.00000
      9     -20.0904      1.00000
     10     -20.0620      1.00000
     11     -19.7194      1.00000
     12     -19.6908      1.00000
     13     -19.0107      1.00000
     14     -18.9800      1.00000
     15     -18.6509      1.00000
     16     -18.6184      1.00000
     17     -18.4618      1.00000
     18     -17.6617      1.00000
     19     -17.6479      1.00000
     20     -17.6120      1.00000
     21     -17.5794      1.00000
     22     -17.1385      1.00000
     23     -17.0988      1.00000
     24     -16.9675      1.00000
     25     -16.0098      1.00000
     26     -15.9243      1.00000
     27     -15.5999      1.00000
     28     -15.5767      1.00000
     29     -15.2814      1.00000
     30     -14.8779      1.00000
     31     -14.8312      1.00000
     32     -14.5762      1.00000
     33     -14.5384      1.00000
     34     -14.1656      1.00000
     35     -14.1614      1.00000
     36     -13.1637      1.00000
     37     -13.0971      1.00000
     38     -13.0246      1.00000
     39     -13.0202      1.00000
     40     -12.7193      1.00000
     41     -12.6964      1.00000
     42     -12.3420      1.00000
     43     -12.3148      1.00000
     44     -11.6335      1.00000
     45     -11.6244      1.00000
     46     -11.5716      1.00000
     47     -10.9424      1.00000
     48     -10.9245      1.00000
     49     -10.6684      1.00000
     50     -10.5916      1.00000
     51     -10.5739      1.00000
     52     -10.5028      1.00000
     53     -10.4898      1.00000
     54     -10.4408      1.00000
     55     -10.3576      1.00000
     56     -10.1034      1.00000
     57      -9.8982      1.00000
     58      -9.6101      1.00000
     59      -9.5528      1.00000
     60      -9.4540      1.00000
     61      -9.4203      1.00000
     62      -9.4107      1.00000
     63      -9.3813      1.00000
     64      -9.3736      1.00000
     65      -9.2680      1.00000
     66      -9.1674      1.00000
     67      -9.1433      1.00000
     68      -9.1177      1.00000
     69      -8.8679      1.00000
     70      -8.8621      1.00000
     71      -8.8024      1.00000
     72      -8.5968      1.00000
     73      -8.5263      1.00000
     74      -8.1952      1.00000
     75      -8.1726      1.00000
     76      -8.0764      1.00000
     77      -7.8596      1.00000
     78      -7.8388      1.00000
     79      -7.8236      1.00000
     80      -7.7122      1.00000
     81      -7.6981      1.00000
     82      -7.5988      1.00000
     83      -7.5289      1.00000
     84      -7.3513      1.00000
     85      -7.1688      1.00000
     86      -6.9076      1.00000
     87      -6.8980      1.00000
     88      -6.5934      1.00000
     89      -6.5525      1.00000
     90      -6.4080      1.00000
     91      -6.3033      1.00000
     92      -6.2484      1.00000
     93      -6.2035      1.00000
     94      -6.0048      1.00000
     95      -5.5321      1.00000
     96      -5.4668      1.00000
     97      -5.3148      1.00000
     98      -5.2109      1.00000
     99      -5.0469      1.00000
    100      -4.7238      1.00000
    101      -4.6721      1.00000
    102      -4.4230      1.00000
    103      -4.1931      1.00000
    104      -3.8415      1.00000
    105      -3.6337      1.00000
    106      -3.4158      1.00000
    107      -2.2947      0.00000
    108      -1.5110      0.00000
    109      -1.2726      0.00000
    110      -1.2649      0.00000
    111      -1.0366      0.00000
    112      -0.9801      0.00000
    113      -0.8705      0.00000
    114      -0.8020      0.00000
    115      -0.2648      0.00000
    116       0.2013      0.00000
    117       0.2366      0.00000
    118       0.3565      0.00000
    119       0.6861      0.00000
    120       0.8908      0.00000
    121       0.9204      0.00000
    122       1.0359      0.00000
    123       1.1616      0.00000
    124       1.5053      0.00000
    125       1.5454      0.00000
    126       1.7003      0.00000
    127       1.7755      0.00000
    128       1.8231      0.00000
    129       1.9419      0.00000
    130       1.9688      0.00000
    131       2.1613      0.00000
    132       2.2564      0.00000
    133       2.3966      0.00000
    134       2.4099      0.00000
    135       2.5094      0.00000
    136       2.5958      0.00000
    137       2.6150      0.00000
    138       2.6904      0.00000
    139       2.7444      0.00000
    140       2.8539      0.00000
    141       3.0302      0.00000
    142       3.0613      0.00000
    143       3.1774      0.00000
    144       3.2053      0.00000
    145       3.2233      0.00000
    146       3.2797      0.00000
    147       3.3202      0.00000
    148       3.4306      0.00000
    149       3.5086      0.00000
    150       3.6905      0.00000
    151       3.7031      0.00000
    152       3.7144      0.00000
    153       3.8162      0.00000
    154       3.8790      0.00000
    155       3.9116      0.00000
    156       3.9728      0.00000
    157       3.9802      0.00000
    158       4.0209      0.00000
    159       4.0467      0.00000
    160       4.0861      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3901      1.00000
      2     -21.8313      1.00000
      3     -21.6420      1.00000
      4     -21.6074      1.00000
      5     -21.2794      1.00000
      6     -21.2328      1.00000
      7     -21.0574      1.00000
      8     -20.1721      1.00000
      9     -20.1265      1.00000
     10     -19.6179      1.00000
     11     -19.5918      1.00000
     12     -19.4166      1.00000
     13     -19.0954      1.00000
     14     -19.0572      1.00000
     15     -19.0528      1.00000
     16     -19.0399      1.00000
     17     -18.3680      1.00000
     18     -18.3482      1.00000
     19     -18.0178      1.00000
     20     -17.0732      1.00000
     21     -17.0251      1.00000
     22     -16.9511      1.00000
     23     -16.9373      1.00000
     24     -16.4762      1.00000
     25     -16.4646      1.00000
     26     -15.6107      1.00000
     27     -15.6103      1.00000
     28     -15.2513      1.00000
     29     -15.2391      1.00000
     30     -15.1923      1.00000
     31     -15.1024      1.00000
     32     -15.0696      1.00000
     33     -14.6999      1.00000
     34     -14.6988      1.00000
     35     -13.7266      1.00000
     36     -13.7264      1.00000
     37     -13.2364      1.00000
     38     -12.6255      1.00000
     39     -12.5817      1.00000
     40     -12.4558      1.00000
     41     -12.4503      1.00000
     42     -12.1071      1.00000
     43     -12.1020      1.00000
     44     -11.7232      1.00000
     45     -11.6849      1.00000
     46     -11.2470      1.00000
     47     -11.2266      1.00000
     48     -11.0189      1.00000
     49     -11.0071      1.00000
     50     -10.9293      1.00000
     51     -10.9009      1.00000
     52     -10.6351      1.00000
     53     -10.1732      1.00000
     54     -10.1507      1.00000
     55     -10.0862      1.00000
     56      -9.9912      1.00000
     57      -9.6978      1.00000
     58      -9.6907      1.00000
     59      -9.6711      1.00000
     60      -9.5939      1.00000
     61      -9.5696      1.00000
     62      -9.5538      1.00000
     63      -9.3140      1.00000
     64      -9.3015      1.00000
     65      -9.2831      1.00000
     66      -9.2454      1.00000
     67      -9.1230      1.00000
     68      -9.1140      1.00000
     69      -9.1120      1.00000
     70      -8.9399      1.00000
     71      -8.8777      1.00000
     72      -8.6073      1.00000
     73      -8.5888      1.00000
     74      -8.2703      1.00000
     75      -8.1029      1.00000
     76      -7.8703      1.00000
     77      -7.8443      1.00000
     78      -7.7904      1.00000
     79      -7.7659      1.00000
     80      -7.7575      1.00000
     81      -7.4459      1.00000
     82      -7.3363      1.00000
     83      -7.3247      1.00000
     84      -7.2666      1.00000
     85      -7.1642      1.00000
     86      -7.0179      1.00000
     87      -6.9876      1.00000
     88      -6.7182      1.00000
     89      -6.6918      1.00000
     90      -6.6325      1.00000
     91      -6.5919      1.00000
     92      -6.1192      1.00000
     93      -6.0613      1.00000
     94      -6.0455      1.00000
     95      -6.0301      1.00000
     96      -5.7493      1.00000
     97      -4.9737      1.00000
     98      -4.8397      1.00000
     99      -4.7104      1.00000
    100      -4.6748      1.00000
    101      -4.4832      1.00000
    102      -4.3494      1.00000
    103      -4.1127      1.00000
    104      -4.0560      1.00000
    105      -3.7548      1.00000
    106      -3.4629      1.00000
    107      -1.9522      0.00000
    108      -1.7738      0.00000
    109      -1.4824      0.00000
    110      -1.3578      0.00000
    111      -1.3384      0.00000
    112      -1.2945      0.00000
    113      -0.6809      0.00000
    114      -0.4741      0.00000
    115      -0.2379      0.00000
    116       0.0477      0.00000
    117       0.5824      0.00000
    118       0.6898      0.00000
    119       0.7664      0.00000
    120       1.0182      0.00000
    121       1.0943      0.00000
    122       1.1739      0.00000
    123       1.2473      0.00000
    124       1.3334      0.00000
    125       1.4182      0.00000
    126       1.5801      0.00000
    127       1.7488      0.00000
    128       1.8373      0.00000
    129       1.8535      0.00000
    130       1.8814      0.00000
    131       2.0221      0.00000
    132       2.2038      0.00000
    133       2.2327      0.00000
    134       2.2678      0.00000
    135       2.4697      0.00000
    136       2.5960      0.00000
    137       2.6241      0.00000
    138       2.7350      0.00000
    139       2.7553      0.00000
    140       2.8303      0.00000
    141       2.8362      0.00000
    142       2.8410      0.00000
    143       2.9240      0.00000
    144       3.0600      0.00000
    145       3.2718      0.00000
    146       3.3419      0.00000
    147       3.3797      0.00000
    148       3.3943      0.00000
    149       3.4126      0.00000
    150       3.5585      0.00000
    151       3.6082      0.00000
    152       3.6660      0.00000
    153       3.7186      0.00000
    154       3.8859      0.00000
    155       3.8972      0.00000
    156       3.9306      0.00000
    157       4.0800      0.00000
    158       4.1796      0.00000
    159       4.2496      0.00000
    160       4.3788      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2098      1.00000
      2     -22.1199      1.00000
      3     -21.9574      1.00000
      4     -21.4054      1.00000
      5     -21.0467      1.00000
      6     -21.0187      1.00000
      7     -20.4966      1.00000
      8     -20.4671      1.00000
      9     -20.2871      1.00000
     10     -20.2851      1.00000
     11     -19.9574      1.00000
     12     -19.8948      1.00000
     13     -18.8841      1.00000
     14     -18.8172      1.00000
     15     -18.3387      1.00000
     16     -18.3196      1.00000
     17     -18.1502      1.00000
     18     -18.1428      1.00000
     19     -17.8169      1.00000
     20     -17.7988      1.00000
     21     -17.2593      1.00000
     22     -17.2400      1.00000
     23     -17.1616      1.00000
     24     -17.1369      1.00000
     25     -16.1170      1.00000
     26     -15.8817      1.00000
     27     -15.8707      1.00000
     28     -15.8420      1.00000
     29     -15.2326      1.00000
     30     -14.5523      1.00000
     31     -14.5341      1.00000
     32     -14.2775      1.00000
     33     -13.9759      1.00000
     34     -13.9525      1.00000
     35     -13.8261      1.00000
     36     -13.8041      1.00000
     37     -13.6056      1.00000
     38     -13.5804      1.00000
     39     -13.3709      1.00000
     40     -12.6395      1.00000
     41     -12.1706      1.00000
     42     -12.1443      1.00000
     43     -12.0693      1.00000
     44     -12.0228      1.00000
     45     -11.6661      1.00000
     46     -11.6615      1.00000
     47     -11.1385      1.00000
     48     -11.1277      1.00000
     49     -10.7920      1.00000
     50     -10.7364      1.00000
     51     -10.5330      1.00000
     52     -10.2096      1.00000
     53     -10.2035      1.00000
     54     -10.1708      1.00000
     55     -10.0236      1.00000
     56      -9.9946      1.00000
     57      -9.9916      1.00000
     58      -9.8066      1.00000
     59      -9.7974      1.00000
     60      -9.7668      1.00000
     61      -9.7588      1.00000
     62      -9.4566      1.00000
     63      -9.4169      1.00000
     64      -9.0854      1.00000
     65      -9.0474      1.00000
     66      -9.0262      1.00000
     67      -8.9723      1.00000
     68      -8.8976      1.00000
     69      -8.7097      1.00000
     70      -8.7006      1.00000
     71      -8.5625      1.00000
     72      -8.5516      1.00000
     73      -8.4785      1.00000
     74      -8.4617      1.00000
     75      -8.4581      1.00000
     76      -8.3075      1.00000
     77      -8.0951      1.00000
     78      -8.0900      1.00000
     79      -7.9282      1.00000
     80      -7.8322      1.00000
     81      -7.6015      1.00000
     82      -7.5399      1.00000
     83      -7.4457      1.00000
     84      -7.3134      1.00000
     85      -6.9952      1.00000
     86      -6.9213      1.00000
     87      -6.8835      1.00000
     88      -6.5309      1.00000
     89      -6.5165      1.00000
     90      -6.4827      1.00000
     91      -6.4215      1.00000
     92      -5.9274      1.00000
     93      -5.9064      1.00000
     94      -5.7899      1.00000
     95      -5.7756      1.00000
     96      -5.3701      1.00000
     97      -5.3634      1.00000
     98      -5.2218      1.00000
     99      -5.2166      1.00000
    100      -5.1997      1.00000
    101      -4.7202      1.00000
    102      -4.4409      1.00000
    103      -4.1893      1.00000
    104      -3.8189      1.00000
    105      -3.5624      1.00000
    106      -3.2233      1.00000
    107      -2.5647      0.00000
    108      -1.4646      0.00000
    109      -1.2694      0.00000
    110      -1.1878      0.00000
    111      -1.1861      0.00000
    112      -0.6475      0.00000
    113      -0.5542      0.00000
    114      -0.4173      0.00000
    115      -0.3502      0.00000
    116      -0.0807      0.00000
    117      -0.0659      0.00000
    118       0.1231      0.00000
    119       0.5900      0.00000
    120       0.6230      0.00000
    121       0.8533      0.00000
    122       0.9752      0.00000
    123       0.9994      0.00000
    124       1.4914      0.00000
    125       1.6789      0.00000
    126       1.7407      0.00000
    127       1.8500      0.00000
    128       2.0896      0.00000
    129       2.1066      0.00000
    130       2.1676      0.00000
    131       2.2064      0.00000
    132       2.2416      0.00000
    133       2.3259      0.00000
    134       2.4895      0.00000
    135       2.4916      0.00000
    136       2.6553      0.00000
    137       2.8495      0.00000
    138       2.8565      0.00000
    139       2.9464      0.00000
    140       2.9782      0.00000
    141       3.0243      0.00000
    142       3.1305      0.00000
    143       3.1655      0.00000
    144       3.2319      0.00000
    145       3.2365      0.00000
    146       3.2730      0.00000
    147       3.2945      0.00000
    148       3.3468      0.00000
    149       3.3722      0.00000
    150       3.5361      0.00000
    151       3.5492      0.00000
    152       3.6340      0.00000
    153       3.6363      0.00000
    154       3.6687      0.00000
    155       3.6884      0.00000
    156       3.8882      0.00000
    157       3.9302      0.00000
    158       4.0315      0.00000
    159       4.0578      0.00000
    160       4.1609      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2836      1.00000
      2     -22.0793      1.00000
      3     -21.7208      1.00000
      4     -21.6820      1.00000
      5     -20.9833      1.00000
      6     -20.9361      1.00000
      7     -20.6119      1.00000
      8     -20.5800      1.00000
      9     -20.5667      1.00000
     10     -20.0331      1.00000
     11     -19.5142      1.00000
     12     -19.4843      1.00000
     13     -19.3126      1.00000
     14     -19.2994      1.00000
     15     -18.4504      1.00000
     16     -18.4078      1.00000
     17     -17.9288      1.00000
     18     -17.9084      1.00000
     19     -17.7668      1.00000
     20     -17.7223      1.00000
     21     -17.4429      1.00000
     22     -17.4245      1.00000
     23     -17.3395      1.00000
     24     -16.4722      1.00000
     25     -16.4624      1.00000
     26     -15.9711      1.00000
     27     -15.4124      1.00000
     28     -15.4113      1.00000
     29     -15.0972      1.00000
     30     -15.0944      1.00000
     31     -14.8549      1.00000
     32     -14.8424      1.00000
     33     -14.2988      1.00000
     34     -14.2554      1.00000
     35     -13.4454      1.00000
     36     -13.4019      1.00000
     37     -13.1768      1.00000
     38     -13.1753      1.00000
     39     -12.9863      1.00000
     40     -12.9774      1.00000
     41     -12.6126      1.00000
     42     -12.6103      1.00000
     43     -12.1980      1.00000
     44     -11.5810      1.00000
     45     -11.5402      1.00000
     46     -11.3151      1.00000
     47     -11.2850      1.00000
     48     -11.1432      1.00000
     49     -10.6931      1.00000
     50     -10.6651      1.00000
     51     -10.5459      1.00000
     52     -10.3235      1.00000
     53     -10.3158      1.00000
     54     -10.1762      1.00000
     55     -10.1235      1.00000
     56     -10.1098      1.00000
     57      -9.8113      1.00000
     58      -9.7533      1.00000
     59      -9.7533      1.00000
     60      -9.7037      1.00000
     61      -9.6999      1.00000
     62      -9.6470      1.00000
     63      -9.3540      1.00000
     64      -9.3526      1.00000
     65      -9.3203      1.00000
     66      -9.0275      1.00000
     67      -8.9631      1.00000
     68      -8.9590      1.00000
     69      -8.7759      1.00000
     70      -8.5942      1.00000
     71      -8.5873      1.00000
     72      -8.4237      1.00000
     73      -8.3503      1.00000
     74      -8.3243      1.00000
     75      -8.3040      1.00000
     76      -8.2682      1.00000
     77      -8.2567      1.00000
     78      -8.2420      1.00000
     79      -7.9221      1.00000
     80      -7.7345      1.00000
     81      -7.3809      1.00000
     82      -7.3515      1.00000
     83      -7.3224      1.00000
     84      -7.2189      1.00000
     85      -7.1605      1.00000
     86      -7.0668      1.00000
     87      -6.9614      1.00000
     88      -6.9065      1.00000
     89      -6.6166      1.00000
     90      -6.5581      1.00000
     91      -6.2744      1.00000
     92      -5.9974      1.00000
     93      -5.9602      1.00000
     94      -5.6759      1.00000
     95      -5.6491      1.00000
     96      -5.3883      1.00000
     97      -5.3162      1.00000
     98      -5.2947      1.00000
     99      -5.2132      1.00000
    100      -5.2014      1.00000
    101      -4.5101      1.00000
    102      -4.3354      1.00000
    103      -3.9968      1.00000
    104      -3.8867      1.00000
    105      -3.7925      1.00000
    106      -3.4414      1.00000
    107      -2.0362      0.00000
    108      -1.8661      0.00000
    109      -1.2196      0.00000
    110      -1.1863      0.00000
    111      -1.0382      0.00000
    112      -0.7748      0.00000
    113      -0.6801      0.00000
    114      -0.6623      0.00000
    115      -0.6119      0.00000
    116      -0.1056      0.00000
    117       0.2201      0.00000
    118       0.2366      0.00000
    119       0.7655      0.00000
    120       0.9783      0.00000
    121       1.0716      0.00000
    122       1.2362      0.00000
    123       1.2478      0.00000
    124       1.3328      0.00000
    125       1.5701      0.00000
    126       1.5817      0.00000
    127       1.6863      0.00000
    128       1.7955      0.00000
    129       1.9382      0.00000
    130       1.9404      0.00000
    131       2.0403      0.00000
    132       2.2567      0.00000
    133       2.3357      0.00000
    134       2.4143      0.00000
    135       2.5242      0.00000
    136       2.6281      0.00000
    137       2.7328      0.00000
    138       2.7840      0.00000
    139       2.8356      0.00000
    140       2.8565      0.00000
    141       3.0289      0.00000
    142       3.0945      0.00000
    143       3.1408      0.00000
    144       3.2052      0.00000
    145       3.3422      0.00000
    146       3.3980      0.00000
    147       3.4949      0.00000
    148       3.5205      0.00000
    149       3.5822      0.00000
    150       3.6054      0.00000
    151       3.6169      0.00000
    152       3.7267      0.00000
    153       3.7294      0.00000
    154       3.7497      0.00000
    155       3.7840      0.00000
    156       3.8487      0.00000
    157       3.9930      0.00000
    158       4.0807      0.00000
    159       4.1629      0.00000
    160       4.1858      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0427   -7.3915    4.1991   -1.2756   -0.2386   17.5960    0.1457   -0.5319    0.6338   -0.4650
x    -3.0920   -0.0374   -0.0631    0.0618   -0.0095   -2.9777   -0.0107   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0427    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0378
y    -0.0458   -3.2471   -0.5378   -0.1638   -1.1818   -0.6055
z   204.0427    1.1128   -0.2988    0.0466    0.0114    0.0799   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1106    0.0006    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7491
z    -0.2337    0.2171   -0.0490    0.0508   -0.0945    0.0011
 total charge-density along one line
x   212.0000  -10.2210    6.1473   -2.0859   -0.4745   19.5132   -0.9979    0.4749   -0.0454   -0.1257
x    -2.6450   -0.0276   -0.0610    0.0846   -0.0533   -2.2249   -0.0247   -0.0026    0.0052    0.0021
x    -0.0896    0.0060   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2210    6.1473   -2.0859   -0.4745   19.5132   -0.9979    0.4749   -0.0454   -0.1257
y    -2.6450   -0.0276   -0.0610    0.0846   -0.0533   -2.2249   -0.0247   -0.0026    0.0052    0.0021
y    -0.0896    0.0060   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3947  189.0746 -170.2986  154.0276 -140.2912  126.5390 -111.2301   94.9788  -79.2536
z    64.9374  -52.1857   41.0803  -31.9354   24.9533  -19.8216   15.8163  -12.3017    9.0958   -6.3840
z     4.3571   -2.9674    1.9851   -1.2096    0.5872   -0.1505   -0.1029    0.2490   -0.3718    0.4912
z    -0.5660    0.5591   -0.4863    0.4018   -0.3477    0.3234   -0.3013    0.2626   -0.2125    0.1686
z    -0.1398    0.1212   -0.1035    0.0836   -0.0655    0.0533   -0.0467    0.0416   -0.0355    0.0289
z    -0.0236    0.0202   -0.0179    0.0154   -0.0127    0.0101   -0.0080    0.0062   -0.0047    0.0034
z    -0.0024    0.0016   -0.0008    0.0000    0.0006   -0.0007    0.0007   -0.0006    0.0007   -0.0008
z     0.0007   -0.0004    0.0001    0.0000   -0.0001    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0003   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.101   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.101   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.057   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.301   0.000   0.029  -0.191  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.057   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.301   0.000   0.037  -0.131   0.000   0.412   0.000   0.077   0.584  -0.237   0.000   0.059   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.070   0.007
 -0.025   0.000   0.029   0.000   0.027  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.584   0.000   0.164   1.369  -0.419   0.000   0.284   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.237   0.000  -0.047  -0.419   0.175   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.094   0.000   0.059   0.000   0.053   0.284  -0.035   0.000   0.262   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.070   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.260   8.030   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.645
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.419   8.030 142.316
 


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


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


    CHARGE:  VPU time  116.90: CPU time   59.12
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  462.38: CPU time  231.65
    STRESS:  VPU time 1346.60: CPU time  677.22
    FORCOR:  VPU time    8.58: CPU time    8.58
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.16: CPU time    0.15
 d Force = 0.7978301E-04[ 0.157E-04, 0.144E-03]  d Energy = 0.1017511E-03-0.220E-04
 d Force =-0.3877496E+00[-0.388E+00,-0.387E+00]  d Ewald  =-0.5265946E+01 0.488E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.727065 eV

  energy  without entropy=     -471.727065  energy(sigma->0) =     -471.727065
 

  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    40821.70  40778.21 -47520.60    -37.66      0.00      0.00
  Hartree  40246.88  40229.27 -39506.13    -15.25      0.00      0.00
  E(xc)     -779.40   -779.69   -807.33     -0.25      0.00      0.00
  Local   -83352.70 -83300.57  84341.65     45.15      0.00      0.00
  n-local   -216.81   -215.67   -203.46      0.72      0.00      0.00
  augment     20.05     22.05     17.82      1.73      0.00      0.00
  Kinetic   3162.25   3175.85   3583.99      3.43      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.37     -0.35     -0.13      0.02      0.00      0.00
  in kB       -0.23     -0.21     -0.08      0.01      0.00      0.00
  external pressure =       -0.17 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346374192  0.000927109  0.000000000     0.080991928  0.046752672  0.000000000
    -6.172390838 10.692733032  0.000000000    -0.000007022  0.093517406  0.000000000
     0.000000000  0.000000000 19.981955313     0.000000000  0.000000000  0.050045152

  length of vectors
    12.346374227 12.346373895 19.981955313     0.093517404  0.093517406  0.050045152


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.461E-05 -.493E-04 -.951E+03   0.435E-05 -.277E-04 0.959E+03   -.424E-21 -.290E-24 -.868E+01   -.229E-07 0.113E-07 0.195E-04
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.407E-03 -.235E-03 0.298E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.407E-03 0.235E-03 0.298E-03
   -.205E+01 0.118E+01 0.146E+02   0.205E+01 -.118E+01 -.146E+02   -.246E-02 0.142E-02 -.300E-01   0.673E-02 -.389E-02 -.113E-02
   0.616E+01 0.686E+01 0.178E+02   -.616E+01 -.689E+01 -.178E+02   0.299E-02 0.171E-01 -.320E-01   -.560E-02 0.115E-01 -.654E-03
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.509E+01 -.161E+02   0.225E-01 0.865E-02 -.510E-01   -.370E-02 -.555E-02 -.227E-03
   0.470E+01 -.886E+00 0.135E+02   -.472E+01 0.894E+00 -.135E+02   0.153E-01 -.769E-02 -.174E-01   0.179E-02 0.593E-03 -.252E-03
   -.308E+01 -.252E+01 0.125E+02   0.308E+01 0.252E+01 -.125E+02   0.647E-03 0.225E-02 -.157E-01   -.234E-02 -.110E-02 -.764E-03
   0.644E+00 0.393E+01 0.125E+02   -.643E+00 -.393E+01 -.125E+02   -.162E-02 -.168E-02 -.157E-01   -.224E-03 0.257E-02 -.766E-03
   0.243E+01 0.188E+02 0.234E+02   -.242E+01 -.189E+02 -.234E+02   0.135E-02 0.104E+00 -.462E-01   -.744E-02 -.961E-02 -.193E-03
   0.226E+02 0.213E+02 0.419E+02   -.227E+02 -.216E+02 -.418E+02   0.760E-01 0.261E+00 -.621E-01   0.109E-01 -.391E-02 -.495E-04
   0.267E+02 -.343E+01 0.264E+02   -.269E+02 0.353E+01 -.264E+02   0.270E+00 -.108E+00 -.318E-01   -.587E-02 0.122E-02 0.663E-03
   0.911E+01 -.526E+01 0.145E+02   -.915E+01 0.528E+01 -.145E+02   0.426E-01 -.246E-01 -.126E-01   -.131E-02 0.754E-03 0.765E-03
   0.312E+01 -.363E+01 0.135E+02   -.313E+01 0.364E+01 -.135E+02   0.143E-01 -.942E-02 -.174E-01   0.381E-03 -.185E-02 -.258E-03
   -.591E+01 0.136E+02 0.169E+02   0.591E+01 -.137E+02 -.169E+02   -.102E-02 0.695E-01 -.469E-01   0.329E-02 0.295E-02 0.145E-03
   -.118E+02 0.361E+02 0.478E+02   0.119E+02 -.367E+02 -.481E+02   -.284E-01 0.606E+00 0.296E+00   -.224E-02 0.428E-02 0.209E-03
   0.235E+02 -.136E+02 0.930E+02   -.242E+02 0.140E+02 -.950E+02   0.634E+00 -.366E+00 0.203E+01   0.638E-03 -.371E-03 0.135E-02
   0.163E+02 -.214E+02 0.264E+02   -.165E+02 0.216E+02 -.264E+02   0.228E+00 -.179E+00 -.318E-01   -.399E-02 0.447E-02 0.659E-03
   0.118E+01 -.122E+02 0.161E+02   -.118E+01 0.122E+02 -.161E+02   0.374E-02 -.238E-01 -.510E-01   0.296E-02 0.598E-02 -.231E-03
   -.413E+01 0.192E+01 0.123E+02   0.413E+01 -.193E+01 -.123E+02   0.583E-03 0.872E-02 -.420E-01   0.159E-02 0.363E-03 -.167E-03
   -.192E+02 0.111E+02 0.228E+02   0.192E+02 -.111E+02 -.227E+02   -.496E-01 0.286E-01 -.363E-01   0.112E-02 -.645E-03 0.136E-02
   -.371E+02 -.779E+01 0.478E+02   0.377E+02 0.807E+01 -.481E+02   -.539E+00 -.279E+00 0.296E+00   -.482E-02 -.202E-03 0.211E-03
   -.719E+01 -.302E+02 0.419E+02   0.736E+01 0.305E+02 -.418E+02   -.188E+00 -.196E+00 -.621E-01   0.884E-02 -.749E-02 -.509E-04
   -.286E+01 -.877E+01 0.178E+02   0.289E+01 0.878E+01 -.178E+02   -.133E-01 -.112E-01 -.320E-01   -.128E-01 -.916E-03 -.655E-03
   0.138E+01 -.799E+00 0.127E+02   -.139E+01 0.802E+00 -.127E+02   0.751E-03 -.433E-03 -.226E-01   0.437E-02 -.252E-02 -.125E-02
   -.373E+01 0.262E+01 0.123E+02   0.373E+01 -.261E+01 -.123E+02   -.726E-02 -.486E-02 -.420E-01   0.482E-03 -.156E-02 -.164E-03
   -.147E+02 -.167E+01 0.169E+02   0.148E+02 0.171E+01 -.169E+02   -.607E-01 -.339E-01 -.469E-01   -.909E-03 -.432E-02 0.150E-03
   -.151E+02 -.115E+02 0.234E+02   0.152E+02 0.116E+02 -.234E+02   -.897E-01 -.534E-01 -.462E-01   0.460E-02 0.112E-01 -.191E-03
   0.286E+01 0.877E+01 0.178E+02   -.289E+01 -.878E+01 -.178E+02   0.133E-01 0.112E-01 -.320E-01   0.128E-01 0.916E-03 -.655E-03
   0.151E+02 0.115E+02 0.234E+02   -.152E+02 -.116E+02 -.234E+02   0.897E-01 0.534E-01 -.462E-01   -.460E-02 -.112E-01 -.191E-03
   0.147E+02 0.167E+01 0.169E+02   -.148E+02 -.171E+01 -.169E+02   0.607E-01 0.339E-01 -.469E-01   0.909E-03 0.432E-02 0.150E-03
   0.373E+01 -.262E+01 0.123E+02   -.373E+01 0.261E+01 -.123E+02   0.726E-02 0.486E-02 -.420E-01   -.482E-03 0.156E-02 -.164E-03
   -.138E+01 0.799E+00 0.127E+02   0.139E+01 -.802E+00 -.127E+02   -.751E-03 0.433E-03 -.226E-01   -.437E-02 0.252E-02 -.125E-02
   -.118E+01 0.122E+02 0.161E+02   0.118E+01 -.122E+02 -.161E+02   -.374E-02 0.238E-01 -.510E-01   -.296E-02 -.598E-02 -.231E-03
   0.719E+01 0.302E+02 0.419E+02   -.736E+01 -.305E+02 -.418E+02   0.188E+00 0.196E+00 -.621E-01   -.884E-02 0.749E-02 -.509E-04
   0.371E+02 0.779E+01 0.478E+02   -.377E+02 -.807E+01 -.481E+02   0.539E+00 0.279E+00 0.296E+00   0.482E-02 0.202E-03 0.211E-03
   0.192E+02 -.111E+02 0.228E+02   -.192E+02 0.111E+02 -.227E+02   0.496E-01 -.286E-01 -.363E-01   -.112E-02 0.645E-03 0.136E-02
   0.413E+01 -.192E+01 0.123E+02   -.413E+01 0.193E+01 -.123E+02   -.583E-03 -.872E-02 -.420E-01   -.159E-02 -.363E-03 -.167E-03
   -.312E+01 0.363E+01 0.135E+02   0.313E+01 -.364E+01 -.135E+02   -.143E-01 0.942E-02 -.174E-01   -.381E-03 0.185E-02 -.258E-03
   -.163E+02 0.214E+02 0.264E+02   0.165E+02 -.216E+02 -.264E+02   -.228E+00 0.179E+00 -.318E-01   0.399E-02 -.447E-02 0.659E-03
   -.235E+02 0.136E+02 0.930E+02   0.242E+02 -.140E+02 -.950E+02   -.634E+00 0.366E+00 0.203E+01   -.638E-03 0.371E-03 0.135E-02
   0.118E+02 -.361E+02 0.478E+02   -.119E+02 0.367E+02 -.481E+02   0.284E-01 -.606E+00 0.296E+00   0.224E-02 -.428E-02 0.209E-03
   0.591E+01 -.136E+02 0.169E+02   -.591E+01 0.137E+02 -.169E+02   0.102E-02 -.695E-01 -.469E-01   -.329E-02 -.295E-02 0.145E-03
   -.644E+00 -.393E+01 0.125E+02   0.643E+00 0.393E+01 -.125E+02   0.162E-02 0.168E-02 -.157E-01   0.224E-03 -.257E-02 -.766E-03
   -.911E+01 0.526E+01 0.145E+02   0.915E+01 -.528E+01 -.145E+02   -.426E-01 0.246E-01 -.126E-01   0.131E-02 -.754E-03 0.765E-03
   -.267E+02 0.343E+01 0.264E+02   0.269E+02 -.353E+01 -.264E+02   -.270E+00 0.108E+00 -.318E-01   0.587E-02 -.122E-02 0.663E-03
   -.226E+02 -.213E+02 0.419E+02   0.227E+02 0.216E+02 -.418E+02   -.760E-01 -.261E+00 -.621E-01   -.109E-01 0.391E-02 -.495E-04
   -.243E+01 -.188E+02 0.234E+02   0.242E+01 0.189E+02 -.234E+02   -.135E-02 -.104E+00 -.462E-01   0.744E-02 0.961E-02 -.193E-03
   0.205E+01 -.118E+01 0.146E+02   -.205E+01 0.118E+01 -.146E+02   0.246E-02 -.142E-02 -.300E-01   -.673E-02 0.389E-02 -.113E-02
   0.308E+01 0.252E+01 0.125E+02   -.308E+01 -.252E+01 -.125E+02   -.647E-03 -.225E-02 -.157E-01   0.234E-02 0.110E-02 -.764E-03
   -.470E+01 0.885E+00 0.135E+02   0.472E+01 -.894E+00 -.135E+02   -.153E-01 0.769E-02 -.174E-01   -.179E-02 -.593E-03 -.252E-03
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.509E+01 -.161E+02   -.225E-01 -.865E-02 -.510E-01   0.370E-02 0.555E-02 -.227E-03
   -.616E+01 -.686E+01 0.178E+02   0.616E+01 0.689E+01 -.178E+02   -.299E-02 -.171E-01 -.320E-01   0.560E-02 -.115E-01 -.654E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.299E-03 0.101E+02   0.128E-12 0.959E-13 0.178E-13   0.465E-15 -.163E-15 -.101E+02   0.248E-07 -.223E-07 -.237E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85241      6.05962     12.30989         0.000000      0.000000      0.016084
      1.07536      6.50825     13.56929         0.001931     -0.001115      0.006674
      2.62946      5.61099     13.56929        -0.001931      0.001115      0.006674
     -6.17230     10.69268      9.95758        -0.000048      0.000028     -0.004074
     11.11152      2.13806      9.95616         0.005072     -0.006069     -0.002748
      9.87623      4.27777      9.96935         0.003472      0.001902     -0.000797
      8.64247      6.41666      9.97282        -0.000184      0.001050     -0.000447
     -4.93774      8.55418      9.96758         0.001068      0.001252     -0.002297
     -3.70303     10.69278      9.96758        -0.000550     -0.001551     -0.002297
      1.23403      2.13696      9.96196         0.004062      0.003427     -0.000329
     -0.00252      4.27134      9.97328        -0.004755      0.001507     -0.000409
     -1.23834      6.41639      9.99022         0.004143      0.000203      0.002100
     -2.46900      8.55458      9.97462         0.000424     -0.000245      0.002035
      4.93824      0.00073      9.97282        -0.001001     -0.000366     -0.000447
      3.70450      2.13704      9.97709        -0.000682     -0.003210      0.000296
      2.47018      4.26904     10.00771         0.001490     -0.002166     -0.000698
      1.22930      6.41937     10.01594         0.000175     -0.000101     -0.001558
     -0.00194      8.55790      9.99022         0.001895     -0.003690      0.002100
      7.40745      0.00171      9.96935         0.000089     -0.003958     -0.000797
      6.17307      2.13918      9.97226        -0.000189     -0.001288     -0.000514
      4.93946      4.27731      9.98387         0.002013     -0.001162      0.004032
      3.71198      6.41990     10.00771         0.002621     -0.000207     -0.000698
      2.47364      8.56018      9.97328        -0.003683      0.003365     -0.000409
      9.87814      0.00178      9.95616         0.007792     -0.001358     -0.002748
      8.64250      2.13936      9.96346        -0.000771      0.000445     -0.003469
      7.40794      4.27804      9.97226         0.001021      0.000807     -0.000514
      6.17551      6.41695      9.97709         0.002438      0.002195      0.000296
      4.94034      8.55648      9.96196        -0.000937     -0.005231     -0.000329
     -0.00093      1.42473      9.95616        -0.007792      0.001358     -0.002748
     -1.23553      3.56275      9.96196         0.000937      0.005231     -0.000329
     -2.47069      5.70228      9.97709        -0.002438     -0.002195      0.000296
     -3.70312      7.84120      9.97226        -0.001021     -0.000807     -0.000514
     -4.93769      9.97988      9.96346         0.000771     -0.000445     -0.003469
      2.46975      1.42479      9.96935        -0.000089      0.003958     -0.000797
      1.23118      3.55906      9.97328         0.003683     -0.003365     -0.000409
     -0.00717      5.69934     10.00771        -0.002621      0.000207     -0.000698
     -1.23465      7.84193      9.98387        -0.002013      0.001162      0.004032
     -2.46825      9.98006      9.97226         0.000189      0.001288     -0.000514
      4.93897      1.42577      9.97282         0.001001      0.000366     -0.000447
      3.70675      3.56134      9.99022        -0.001895      0.003690      0.002100
      2.47551      5.69987     10.01594        -0.000175      0.000101     -0.001558
      1.23463      7.85020     10.00771        -0.001490      0.002166     -0.000698
      0.00032      9.98220      9.97709         0.000682      0.003210      0.000296
      7.40784      1.42646      9.96758         0.000550      0.001551     -0.002297
      6.17381      3.56465      9.97462        -0.000424      0.000245      0.002035
      4.94315      5.70285      9.99022        -0.004143     -0.000203      0.002100
      3.70734      7.84790      9.97328         0.004755     -0.001507     -0.000409
      2.47078      9.98228      9.96196        -0.004062     -0.003427     -0.000329
      9.87712      1.42655      9.95758         0.000048     -0.000028     -0.004074
      8.64256      3.56506      9.96758        -0.001068     -0.001252     -0.002297
      7.40872      5.70350      9.97282         0.000184     -0.001050     -0.000447
      6.17495      7.84239      9.96935        -0.003472     -0.001902     -0.000797
      4.93967      9.98211      9.95616        -0.005072      0.006069     -0.002748
 -----------------------------------------------------------------------------------
    total drift:                               -0.001815      0.000299      0.011315


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




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


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  185.01: CPU time   92.69
     LOOP+:  VPU time 5663.34: CPU time 2909.59


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


    POTLOK:  VPU time    9.18: CPU time    9.01
    SETDIJ:  VPU time    0.34: CPU time    0.33
    EDDAV :  VPU time 1449.95: CPU time  750.06
 BZINTS: Fermi energy: -3.160686;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.87: CPU time   58.06
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1574.52: CPU time  817.64

 eigenvalue-minimisations  :  4336
 total energy-change (2. order) :-0.4717271E+03  (-0.1244769E-04)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9573894 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.59613E-03    rms(broyden)= 0.59591E-03
  rms(prec ) = 0.66410E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34080.13015662
  -1/2 Hartree   DENC   =    -40970.49018781
  -V(xc)+E(xc)   XCENC  =       726.54537832
  PAW double counting   =      4093.20800084    -4131.54460183
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.01566897
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72706922 eV

  energy without entropy =     -471.72706922  energy(sigma->0) =     -471.72706922


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




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


    POTLOK:  VPU time    8.99: CPU time    8.99
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1443.72: CPU time  746.41
 BZINTS: Fermi energy: -3.208693;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1453.13: CPU time  755.78

 eigenvalue-minimisations  :  4224
 total energy-change (2. order) :-0.5146558E-05  (-0.1457537E-05)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9573894 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34080.13015662
  -1/2 Hartree   DENC   =    -40970.54238200
  -V(xc)+E(xc)   XCENC  =       726.54697248
  PAW double counting   =      4093.24494505    -4131.58159313
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.96502699
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72707437 eV

  energy without entropy =     -471.72707437  energy(sigma->0) =     -471.72707437


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




 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 -58.2141       2 -39.5376       3 -39.5377       4 -58.3162       5 -58.3200
       6 -58.3225       7 -58.3173       8 -58.3176       9 -58.3176      10 -58.3238
      11 -58.3898      12 -58.3539      13 -58.3255      14 -58.3173      15 -58.3269
      16 -58.5438      17 -58.7307      18 -58.3539      19 -58.3225      20 -58.3224
      21 -58.3602      22 -58.5438      23 -58.3899      24 -58.3200      25 -58.3254
      26 -58.3225      27 -58.3269      28 -58.3239      29 -58.3199      30 -58.3237
      31 -58.3268      32 -58.3224      33 -58.3253      34 -58.3224      35 -58.3898
      36 -58.5437      37 -58.3601      38 -58.3224      39 -58.3171      40 -58.3538
      41 -58.7306      42 -58.5437      43 -58.3268      44 -58.3175      45 -58.3254
      46 -58.3538      47 -58.3898      48 -58.3237      49 -58.3161      50 -58.3175
      51 -58.3171      52 -58.3224      53 -58.3199
 
 
 
 E-fermi :  -3.2087     XC(G=0):  -2.3626     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     -22.4264      1.00000
      2     -21.6025      1.00000
      3     -21.4818      1.00000
      4     -21.4727      1.00000
      5     -21.4412      1.00000
      6     -21.4407      1.00000
      7     -21.4304      1.00000
      8     -19.7073      1.00000
      9     -19.6528      1.00000
     10     -19.6300      1.00000
     11     -19.6189      1.00000
     12     -19.6138      1.00000
     13     -19.6125      1.00000
     14     -18.7901      1.00000
     15     -18.7549      1.00000
     16     -18.7354      1.00000
     17     -18.7260      1.00000
     18     -18.7187      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6097      1.00000
     22     -16.5859      1.00000
     23     -16.5823      1.00000
     24     -16.5553      1.00000
     25     -16.5537      1.00000
     26     -15.6145      1.00000
     27     -15.6029      1.00000
     28     -15.5993      1.00000
     29     -15.5655      1.00000
     30     -15.5638      1.00000
     31     -15.5620      1.00000
     32     -14.2601      1.00000
     33     -14.2511      1.00000
     34     -14.2417      1.00000
     35     -14.2367      1.00000
     36     -14.2231      1.00000
     37     -14.2203      1.00000
     38     -11.9063      1.00000
     39     -11.8800      1.00000
     40     -11.8693      1.00000
     41     -11.8663      1.00000
     42     -11.8460      1.00000
     43     -11.8459      1.00000
     44     -11.7716      1.00000
     45     -11.7696      1.00000
     46     -11.7360      1.00000
     47     -11.7297      1.00000
     48     -11.7263      1.00000
     49     -11.7229      1.00000
     50     -10.6742      1.00000
     51     -10.3890      1.00000
     52     -10.3847      1.00000
     53     -10.3776      1.00000
     54     -10.3691      1.00000
     55     -10.3568      1.00000
     56     -10.3541      1.00000
     57      -9.9021      1.00000
     58      -9.4498      1.00000
     59      -9.4056      1.00000
     60      -9.3628      1.00000
     61      -9.3620      1.00000
     62      -9.3543      1.00000
     63      -9.1428      1.00000
     64      -9.1237      1.00000
     65      -9.1219      1.00000
     66      -9.0864      1.00000
     67      -9.0725      1.00000
     68      -9.0718      1.00000
     69      -9.0716      1.00000
     70      -9.0662      1.00000
     71      -9.0652      1.00000
     72      -9.0400      1.00000
     73      -9.0299      1.00000
     74      -9.0271      1.00000
     75      -8.1303      1.00000
     76      -7.7415      1.00000
     77      -7.4707      1.00000
     78      -7.4673      1.00000
     79      -7.4553      1.00000
     80      -7.4360      1.00000
     81      -7.4256      1.00000
     82      -7.4082      1.00000
     83      -7.3123      1.00000
     84      -7.2712      1.00000
     85      -7.2578      1.00000
     86      -7.2493      1.00000
     87      -7.1523      1.00000
     88      -7.0501      1.00000
     89      -6.4469      1.00000
     90      -6.4160      1.00000
     91      -6.4006      1.00000
     92      -6.3643      1.00000
     93      -6.3537      1.00000
     94      -6.3419      1.00000
     95      -5.9612      1.00000
     96      -5.9587      1.00000
     97      -4.8036      1.00000
     98      -4.5433      1.00000
     99      -4.4826      1.00000
    100      -4.4733      1.00000
    101      -4.3835      1.00000
    102      -4.3829      1.00000
    103      -4.2679      1.00000
    104      -4.1864      1.00000
    105      -3.7390      1.00000
    106      -3.4748      1.00000
    107      -1.8631      0.00000
    108      -1.6730      0.00000
    109      -1.6255      0.00000
    110      -1.5934      0.00000
    111      -1.5776      0.00000
    112      -1.5770      0.00000
    113      -0.4315      0.00000
    114       0.1429      0.00000
    115       0.1899      0.00000
    116       0.2531      0.00000
    117       0.2657      0.00000
    118       0.2689      0.00000
    119       0.4735      0.00000
    120       0.5420      0.00000
    121       1.2428      0.00000
    122       1.2876      0.00000
    123       1.5130      0.00000
    124       1.7637      0.00000
    125       1.7642      0.00000
    126       1.7670      0.00000
    127       1.7807      0.00000
    128       1.8264      0.00000
    129       1.9555      0.00000
    130       1.9659      0.00000
    131       1.9719      0.00000
    132       1.9863      0.00000
    133       1.9936      0.00000
    134       2.0705      0.00000
    135       2.2495      0.00000
    136       2.3335      0.00000
    137       2.5903      0.00000
    138       2.5934      0.00000
    139       2.6055      0.00000
    140       2.6999      0.00000
    141       2.9421      0.00000
    142       3.0291      0.00000
    143       3.0347      0.00000
    144       3.0510      0.00000
    145       3.0548      0.00000
    146       3.0613      0.00000
    147       3.0954      0.00000
    148       3.2657      0.00000
    149       3.4148      0.00000
    150       3.4998      0.00000
    151       3.8224      0.00000
    152       3.9062      0.00000
    153       3.9271      0.00000
    154       3.9356      0.00000
    155       3.9617      0.00000
    156       4.0014      0.00000
    157       4.1775      0.00000
    158       4.2562      0.00000
    159       4.2720      0.00000
    160       4.2778      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3897      1.00000
      2     -21.8306      1.00000
      3     -21.6385      1.00000
      4     -21.6108      1.00000
      5     -21.2748      1.00000
      6     -21.2357      1.00000
      7     -21.0574      1.00000
      8     -20.1679      1.00000
      9     -20.1301      1.00000
     10     -19.6090      1.00000
     11     -19.5979      1.00000
     12     -19.4178      1.00000
     13     -19.0899      1.00000
     14     -19.0605      1.00000
     15     -19.0497      1.00000
     16     -19.0420      1.00000
     17     -18.3613      1.00000
     18     -18.3528      1.00000
     19     -18.0198      1.00000
     20     -17.0697      1.00000
     21     -17.0313      1.00000
     22     -16.9450      1.00000
     23     -16.9408      1.00000
     24     -16.4687      1.00000
     25     -16.4641      1.00000
     26     -15.6141      1.00000
     27     -15.6081      1.00000
     28     -15.2532      1.00000
     29     -15.2444      1.00000
     30     -15.1856      1.00000
     31     -15.0989      1.00000
     32     -15.0721      1.00000
     33     -14.6992      1.00000
     34     -14.6971      1.00000
     35     -13.7274      1.00000
     36     -13.7246      1.00000
     37     -13.2370      1.00000
     38     -12.6154      1.00000
     39     -12.5854      1.00000
     40     -12.4551      1.00000
     41     -12.4513      1.00000
     42     -12.1104      1.00000
     43     -12.1055      1.00000
     44     -11.7176      1.00000
     45     -11.6869      1.00000
     46     -11.2361      1.00000
     47     -11.2275      1.00000
     48     -11.0188      1.00000
     49     -11.0108      1.00000
     50     -10.9270      1.00000
     51     -10.9059      1.00000
     52     -10.6289      1.00000
     53     -10.1564      1.00000
     54     -10.1518      1.00000
     55     -10.0936      1.00000
     56      -9.9972      1.00000
     57      -9.7032      1.00000
     58      -9.6964      1.00000
     59      -9.6562      1.00000
     60      -9.5925      1.00000
     61      -9.5774      1.00000
     62      -9.5596      1.00000
     63      -9.3085      1.00000
     64      -9.3044      1.00000
     65      -9.2740      1.00000
     66      -9.2371      1.00000
     67      -9.1367      1.00000
     68      -9.1172      1.00000
     69      -9.1119      1.00000
     70      -8.9400      1.00000
     71      -8.8728      1.00000
     72      -8.6055      1.00000
     73      -8.5922      1.00000
     74      -8.2362      1.00000
     75      -8.1025      1.00000
     76      -7.9119      1.00000
     77      -7.8646      1.00000
     78      -7.7734      1.00000
     79      -7.7583      1.00000
     80      -7.6929      1.00000
     81      -7.5590      1.00000
     82      -7.3408      1.00000
     83      -7.3244      1.00000
     84      -7.2050      1.00000
     85      -7.1239      1.00000
     86      -7.0329      1.00000
     87      -7.0132      1.00000
     88      -6.7048      1.00000
     89      -6.6786      1.00000
     90      -6.6418      1.00000
     91      -6.5989      1.00000
     92      -6.1184      1.00000
     93      -6.0632      1.00000
     94      -6.0318      1.00000
     95      -6.0123      1.00000
     96      -5.7836      1.00000
     97      -4.9729      1.00000
     98      -4.8325      1.00000
     99      -4.7477      1.00000
    100      -4.6800      1.00000
    101      -4.4673      1.00000
    102      -4.2019      1.00000
    103      -4.1724      1.00000
    104      -4.1287      1.00000
    105      -3.7295      1.00000
    106      -3.4849      1.00000
    107      -1.8719      0.00000
    108      -1.8109      0.00000
    109      -1.5260      0.00000
    110      -1.3792      0.00000
    111      -1.3236      0.00000
    112      -1.2902      0.00000
    113      -0.7220      0.00000
    114      -0.3785      0.00000
    115      -0.2519      0.00000
    116       0.0332      0.00000
    117       0.5504      0.00000
    118       0.6954      0.00000
    119       0.7435      0.00000
    120       1.0446      0.00000
    121       1.0970      0.00000
    122       1.1454      0.00000
    123       1.2242      0.00000
    124       1.3746      0.00000
    125       1.5120      0.00000
    126       1.5655      0.00000
    127       1.7096      0.00000
    128       1.8005      0.00000
    129       1.8521      0.00000
    130       1.8780      0.00000
    131       2.0811      0.00000
    132       2.1775      0.00000
    133       2.2292      0.00000
    134       2.2888      0.00000
    135       2.5052      0.00000
    136       2.5787      0.00000
    137       2.6054      0.00000
    138       2.7676      0.00000
    139       2.7831      0.00000
    140       2.8186      0.00000
    141       2.8387      0.00000
    142       2.8816      0.00000
    143       2.9298      0.00000
    144       3.0555      0.00000
    145       3.1474      0.00000
    146       3.2799      0.00000
    147       3.3561      0.00000
    148       3.4065      0.00000
    149       3.4553      0.00000
    150       3.5870      0.00000
    151       3.6309      0.00000
    152       3.6510      0.00000
    153       3.7002      0.00000
    154       3.8938      0.00000
    155       3.9340      0.00000
    156       4.0037      0.00000
    157       4.0485      0.00000
    158       4.2176      0.00000
    159       4.2355      0.00000
    160       4.2589      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2836      1.00000
      2     -22.0782      1.00000
      3     -21.7168      1.00000
      4     -21.6853      1.00000
      5     -20.9796      1.00000
      6     -20.9394      1.00000
      7     -20.6120      1.00000
      8     -20.5757      1.00000
      9     -20.5695      1.00000
     10     -20.0332      1.00000
     11     -19.5038      1.00000
     12     -19.4920      1.00000
     13     -19.3074      1.00000
     14     -19.3021      1.00000
     15     -18.4482      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9135      1.00000
     19     -17.7622      1.00000
     20     -17.7267      1.00000
     21     -17.4368      1.00000
     22     -17.4292      1.00000
     23     -17.3419      1.00000
     24     -16.4636      1.00000
     25     -16.4625      1.00000
     26     -15.9677      1.00000
     27     -15.4145      1.00000
     28     -15.4097      1.00000
     29     -15.0969      1.00000
     30     -15.0940      1.00000
     31     -14.8560      1.00000
     32     -14.8483      1.00000
     33     -14.2914      1.00000
     34     -14.2587      1.00000
     35     -13.4379      1.00000
     36     -13.4055      1.00000
     37     -13.1785      1.00000
     38     -13.1747      1.00000
     39     -12.9824      1.00000
     40     -12.9775      1.00000
     41     -12.6142      1.00000
     42     -12.6105      1.00000
     43     -12.1991      1.00000
     44     -11.5768      1.00000
     45     -11.5433      1.00000
     46     -11.3110      1.00000
     47     -11.2884      1.00000
     48     -11.1435      1.00000
     49     -10.6764      1.00000
     50     -10.6620      1.00000
     51     -10.5512      1.00000
     52     -10.3249      1.00000
     53     -10.3184      1.00000
     54     -10.1697      1.00000
     55     -10.1167      1.00000
     56     -10.1135      1.00000
     57      -9.7981      1.00000
     58      -9.7665      1.00000
     59      -9.7523      1.00000
     60      -9.7008      1.00000
     61      -9.6989      1.00000
     62      -9.6619      1.00000
     63      -9.3563      1.00000
     64      -9.3521      1.00000
     65      -9.3161      1.00000
     66      -9.0406      1.00000
     67      -8.9640      1.00000
     68      -8.9497      1.00000
     69      -8.7993      1.00000
     70      -8.5950      1.00000
     71      -8.5582      1.00000
     72      -8.3981      1.00000
     73      -8.3653      1.00000
     74      -8.3256      1.00000
     75      -8.3081      1.00000
     76      -8.2601      1.00000
     77      -8.2584      1.00000
     78      -8.2372      1.00000
     79      -7.9055      1.00000
     80      -7.6508      1.00000
     81      -7.5478      1.00000
     82      -7.3883      1.00000
     83      -7.3512      1.00000
     84      -7.2332      1.00000
     85      -7.0973      1.00000
     86      -7.0395      1.00000
     87      -6.9345      1.00000
     88      -6.8494      1.00000
     89      -6.6136      1.00000
     90      -6.5611      1.00000
     91      -6.2708      1.00000
     92      -6.0437      1.00000
     93      -5.9522      1.00000
     94      -5.6631      1.00000
     95      -5.6236      1.00000
     96      -5.4626      1.00000
     97      -5.3202      1.00000
     98      -5.2796      1.00000
     99      -5.2147      1.00000
    100      -5.1950      1.00000
    101      -4.5062      1.00000
    102      -4.2056      1.00000
    103      -4.0587      1.00000
    104      -3.9902      1.00000
    105      -3.6946      1.00000
    106      -3.4951      1.00000
    107      -1.9477      0.00000
    108      -1.8987      0.00000
    109      -1.3401      0.00000
    110      -1.0871      0.00000
    111      -1.0600      0.00000
    112      -0.8026      0.00000
    113      -0.6794      0.00000
    114      -0.6490      0.00000
    115      -0.6095      0.00000
    116      -0.1115      0.00000
    117       0.2130      0.00000
    118       0.3259      0.00000
    119       0.6883      0.00000
    120       0.8825      0.00000
    121       1.1228      0.00000
    122       1.1964      0.00000
    123       1.3217      0.00000
    124       1.4103      0.00000
    125       1.5513      0.00000
    126       1.5735      0.00000
    127       1.6719      0.00000
    128       1.8123      0.00000
    129       1.8610      0.00000
    130       2.0319      0.00000
    131       2.0923      0.00000
    132       2.3023      0.00000
    133       2.3477      0.00000
    134       2.3832      0.00000
    135       2.5373      0.00000
    136       2.6224      0.00000
    137       2.7175      0.00000
    138       2.7324      0.00000
    139       2.7998      0.00000
    140       2.8730      0.00000
    141       3.0327      0.00000
    142       3.0464      0.00000
    143       3.1562      0.00000
    144       3.2525      0.00000
    145       3.3414      0.00000
    146       3.3980      0.00000
    147       3.4189      0.00000
    148       3.5597      0.00000
    149       3.5749      0.00000
    150       3.5852      0.00000
    151       3.6461      0.00000
    152       3.6601      0.00000
    153       3.7631      0.00000
    154       3.7720      0.00000
    155       3.7819      0.00000
    156       3.8648      0.00000
    157       3.9123      0.00000
    158       3.9722      0.00000
    159       4.2054      0.00000
    160       4.2126      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3176      1.00000
      2     -21.9628      1.00000
      3     -21.8942      1.00000
      4     -21.3811      1.00000
      5     -21.3521      1.00000
      6     -20.8399      1.00000
      7     -20.7751      1.00000
      8     -20.6246      1.00000
      9     -20.0779      1.00000
     10     -20.0724      1.00000
     11     -19.7173      1.00000
     12     -19.6930      1.00000
     13     -18.9969      1.00000
     14     -18.9912      1.00000
     15     -18.6411      1.00000
     16     -18.6252      1.00000
     17     -18.4629      1.00000
     18     -17.6758      1.00000
     19     -17.6259      1.00000
     20     -17.6230      1.00000
     21     -17.5815      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9630      1.00000
     25     -16.0028      1.00000
     26     -15.9294      1.00000
     27     -15.5865      1.00000
     28     -15.5863      1.00000
     29     -15.2874      1.00000
     30     -14.8650      1.00000
     31     -14.8379      1.00000
     32     -14.5800      1.00000
     33     -14.5385      1.00000
     34     -14.1690      1.00000
     35     -14.1556      1.00000
     36     -13.1496      1.00000
     37     -13.1013      1.00000
     38     -13.0311      1.00000
     39     -13.0210      1.00000
     40     -12.7103      1.00000
     41     -12.7063      1.00000
     42     -12.3419      1.00000
     43     -12.3108      1.00000
     44     -11.6365      1.00000
     45     -11.6230      1.00000
     46     -11.5723      1.00000
     47     -10.9499      1.00000
     48     -10.9171      1.00000
     49     -10.6319      1.00000
     50     -10.6262      1.00000
     51     -10.5474      1.00000
     52     -10.5003      1.00000
     53     -10.5001      1.00000
     54     -10.4417      1.00000
     55     -10.3621      1.00000
     56     -10.0987      1.00000
     57      -9.9037      1.00000
     58      -9.6102      1.00000
     59      -9.5583      1.00000
     60      -9.4527      1.00000
     61      -9.4128      1.00000
     62      -9.4055      1.00000
     63      -9.3791      1.00000
     64      -9.3788      1.00000
     65      -9.2871      1.00000
     66      -9.1693      1.00000
     67      -9.1441      1.00000
     68      -9.1151      1.00000
     69      -8.8652      1.00000
     70      -8.8580      1.00000
     71      -8.8150      1.00000
     72      -8.5973      1.00000
     73      -8.4801      1.00000
     74      -8.1996      1.00000
     75      -8.1643      1.00000
     76      -8.0093      1.00000
     77      -7.9616      1.00000
     78      -7.8528      1.00000
     79      -7.8425      1.00000
     80      -7.7063      1.00000
     81      -7.6986      1.00000
     82      -7.6232      1.00000
     83      -7.4484      1.00000
     84      -7.3019      1.00000
     85      -7.2530      1.00000
     86      -6.9077      1.00000
     87      -6.8940      1.00000
     88      -6.5892      1.00000
     89      -6.5520      1.00000
     90      -6.4092      1.00000
     91      -6.2541      1.00000
     92      -6.2340      1.00000
     93      -6.2060      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4890      1.00000
     97      -5.3500      1.00000
     98      -5.2206      1.00000
     99      -4.9806      1.00000
    100      -4.7319      1.00000
    101      -4.6784      1.00000
    102      -4.3871      1.00000
    103      -4.2009      1.00000
    104      -3.8696      1.00000
    105      -3.5480      1.00000
    106      -3.5066      1.00000
    107      -2.2581      0.00000
    108      -1.4578      0.00000
    109      -1.3732      0.00000
    110      -1.2437      0.00000
    111      -1.0996      0.00000
    112      -0.9472      0.00000
    113      -0.8661      0.00000
    114      -0.8057      0.00000
    115      -0.1432      0.00000
    116       0.1086      0.00000
    117       0.2389      0.00000
    118       0.3748      0.00000
    119       0.6457      0.00000
    120       0.8328      0.00000
    121       0.9339      0.00000
    122       1.0600      0.00000
    123       1.2237      0.00000
    124       1.4415      0.00000
    125       1.5461      0.00000
    126       1.7634      0.00000
    127       1.7853      0.00000
    128       1.8600      0.00000
    129       1.9509      0.00000
    130       2.0281      0.00000
    131       2.1637      0.00000
    132       2.1745      0.00000
    133       2.3999      0.00000
    134       2.4156      0.00000
    135       2.5154      0.00000
    136       2.6015      0.00000
    137       2.6322      0.00000
    138       2.6842      0.00000
    139       2.7629      0.00000
    140       2.8364      0.00000
    141       2.9399      0.00000
    142       3.0680      0.00000
    143       3.1852      0.00000
    144       3.1923      0.00000
    145       3.2287      0.00000
    146       3.2933      0.00000
    147       3.3019      0.00000
    148       3.4549      0.00000
    149       3.4839      0.00000
    150       3.6769      0.00000
    151       3.7039      0.00000
    152       3.7081      0.00000
    153       3.8512      0.00000
    154       3.9049      0.00000
    155       3.9370      0.00000
    156       3.9640      0.00000
    157       3.9931      0.00000
    158       4.0239      0.00000
    159       4.0368      0.00000
    160       4.0620      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2103      1.00000
      2     -22.1181      1.00000
      3     -21.9572      1.00000
      4     -21.4048      1.00000
      5     -21.0500      1.00000
      6     -21.0145      1.00000
      7     -20.5009      1.00000
      8     -20.4619      1.00000
      9     -20.2955      1.00000
     10     -20.2764      1.00000
     11     -19.9579      1.00000
     12     -19.8925      1.00000
     13     -18.8829      1.00000
     14     -18.8145      1.00000
     15     -18.3534      1.00000
     16     -18.3075      1.00000
     17     -18.1538      1.00000
     18     -18.1368      1.00000
     19     -17.8274      1.00000
     20     -17.7901      1.00000
     21     -17.2527      1.00000
     22     -17.2427      1.00000
     23     -17.1659      1.00000
     24     -17.1338      1.00000
     25     -16.1108      1.00000
     26     -15.8858      1.00000
     27     -15.8709      1.00000
     28     -15.8353      1.00000
     29     -15.2377      1.00000
     30     -14.5558      1.00000
     31     -14.5281      1.00000
     32     -14.2814      1.00000
     33     -13.9652      1.00000
     34     -13.9576      1.00000
     35     -13.8218      1.00000
     36     -13.8059      1.00000
     37     -13.6156      1.00000
     38     -13.5720      1.00000
     39     -13.3705      1.00000
     40     -12.6353      1.00000
     41     -12.1819      1.00000
     42     -12.1342      1.00000
     43     -12.0726      1.00000
     44     -12.0204      1.00000
     45     -11.6711      1.00000
     46     -11.6578      1.00000
     47     -11.1399      1.00000
     48     -11.1197      1.00000
     49     -10.7953      1.00000
     50     -10.7319      1.00000
     51     -10.5261      1.00000
     52     -10.2105      1.00000
     53     -10.2064      1.00000
     54     -10.1648      1.00000
     55     -10.0192      1.00000
     56     -10.0047      1.00000
     57      -9.9915      1.00000
     58      -9.8027      1.00000
     59      -9.7991      1.00000
     60      -9.7640      1.00000
     61      -9.7593      1.00000
     62      -9.4553      1.00000
     63      -9.4169      1.00000
     64      -9.0801      1.00000
     65      -9.0739      1.00000
     66      -9.0424      1.00000
     67      -8.9564      1.00000
     68      -8.8773      1.00000
     69      -8.7138      1.00000
     70      -8.7014      1.00000
     71      -8.5667      1.00000
     72      -8.5440      1.00000
     73      -8.4990      1.00000
     74      -8.4646      1.00000
     75      -8.4541      1.00000
     76      -8.2600      1.00000
     77      -8.1257      1.00000
     78      -8.0435      1.00000
     79      -7.9176      1.00000
     80      -7.8628      1.00000
     81      -7.6157      1.00000
     82      -7.5496      1.00000
     83      -7.4909      1.00000
     84      -7.2679      1.00000
     85      -6.9974      1.00000
     86      -6.9255      1.00000
     87      -6.8844      1.00000
     88      -6.5339      1.00000
     89      -6.4884      1.00000
     90      -6.4617      1.00000
     91      -6.4110      1.00000
     92      -5.9838      1.00000
     93      -5.8978      1.00000
     94      -5.7852      1.00000
     95      -5.7605      1.00000
     96      -5.4317      1.00000
     97      -5.3296      1.00000
     98      -5.2310      1.00000
     99      -5.2184      1.00000
    100      -5.1896      1.00000
    101      -4.6919      1.00000
    102      -4.4207      1.00000
    103      -4.2073      1.00000
    104      -3.8325      1.00000
    105      -3.5258      1.00000
    106      -3.2759      1.00000
    107      -2.5331      0.00000
    108      -1.4592      0.00000
    109      -1.2688      0.00000
    110      -1.2049      0.00000
    111      -1.1742      0.00000
    112      -0.7222      0.00000
    113      -0.5059      0.00000
    114      -0.4145      0.00000
    115      -0.3414      0.00000
    116      -0.1485      0.00000
    117      -0.0054      0.00000
    118       0.1904      0.00000
    119       0.5585      0.00000
    120       0.6098      0.00000
    121       0.7900      0.00000
    122       0.9031      0.00000
    123       1.1245      0.00000
    124       1.4828      0.00000
    125       1.6385      0.00000
    126       1.8308      0.00000
    127       1.9186      0.00000
    128       2.0897      0.00000
    129       2.1041      0.00000
    130       2.1105      0.00000
    131       2.1760      0.00000
    132       2.2767      0.00000
    133       2.3083      0.00000
    134       2.4653      0.00000
    135       2.5650      0.00000
    136       2.6511      0.00000
    137       2.8440      0.00000
    138       2.8667      0.00000
    139       2.8869      0.00000
    140       2.9874      0.00000
    141       3.0230      0.00000
    142       3.1342      0.00000
    143       3.1607      0.00000
    144       3.2184      0.00000
    145       3.2682      0.00000
    146       3.2779      0.00000
    147       3.2945      0.00000
    148       3.3389      0.00000
    149       3.3992      0.00000
    150       3.4242      0.00000
    151       3.5177      0.00000
    152       3.6070      0.00000
    153       3.6800      0.00000
    154       3.7025      0.00000
    155       3.7647      0.00000
    156       3.8874      0.00000
    157       3.9248      0.00000
    158       3.9946      0.00000
    159       4.1113      0.00000
    160       4.2234      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3174      1.00000
      2     -21.9644      1.00000
      3     -21.8927      1.00000
      4     -21.3848      1.00000
      5     -21.3487      1.00000
      6     -20.8397      1.00000
      7     -20.7737      1.00000
      8     -20.6254      1.00000
      9     -20.0899      1.00000
     10     -20.0615      1.00000
     11     -19.7189      1.00000
     12     -19.6903      1.00000
     13     -19.0102      1.00000
     14     -18.9795      1.00000
     15     -18.6504      1.00000
     16     -18.6179      1.00000
     17     -18.4613      1.00000
     18     -17.6611      1.00000
     19     -17.6474      1.00000
     20     -17.6114      1.00000
     21     -17.5788      1.00000
     22     -17.1379      1.00000
     23     -17.0983      1.00000
     24     -16.9669      1.00000
     25     -16.0092      1.00000
     26     -15.9238      1.00000
     27     -15.5993      1.00000
     28     -15.5761      1.00000
     29     -15.2809      1.00000
     30     -14.8773      1.00000
     31     -14.8307      1.00000
     32     -14.5756      1.00000
     33     -14.5379      1.00000
     34     -14.1650      1.00000
     35     -14.1608      1.00000
     36     -13.1631      1.00000
     37     -13.0965      1.00000
     38     -13.0240      1.00000
     39     -13.0196      1.00000
     40     -12.7187      1.00000
     41     -12.6957      1.00000
     42     -12.3414      1.00000
     43     -12.3143      1.00000
     44     -11.6329      1.00000
     45     -11.6239      1.00000
     46     -11.5711      1.00000
     47     -10.9418      1.00000
     48     -10.9239      1.00000
     49     -10.6679      1.00000
     50     -10.5910      1.00000
     51     -10.5735      1.00000
     52     -10.5023      1.00000
     53     -10.4892      1.00000
     54     -10.4402      1.00000
     55     -10.3569      1.00000
     56     -10.1032      1.00000
     57      -9.8979      1.00000
     58      -9.6093      1.00000
     59      -9.5521      1.00000
     60      -9.4537      1.00000
     61      -9.4198      1.00000
     62      -9.4101      1.00000
     63      -9.3806      1.00000
     64      -9.3730      1.00000
     65      -9.2677      1.00000
     66      -9.1668      1.00000
     67      -9.1428      1.00000
     68      -9.1172      1.00000
     69      -8.8673      1.00000
     70      -8.8614      1.00000
     71      -8.8022      1.00000
     72      -8.5965      1.00000
     73      -8.5260      1.00000
     74      -8.1947      1.00000
     75      -8.1720      1.00000
     76      -8.0761      1.00000
     77      -7.8589      1.00000
     78      -7.8382      1.00000
     79      -7.8231      1.00000
     80      -7.7116      1.00000
     81      -7.6975      1.00000
     82      -7.5986      1.00000
     83      -7.5286      1.00000
     84      -7.3511      1.00000
     85      -7.1686      1.00000
     86      -6.9070      1.00000
     87      -6.8973      1.00000
     88      -6.5931      1.00000
     89      -6.5522      1.00000
     90      -6.4072      1.00000
     91      -6.3029      1.00000
     92      -6.2481      1.00000
     93      -6.2029      1.00000
     94      -6.0045      1.00000
     95      -5.5318      1.00000
     96      -5.4664      1.00000
     97      -5.3145      1.00000
     98      -5.2105      1.00000
     99      -5.0465      1.00000
    100      -4.7235      1.00000
    101      -4.6719      1.00000
    102      -4.4227      1.00000
    103      -4.1931      1.00000
    104      -3.8413      1.00000
    105      -3.6336      1.00000
    106      -3.4157      1.00000
    107      -2.2944      0.00000
    108      -1.5108      0.00000
    109      -1.2721      0.00000
    110      -1.2646      0.00000
    111      -1.0362      0.00000
    112      -0.9796      0.00000
    113      -0.8701      0.00000
    114      -0.8017      0.00000
    115      -0.2647      0.00000
    116       0.2017      0.00000
    117       0.2370      0.00000
    118       0.3567      0.00000
    119       0.6856      0.00000
    120       0.8912      0.00000
    121       0.9206      0.00000
    122       1.0357      0.00000
    123       1.1611      0.00000
    124       1.5043      0.00000
    125       1.5460      0.00000
    126       1.7012      0.00000
    127       1.7759      0.00000
    128       1.8253      0.00000
    129       1.9459      0.00000
    130       1.9702      0.00000
    131       2.1634      0.00000
    132       2.2550      0.00000
    133       2.3993      0.00000
    134       2.4179      0.00000
    135       2.5203      0.00000
    136       2.5961      0.00000
    137       2.6154      0.00000
    138       2.6903      0.00000
    139       2.7454      0.00000
    140       2.8547      0.00000
    141       3.0296      0.00000
    142       3.0618      0.00000
    143       3.1804      0.00000
    144       3.2138      0.00000
    145       3.2327      0.00000
    146       3.2824      0.00000
    147       3.3230      0.00000
    148       3.4329      0.00000
    149       3.5086      0.00000
    150       3.6894      0.00000
    151       3.7077      0.00000
    152       3.7149      0.00000
    153       3.8186      0.00000
    154       3.8807      0.00000
    155       3.9121      0.00000
    156       3.9745      0.00000
    157       3.9867      0.00000
    158       4.0225      0.00000
    159       4.0508      0.00000
    160       4.0882      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3896      1.00000
      2     -21.8308      1.00000
      3     -21.6416      1.00000
      4     -21.6069      1.00000
      5     -21.2790      1.00000
      6     -21.2323      1.00000
      7     -21.0569      1.00000
      8     -20.1716      1.00000
      9     -20.1259      1.00000
     10     -19.6174      1.00000
     11     -19.5913      1.00000
     12     -19.4161      1.00000
     13     -19.0949      1.00000
     14     -19.0566      1.00000
     15     -19.0523      1.00000
     16     -19.0394      1.00000
     17     -18.3675      1.00000
     18     -18.3477      1.00000
     19     -18.0172      1.00000
     20     -17.0727      1.00000
     21     -17.0245      1.00000
     22     -16.9506      1.00000
     23     -16.9367      1.00000
     24     -16.4757      1.00000
     25     -16.4640      1.00000
     26     -15.6103      1.00000
     27     -15.6098      1.00000
     28     -15.2508      1.00000
     29     -15.2386      1.00000
     30     -15.1917      1.00000
     31     -15.1018      1.00000
     32     -15.0689      1.00000
     33     -14.6994      1.00000
     34     -14.6983      1.00000
     35     -13.7261      1.00000
     36     -13.7259      1.00000
     37     -13.2357      1.00000
     38     -12.6248      1.00000
     39     -12.5810      1.00000
     40     -12.4551      1.00000
     41     -12.4497      1.00000
     42     -12.1066      1.00000
     43     -12.1015      1.00000
     44     -11.7227      1.00000
     45     -11.6844      1.00000
     46     -11.2464      1.00000
     47     -11.2260      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9288      1.00000
     51     -10.9004      1.00000
     52     -10.6349      1.00000
     53     -10.1726      1.00000
     54     -10.1500      1.00000
     55     -10.0855      1.00000
     56      -9.9909      1.00000
     57      -9.6971      1.00000
     58      -9.6902      1.00000
     59      -9.6708      1.00000
     60      -9.5934      1.00000
     61      -9.5691      1.00000
     62      -9.5534      1.00000
     63      -9.3134      1.00000
     64      -9.3008      1.00000
     65      -9.2827      1.00000
     66      -9.2449      1.00000
     67      -9.1227      1.00000
     68      -9.1132      1.00000
     69      -9.1114      1.00000
     70      -8.9396      1.00000
     71      -8.8773      1.00000
     72      -8.6067      1.00000
     73      -8.5882      1.00000
     74      -8.2701      1.00000
     75      -8.1021      1.00000
     76      -7.8698      1.00000
     77      -7.8440      1.00000
     78      -7.7901      1.00000
     79      -7.7654      1.00000
     80      -7.7567      1.00000
     81      -7.4457      1.00000
     82      -7.3356      1.00000
     83      -7.3239      1.00000
     84      -7.2662      1.00000
     85      -7.1640      1.00000
     86      -7.0174      1.00000
     87      -6.9873      1.00000
     88      -6.7179      1.00000
     89      -6.6916      1.00000
     90      -6.6322      1.00000
     91      -6.5917      1.00000
     92      -6.1183      1.00000
     93      -6.0609      1.00000
     94      -6.0452      1.00000
     95      -6.0297      1.00000
     96      -5.7490      1.00000
     97      -4.9734      1.00000
     98      -4.8394      1.00000
     99      -4.7101      1.00000
    100      -4.6745      1.00000
    101      -4.4830      1.00000
    102      -4.3493      1.00000
    103      -4.1123      1.00000
    104      -4.0558      1.00000
    105      -3.7547      1.00000
    106      -3.4630      1.00000
    107      -1.9521      0.00000
    108      -1.7733      0.00000
    109      -1.4821      0.00000
    110      -1.3574      0.00000
    111      -1.3380      0.00000
    112      -1.2941      0.00000
    113      -0.6805      0.00000
    114      -0.4739      0.00000
    115      -0.2377      0.00000
    116       0.0478      0.00000
    117       0.5817      0.00000
    118       0.6900      0.00000
    119       0.7667      0.00000
    120       1.0185      0.00000
    121       1.0948      0.00000
    122       1.1738      0.00000
    123       1.2470      0.00000
    124       1.3330      0.00000
    125       1.4193      0.00000
    126       1.5802      0.00000
    127       1.7542      0.00000
    128       1.8374      0.00000
    129       1.8549      0.00000
    130       1.8816      0.00000
    131       2.0251      0.00000
    132       2.2037      0.00000
    133       2.2301      0.00000
    134       2.2682      0.00000
    135       2.4695      0.00000
    136       2.6045      0.00000
    137       2.6253      0.00000
    138       2.7351      0.00000
    139       2.7606      0.00000
    140       2.8319      0.00000
    141       2.8376      0.00000
    142       2.8512      0.00000
    143       2.9309      0.00000
    144       3.0606      0.00000
    145       3.2775      0.00000
    146       3.3468      0.00000
    147       3.3858      0.00000
    148       3.4004      0.00000
    149       3.4135      0.00000
    150       3.5620      0.00000
    151       3.6169      0.00000
    152       3.6672      0.00000
    153       3.7186      0.00000
    154       3.8869      0.00000
    155       3.9019      0.00000
    156       3.9326      0.00000
    157       4.0858      0.00000
    158       4.1824      0.00000
    159       4.2505      0.00000
    160       4.2866      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2093      1.00000
      2     -22.1195      1.00000
      3     -21.9569      1.00000
      4     -21.4049      1.00000
      5     -21.0462      1.00000
      6     -21.0182      1.00000
      7     -20.4962      1.00000
      8     -20.4666      1.00000
      9     -20.2866      1.00000
     10     -20.2846      1.00000
     11     -19.9569      1.00000
     12     -19.8943      1.00000
     13     -18.8836      1.00000
     14     -18.8167      1.00000
     15     -18.3381      1.00000
     16     -18.3190      1.00000
     17     -18.1497      1.00000
     18     -18.1422      1.00000
     19     -17.8163      1.00000
     20     -17.7983      1.00000
     21     -17.2588      1.00000
     22     -17.2395      1.00000
     23     -17.1611      1.00000
     24     -17.1364      1.00000
     25     -16.1163      1.00000
     26     -15.8812      1.00000
     27     -15.8702      1.00000
     28     -15.8415      1.00000
     29     -15.2320      1.00000
     30     -14.5518      1.00000
     31     -14.5336      1.00000
     32     -14.2769      1.00000
     33     -13.9753      1.00000
     34     -13.9518      1.00000
     35     -13.8254      1.00000
     36     -13.8035      1.00000
     37     -13.6051      1.00000
     38     -13.5799      1.00000
     39     -13.3704      1.00000
     40     -12.6388      1.00000
     41     -12.1701      1.00000
     42     -12.1438      1.00000
     43     -12.0688      1.00000
     44     -12.0223      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1379      1.00000
     48     -11.1272      1.00000
     49     -10.7916      1.00000
     50     -10.7359      1.00000
     51     -10.5328      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1705      1.00000
     55     -10.0230      1.00000
     56      -9.9943      1.00000
     57      -9.9909      1.00000
     58      -9.8060      1.00000
     59      -9.7967      1.00000
     60      -9.7661      1.00000
     61      -9.7582      1.00000
     62      -9.4561      1.00000
     63      -9.4167      1.00000
     64      -9.0848      1.00000
     65      -9.0467      1.00000
     66      -9.0259      1.00000
     67      -8.9718      1.00000
     68      -8.8973      1.00000
     69      -8.7089      1.00000
     70      -8.7000      1.00000
     71      -8.5620      1.00000
     72      -8.5511      1.00000
     73      -8.4781      1.00000
     74      -8.4611      1.00000
     75      -8.4576      1.00000
     76      -8.3073      1.00000
     77      -8.0948      1.00000
     78      -8.0898      1.00000
     79      -7.9275      1.00000
     80      -7.8319      1.00000
     81      -7.6012      1.00000
     82      -7.5394      1.00000
     83      -7.4455      1.00000
     84      -7.3132      1.00000
     85      -6.9943      1.00000
     86      -6.9205      1.00000
     87      -6.8827      1.00000
     88      -6.5303      1.00000
     89      -6.5162      1.00000
     90      -6.4823      1.00000
     91      -6.4212      1.00000
     92      -5.9271      1.00000
     93      -5.9061      1.00000
     94      -5.7896      1.00000
     95      -5.7753      1.00000
     96      -5.3698      1.00000
     97      -5.3631      1.00000
     98      -5.2215      1.00000
     99      -5.2163      1.00000
    100      -5.1993      1.00000
    101      -4.7199      1.00000
    102      -4.4406      1.00000
    103      -4.1893      1.00000
    104      -3.8188      1.00000
    105      -3.5624      1.00000
    106      -3.2230      1.00000
    107      -2.5645      0.00000
    108      -1.4644      0.00000
    109      -1.2689      0.00000
    110      -1.1875      0.00000
    111      -1.1858      0.00000
    112      -0.6472      0.00000
    113      -0.5538      0.00000
    114      -0.4170      0.00000
    115      -0.3498      0.00000
    116      -0.0803      0.00000
    117      -0.0655      0.00000
    118       0.1234      0.00000
    119       0.5904      0.00000
    120       0.6233      0.00000
    121       0.8520      0.00000
    122       0.9755      0.00000
    123       0.9989      0.00000
    124       1.4903      0.00000
    125       1.6785      0.00000
    126       1.7421      0.00000
    127       1.8503      0.00000
    128       2.1008      0.00000
    129       2.1065      0.00000
    130       2.1733      0.00000
    131       2.2069      0.00000
    132       2.2435      0.00000
    133       2.3294      0.00000
    134       2.4887      0.00000
    135       2.5006      0.00000
    136       2.6551      0.00000
    137       2.8500      0.00000
    138       2.8571      0.00000
    139       2.9459      0.00000
    140       2.9808      0.00000
    141       3.0270      0.00000
    142       3.1296      0.00000
    143       3.1745      0.00000
    144       3.2331      0.00000
    145       3.2365      0.00000
    146       3.2735      0.00000
    147       3.2950      0.00000
    148       3.3474      0.00000
    149       3.3784      0.00000
    150       3.5357      0.00000
    151       3.5506      0.00000
    152       3.6351      0.00000
    153       3.6405      0.00000
    154       3.6762      0.00000
    155       3.6997      0.00000
    156       3.8883      0.00000
    157       3.9326      0.00000
    158       4.0313      0.00000
    159       4.0569      0.00000
    160       4.1625      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2831      1.00000
      2     -22.0789      1.00000
      3     -21.7203      1.00000
      4     -21.6815      1.00000
      5     -20.9829      1.00000
      6     -20.9356      1.00000
      7     -20.6115      1.00000
      8     -20.5795      1.00000
      9     -20.5662      1.00000
     10     -20.0326      1.00000
     11     -19.5137      1.00000
     12     -19.4839      1.00000
     13     -19.3121      1.00000
     14     -19.2990      1.00000
     15     -18.4499      1.00000
     16     -18.4072      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7662      1.00000
     20     -17.7217      1.00000
     21     -17.4424      1.00000
     22     -17.4239      1.00000
     23     -17.3389      1.00000
     24     -16.4718      1.00000
     25     -16.4618      1.00000
     26     -15.9704      1.00000
     27     -15.4118      1.00000
     28     -15.4108      1.00000
     29     -15.0968      1.00000
     30     -15.0939      1.00000
     31     -14.8543      1.00000
     32     -14.8419      1.00000
     33     -14.2982      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4012      1.00000
     37     -13.1763      1.00000
     38     -13.1748      1.00000
     39     -12.9857      1.00000
     40     -12.9767      1.00000
     41     -12.6120      1.00000
     42     -12.6098      1.00000
     43     -12.1973      1.00000
     44     -11.5806      1.00000
     45     -11.5398      1.00000
     46     -11.3146      1.00000
     47     -11.2845      1.00000
     48     -11.1424      1.00000
     49     -10.6926      1.00000
     50     -10.6645      1.00000
     51     -10.5456      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1759      1.00000
     55     -10.1229      1.00000
     56     -10.1092      1.00000
     57      -9.8109      1.00000
     58      -9.7527      1.00000
     59      -9.7526      1.00000
     60      -9.7029      1.00000
     61      -9.6992      1.00000
     62      -9.6468      1.00000
     63      -9.3532      1.00000
     64      -9.3519      1.00000
     65      -9.3198      1.00000
     66      -9.0273      1.00000
     67      -8.9624      1.00000
     68      -8.9584      1.00000
     69      -8.7756      1.00000
     70      -8.5937      1.00000
     71      -8.5871      1.00000
     72      -8.4235      1.00000
     73      -8.3500      1.00000
     74      -8.3237      1.00000
     75      -8.3034      1.00000
     76      -8.2675      1.00000
     77      -8.2561      1.00000
     78      -8.2414      1.00000
     79      -7.9220      1.00000
     80      -7.7342      1.00000
     81      -7.3801      1.00000
     82      -7.3506      1.00000
     83      -7.3222      1.00000
     84      -7.2182      1.00000
     85      -7.1601      1.00000
     86      -7.0666      1.00000
     87      -6.9610      1.00000
     88      -6.9063      1.00000
     89      -6.6161      1.00000
     90      -6.5572      1.00000
     91      -6.2739      1.00000
     92      -5.9971      1.00000
     93      -5.9599      1.00000
     94      -5.6756      1.00000
     95      -5.6487      1.00000
     96      -5.3880      1.00000
     97      -5.3159      1.00000
     98      -5.2943      1.00000
     99      -5.2129      1.00000
    100      -5.2011      1.00000
    101      -4.5099      1.00000
    102      -4.3354      1.00000
    103      -3.9965      1.00000
    104      -3.8865      1.00000
    105      -3.7924      1.00000
    106      -3.4414      1.00000
    107      -2.0361      0.00000
    108      -1.8656      0.00000
    109      -1.2193      0.00000
    110      -1.1858      0.00000
    111      -1.0379      0.00000
    112      -0.7745      0.00000
    113      -0.6797      0.00000
    114      -0.6619      0.00000
    115      -0.6114      0.00000
    116      -0.1055      0.00000
    117       0.2206      0.00000
    118       0.2369      0.00000
    119       0.7646      0.00000
    120       0.9780      0.00000
    121       1.0716      0.00000
    122       1.2366      0.00000
    123       1.2478      0.00000
    124       1.3330      0.00000
    125       1.5706      0.00000
    126       1.5820      0.00000
    127       1.6867      0.00000
    128       1.7970      0.00000
    129       1.9372      0.00000
    130       1.9407      0.00000
    131       2.0489      0.00000
    132       2.2663      0.00000
    133       2.3364      0.00000
    134       2.4131      0.00000
    135       2.5248      0.00000
    136       2.6269      0.00000
    137       2.7444      0.00000
    138       2.7952      0.00000
    139       2.8353      0.00000
    140       2.8579      0.00000
    141       3.0306      0.00000
    142       3.0942      0.00000
    143       3.1403      0.00000
    144       3.2066      0.00000
    145       3.3468      0.00000
    146       3.3993      0.00000
    147       3.4947      0.00000
    148       3.5217      0.00000
    149       3.5828      0.00000
    150       3.6059      0.00000
    151       3.6185      0.00000
    152       3.7276      0.00000
    153       3.7293      0.00000
    154       3.7570      0.00000
    155       3.7958      0.00000
    156       3.8505      0.00000
    157       3.9990      0.00000
    158       4.0805      0.00000
    159       4.1627      0.00000
    160       4.1821      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4264      1.00000
      2     -21.6025      1.00000
      3     -21.4818      1.00000
      4     -21.4727      1.00000
      5     -21.4412      1.00000
      6     -21.4407      1.00000
      7     -21.4304      1.00000
      8     -19.7073      1.00000
      9     -19.6528      1.00000
     10     -19.6300      1.00000
     11     -19.6189      1.00000
     12     -19.6138      1.00000
     13     -19.6125      1.00000
     14     -18.7901      1.00000
     15     -18.7549      1.00000
     16     -18.7354      1.00000
     17     -18.7260      1.00000
     18     -18.7187      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6097      1.00000
     22     -16.5859      1.00000
     23     -16.5823      1.00000
     24     -16.5553      1.00000
     25     -16.5537      1.00000
     26     -15.6145      1.00000
     27     -15.6029      1.00000
     28     -15.5993      1.00000
     29     -15.5655      1.00000
     30     -15.5638      1.00000
     31     -15.5620      1.00000
     32     -14.2601      1.00000
     33     -14.2511      1.00000
     34     -14.2417      1.00000
     35     -14.2367      1.00000
     36     -14.2231      1.00000
     37     -14.2203      1.00000
     38     -11.9063      1.00000
     39     -11.8800      1.00000
     40     -11.8693      1.00000
     41     -11.8663      1.00000
     42     -11.8460      1.00000
     43     -11.8459      1.00000
     44     -11.7716      1.00000
     45     -11.7696      1.00000
     46     -11.7360      1.00000
     47     -11.7297      1.00000
     48     -11.7263      1.00000
     49     -11.7229      1.00000
     50     -10.6742      1.00000
     51     -10.3890      1.00000
     52     -10.3847      1.00000
     53     -10.3776      1.00000
     54     -10.3691      1.00000
     55     -10.3568      1.00000
     56     -10.3541      1.00000
     57      -9.9021      1.00000
     58      -9.4498      1.00000
     59      -9.4056      1.00000
     60      -9.3628      1.00000
     61      -9.3620      1.00000
     62      -9.3543      1.00000
     63      -9.1428      1.00000
     64      -9.1237      1.00000
     65      -9.1219      1.00000
     66      -9.0864      1.00000
     67      -9.0725      1.00000
     68      -9.0718      1.00000
     69      -9.0716      1.00000
     70      -9.0662      1.00000
     71      -9.0652      1.00000
     72      -9.0400      1.00000
     73      -9.0299      1.00000
     74      -9.0271      1.00000
     75      -8.1303      1.00000
     76      -7.7415      1.00000
     77      -7.4707      1.00000
     78      -7.4673      1.00000
     79      -7.4553      1.00000
     80      -7.4360      1.00000
     81      -7.4256      1.00000
     82      -7.4082      1.00000
     83      -7.3123      1.00000
     84      -7.2712      1.00000
     85      -7.2578      1.00000
     86      -7.2493      1.00000
     87      -7.1523      1.00000
     88      -7.0501      1.00000
     89      -6.4469      1.00000
     90      -6.4160      1.00000
     91      -6.4006      1.00000
     92      -6.3643      1.00000
     93      -6.3537      1.00000
     94      -6.3419      1.00000
     95      -5.9612      1.00000
     96      -5.9587      1.00000
     97      -4.8036      1.00000
     98      -4.5433      1.00000
     99      -4.4826      1.00000
    100      -4.4733      1.00000
    101      -4.3835      1.00000
    102      -4.3829      1.00000
    103      -4.2679      1.00000
    104      -4.1864      1.00000
    105      -3.7390      1.00000
    106      -3.4748      1.00000
    107      -1.8631      0.00000
    108      -1.6730      0.00000
    109      -1.6255      0.00000
    110      -1.5934      0.00000
    111      -1.5776      0.00000
    112      -1.5770      0.00000
    113      -0.4315      0.00000
    114       0.1429      0.00000
    115       0.1899      0.00000
    116       0.2531      0.00000
    117       0.2657      0.00000
    118       0.2689      0.00000
    119       0.4735      0.00000
    120       0.5420      0.00000
    121       1.2428      0.00000
    122       1.2876      0.00000
    123       1.5130      0.00000
    124       1.7638      0.00000
    125       1.7642      0.00000
    126       1.7670      0.00000
    127       1.7807      0.00000
    128       1.8264      0.00000
    129       1.9555      0.00000
    130       1.9659      0.00000
    131       1.9719      0.00000
    132       1.9863      0.00000
    133       1.9936      0.00000
    134       2.0705      0.00000
    135       2.2495      0.00000
    136       2.3335      0.00000
    137       2.5903      0.00000
    138       2.5934      0.00000
    139       2.6055      0.00000
    140       2.6999      0.00000
    141       2.9421      0.00000
    142       3.0291      0.00000
    143       3.0346      0.00000
    144       3.0510      0.00000
    145       3.0548      0.00000
    146       3.0613      0.00000
    147       3.0954      0.00000
    148       3.2657      0.00000
    149       3.4148      0.00000
    150       3.4998      0.00000
    151       3.8224      0.00000
    152       3.9061      0.00000
    153       3.9271      0.00000
    154       3.9356      0.00000
    155       3.9617      0.00000
    156       4.0014      0.00000
    157       4.1774      0.00000
    158       4.2562      0.00000
    159       4.2720      0.00000
    160       4.2778      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3897      1.00000
      2     -21.8306      1.00000
      3     -21.6385      1.00000
      4     -21.6108      1.00000
      5     -21.2748      1.00000
      6     -21.2357      1.00000
      7     -21.0574      1.00000
      8     -20.1679      1.00000
      9     -20.1301      1.00000
     10     -19.6090      1.00000
     11     -19.5979      1.00000
     12     -19.4178      1.00000
     13     -19.0899      1.00000
     14     -19.0605      1.00000
     15     -19.0497      1.00000
     16     -19.0420      1.00000
     17     -18.3613      1.00000
     18     -18.3528      1.00000
     19     -18.0198      1.00000
     20     -17.0697      1.00000
     21     -17.0313      1.00000
     22     -16.9450      1.00000
     23     -16.9408      1.00000
     24     -16.4687      1.00000
     25     -16.4641      1.00000
     26     -15.6141      1.00000
     27     -15.6081      1.00000
     28     -15.2532      1.00000
     29     -15.2444      1.00000
     30     -15.1856      1.00000
     31     -15.0989      1.00000
     32     -15.0721      1.00000
     33     -14.6992      1.00000
     34     -14.6971      1.00000
     35     -13.7274      1.00000
     36     -13.7246      1.00000
     37     -13.2370      1.00000
     38     -12.6154      1.00000
     39     -12.5854      1.00000
     40     -12.4551      1.00000
     41     -12.4513      1.00000
     42     -12.1104      1.00000
     43     -12.1055      1.00000
     44     -11.7176      1.00000
     45     -11.6869      1.00000
     46     -11.2361      1.00000
     47     -11.2275      1.00000
     48     -11.0188      1.00000
     49     -11.0108      1.00000
     50     -10.9270      1.00000
     51     -10.9059      1.00000
     52     -10.6289      1.00000
     53     -10.1564      1.00000
     54     -10.1518      1.00000
     55     -10.0936      1.00000
     56      -9.9972      1.00000
     57      -9.7032      1.00000
     58      -9.6964      1.00000
     59      -9.6562      1.00000
     60      -9.5925      1.00000
     61      -9.5774      1.00000
     62      -9.5596      1.00000
     63      -9.3085      1.00000
     64      -9.3044      1.00000
     65      -9.2740      1.00000
     66      -9.2371      1.00000
     67      -9.1367      1.00000
     68      -9.1172      1.00000
     69      -9.1119      1.00000
     70      -8.9400      1.00000
     71      -8.8728      1.00000
     72      -8.6055      1.00000
     73      -8.5922      1.00000
     74      -8.2362      1.00000
     75      -8.1025      1.00000
     76      -7.9119      1.00000
     77      -7.8646      1.00000
     78      -7.7734      1.00000
     79      -7.7583      1.00000
     80      -7.6929      1.00000
     81      -7.5590      1.00000
     82      -7.3408      1.00000
     83      -7.3244      1.00000
     84      -7.2050      1.00000
     85      -7.1239      1.00000
     86      -7.0329      1.00000
     87      -7.0132      1.00000
     88      -6.7048      1.00000
     89      -6.6786      1.00000
     90      -6.6418      1.00000
     91      -6.5989      1.00000
     92      -6.1184      1.00000
     93      -6.0632      1.00000
     94      -6.0318      1.00000
     95      -6.0123      1.00000
     96      -5.7836      1.00000
     97      -4.9729      1.00000
     98      -4.8325      1.00000
     99      -4.7477      1.00000
    100      -4.6800      1.00000
    101      -4.4673      1.00000
    102      -4.2019      1.00000
    103      -4.1724      1.00000
    104      -4.1287      1.00000
    105      -3.7295      1.00000
    106      -3.4849      1.00000
    107      -1.8719      0.00000
    108      -1.8109      0.00000
    109      -1.5260      0.00000
    110      -1.3792      0.00000
    111      -1.3236      0.00000
    112      -1.2902      0.00000
    113      -0.7220      0.00000
    114      -0.3785      0.00000
    115      -0.2519      0.00000
    116       0.0332      0.00000
    117       0.5504      0.00000
    118       0.6954      0.00000
    119       0.7435      0.00000
    120       1.0446      0.00000
    121       1.0970      0.00000
    122       1.1454      0.00000
    123       1.2242      0.00000
    124       1.3746      0.00000
    125       1.5121      0.00000
    126       1.5655      0.00000
    127       1.7097      0.00000
    128       1.8004      0.00000
    129       1.8521      0.00000
    130       1.8780      0.00000
    131       2.0811      0.00000
    132       2.1775      0.00000
    133       2.2292      0.00000
    134       2.2888      0.00000
    135       2.5052      0.00000
    136       2.5787      0.00000
    137       2.6053      0.00000
    138       2.7676      0.00000
    139       2.7831      0.00000
    140       2.8186      0.00000
    141       2.8387      0.00000
    142       2.8816      0.00000
    143       2.9298      0.00000
    144       3.0555      0.00000
    145       3.1474      0.00000
    146       3.2799      0.00000
    147       3.3561      0.00000
    148       3.4065      0.00000
    149       3.4553      0.00000
    150       3.5869      0.00000
    151       3.6309      0.00000
    152       3.6510      0.00000
    153       3.7002      0.00000
    154       3.8938      0.00000
    155       3.9340      0.00000
    156       4.0037      0.00000
    157       4.0485      0.00000
    158       4.2176      0.00000
    159       4.2355      0.00000
    160       4.2589      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2836      1.00000
      2     -22.0782      1.00000
      3     -21.7168      1.00000
      4     -21.6853      1.00000
      5     -20.9796      1.00000
      6     -20.9394      1.00000
      7     -20.6120      1.00000
      8     -20.5757      1.00000
      9     -20.5695      1.00000
     10     -20.0332      1.00000
     11     -19.5038      1.00000
     12     -19.4920      1.00000
     13     -19.3074      1.00000
     14     -19.3021      1.00000
     15     -18.4482      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9135      1.00000
     19     -17.7622      1.00000
     20     -17.7267      1.00000
     21     -17.4368      1.00000
     22     -17.4292      1.00000
     23     -17.3419      1.00000
     24     -16.4636      1.00000
     25     -16.4625      1.00000
     26     -15.9677      1.00000
     27     -15.4145      1.00000
     28     -15.4097      1.00000
     29     -15.0969      1.00000
     30     -15.0940      1.00000
     31     -14.8560      1.00000
     32     -14.8483      1.00000
     33     -14.2914      1.00000
     34     -14.2587      1.00000
     35     -13.4379      1.00000
     36     -13.4055      1.00000
     37     -13.1785      1.00000
     38     -13.1747      1.00000
     39     -12.9824      1.00000
     40     -12.9775      1.00000
     41     -12.6142      1.00000
     42     -12.6105      1.00000
     43     -12.1991      1.00000
     44     -11.5768      1.00000
     45     -11.5433      1.00000
     46     -11.3110      1.00000
     47     -11.2884      1.00000
     48     -11.1435      1.00000
     49     -10.6764      1.00000
     50     -10.6620      1.00000
     51     -10.5512      1.00000
     52     -10.3249      1.00000
     53     -10.3184      1.00000
     54     -10.1697      1.00000
     55     -10.1167      1.00000
     56     -10.1135      1.00000
     57      -9.7981      1.00000
     58      -9.7665      1.00000
     59      -9.7523      1.00000
     60      -9.7008      1.00000
     61      -9.6989      1.00000
     62      -9.6619      1.00000
     63      -9.3563      1.00000
     64      -9.3521      1.00000
     65      -9.3161      1.00000
     66      -9.0406      1.00000
     67      -8.9640      1.00000
     68      -8.9497      1.00000
     69      -8.7993      1.00000
     70      -8.5950      1.00000
     71      -8.5582      1.00000
     72      -8.3981      1.00000
     73      -8.3653      1.00000
     74      -8.3256      1.00000
     75      -8.3081      1.00000
     76      -8.2601      1.00000
     77      -8.2584      1.00000
     78      -8.2372      1.00000
     79      -7.9055      1.00000
     80      -7.6508      1.00000
     81      -7.5478      1.00000
     82      -7.3883      1.00000
     83      -7.3512      1.00000
     84      -7.2332      1.00000
     85      -7.0973      1.00000
     86      -7.0395      1.00000
     87      -6.9345      1.00000
     88      -6.8494      1.00000
     89      -6.6136      1.00000
     90      -6.5611      1.00000
     91      -6.2708      1.00000
     92      -6.0437      1.00000
     93      -5.9522      1.00000
     94      -5.6631      1.00000
     95      -5.6236      1.00000
     96      -5.4626      1.00000
     97      -5.3202      1.00000
     98      -5.2796      1.00000
     99      -5.2147      1.00000
    100      -5.1950      1.00000
    101      -4.5062      1.00000
    102      -4.2056      1.00000
    103      -4.0587      1.00000
    104      -3.9902      1.00000
    105      -3.6946      1.00000
    106      -3.4951      1.00000
    107      -1.9477      0.00000
    108      -1.8987      0.00000
    109      -1.3401      0.00000
    110      -1.0871      0.00000
    111      -1.0600      0.00000
    112      -0.8026      0.00000
    113      -0.6794      0.00000
    114      -0.6490      0.00000
    115      -0.6095      0.00000
    116      -0.1115      0.00000
    117       0.2130      0.00000
    118       0.3259      0.00000
    119       0.6883      0.00000
    120       0.8825      0.00000
    121       1.1228      0.00000
    122       1.1964      0.00000
    123       1.3217      0.00000
    124       1.4103      0.00000
    125       1.5513      0.00000
    126       1.5735      0.00000
    127       1.6719      0.00000
    128       1.8122      0.00000
    129       1.8610      0.00000
    130       2.0319      0.00000
    131       2.0923      0.00000
    132       2.3023      0.00000
    133       2.3477      0.00000
    134       2.3832      0.00000
    135       2.5373      0.00000
    136       2.6224      0.00000
    137       2.7175      0.00000
    138       2.7324      0.00000
    139       2.7998      0.00000
    140       2.8730      0.00000
    141       3.0327      0.00000
    142       3.0464      0.00000
    143       3.1562      0.00000
    144       3.2525      0.00000
    145       3.3414      0.00000
    146       3.3980      0.00000
    147       3.4189      0.00000
    148       3.5597      0.00000
    149       3.5749      0.00000
    150       3.5852      0.00000
    151       3.6461      0.00000
    152       3.6601      0.00000
    153       3.7631      0.00000
    154       3.7720      0.00000
    155       3.7819      0.00000
    156       3.8647      0.00000
    157       3.9123      0.00000
    158       3.9722      0.00000
    159       4.2057      0.00000
    160       4.2132      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3176      1.00000
      2     -21.9628      1.00000
      3     -21.8942      1.00000
      4     -21.3811      1.00000
      5     -21.3521      1.00000
      6     -20.8399      1.00000
      7     -20.7751      1.00000
      8     -20.6246      1.00000
      9     -20.0779      1.00000
     10     -20.0724      1.00000
     11     -19.7173      1.00000
     12     -19.6930      1.00000
     13     -18.9969      1.00000
     14     -18.9912      1.00000
     15     -18.6411      1.00000
     16     -18.6252      1.00000
     17     -18.4629      1.00000
     18     -17.6758      1.00000
     19     -17.6259      1.00000
     20     -17.6230      1.00000
     21     -17.5815      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9630      1.00000
     25     -16.0028      1.00000
     26     -15.9294      1.00000
     27     -15.5865      1.00000
     28     -15.5863      1.00000
     29     -15.2874      1.00000
     30     -14.8650      1.00000
     31     -14.8379      1.00000
     32     -14.5800      1.00000
     33     -14.5385      1.00000
     34     -14.1690      1.00000
     35     -14.1556      1.00000
     36     -13.1496      1.00000
     37     -13.1013      1.00000
     38     -13.0311      1.00000
     39     -13.0210      1.00000
     40     -12.7103      1.00000
     41     -12.7063      1.00000
     42     -12.3419      1.00000
     43     -12.3108      1.00000
     44     -11.6365      1.00000
     45     -11.6230      1.00000
     46     -11.5723      1.00000
     47     -10.9499      1.00000
     48     -10.9171      1.00000
     49     -10.6319      1.00000
     50     -10.6262      1.00000
     51     -10.5474      1.00000
     52     -10.5003      1.00000
     53     -10.5001      1.00000
     54     -10.4417      1.00000
     55     -10.3621      1.00000
     56     -10.0987      1.00000
     57      -9.9037      1.00000
     58      -9.6102      1.00000
     59      -9.5583      1.00000
     60      -9.4527      1.00000
     61      -9.4128      1.00000
     62      -9.4055      1.00000
     63      -9.3791      1.00000
     64      -9.3788      1.00000
     65      -9.2871      1.00000
     66      -9.1693      1.00000
     67      -9.1441      1.00000
     68      -9.1151      1.00000
     69      -8.8652      1.00000
     70      -8.8580      1.00000
     71      -8.8150      1.00000
     72      -8.5973      1.00000
     73      -8.4801      1.00000
     74      -8.1996      1.00000
     75      -8.1643      1.00000
     76      -8.0093      1.00000
     77      -7.9616      1.00000
     78      -7.8528      1.00000
     79      -7.8425      1.00000
     80      -7.7063      1.00000
     81      -7.6986      1.00000
     82      -7.6232      1.00000
     83      -7.4484      1.00000
     84      -7.3019      1.00000
     85      -7.2530      1.00000
     86      -6.9077      1.00000
     87      -6.8940      1.00000
     88      -6.5892      1.00000
     89      -6.5520      1.00000
     90      -6.4092      1.00000
     91      -6.2541      1.00000
     92      -6.2340      1.00000
     93      -6.2060      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4890      1.00000
     97      -5.3500      1.00000
     98      -5.2206      1.00000
     99      -4.9806      1.00000
    100      -4.7319      1.00000
    101      -4.6784      1.00000
    102      -4.3871      1.00000
    103      -4.2009      1.00000
    104      -3.8696      1.00000
    105      -3.5480      1.00000
    106      -3.5066      1.00000
    107      -2.2581      0.00000
    108      -1.4578      0.00000
    109      -1.3732      0.00000
    110      -1.2437      0.00000
    111      -1.0996      0.00000
    112      -0.9472      0.00000
    113      -0.8661      0.00000
    114      -0.8057      0.00000
    115      -0.1432      0.00000
    116       0.1086      0.00000
    117       0.2389      0.00000
    118       0.3748      0.00000
    119       0.6457      0.00000
    120       0.8328      0.00000
    121       0.9339      0.00000
    122       1.0600      0.00000
    123       1.2237      0.00000
    124       1.4415      0.00000
    125       1.5461      0.00000
    126       1.7634      0.00000
    127       1.7853      0.00000
    128       1.8600      0.00000
    129       1.9509      0.00000
    130       2.0281      0.00000
    131       2.1637      0.00000
    132       2.1745      0.00000
    133       2.3999      0.00000
    134       2.4156      0.00000
    135       2.5154      0.00000
    136       2.6015      0.00000
    137       2.6322      0.00000
    138       2.6842      0.00000
    139       2.7629      0.00000
    140       2.8365      0.00000
    141       2.9399      0.00000
    142       3.0680      0.00000
    143       3.1851      0.00000
    144       3.1923      0.00000
    145       3.2287      0.00000
    146       3.2932      0.00000
    147       3.3019      0.00000
    148       3.4549      0.00000
    149       3.4839      0.00000
    150       3.6769      0.00000
    151       3.7039      0.00000
    152       3.7081      0.00000
    153       3.8512      0.00000
    154       3.9049      0.00000
    155       3.9370      0.00000
    156       3.9640      0.00000
    157       3.9930      0.00000
    158       4.0238      0.00000
    159       4.0368      0.00000
    160       4.0620      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2103      1.00000
      2     -22.1181      1.00000
      3     -21.9572      1.00000
      4     -21.4048      1.00000
      5     -21.0500      1.00000
      6     -21.0145      1.00000
      7     -20.5009      1.00000
      8     -20.4619      1.00000
      9     -20.2955      1.00000
     10     -20.2764      1.00000
     11     -19.9579      1.00000
     12     -19.8925      1.00000
     13     -18.8829      1.00000
     14     -18.8145      1.00000
     15     -18.3534      1.00000
     16     -18.3075      1.00000
     17     -18.1538      1.00000
     18     -18.1368      1.00000
     19     -17.8274      1.00000
     20     -17.7901      1.00000
     21     -17.2527      1.00000
     22     -17.2427      1.00000
     23     -17.1659      1.00000
     24     -17.1338      1.00000
     25     -16.1108      1.00000
     26     -15.8858      1.00000
     27     -15.8709      1.00000
     28     -15.8353      1.00000
     29     -15.2377      1.00000
     30     -14.5558      1.00000
     31     -14.5281      1.00000
     32     -14.2814      1.00000
     33     -13.9652      1.00000
     34     -13.9576      1.00000
     35     -13.8218      1.00000
     36     -13.8059      1.00000
     37     -13.6156      1.00000
     38     -13.5720      1.00000
     39     -13.3705      1.00000
     40     -12.6353      1.00000
     41     -12.1819      1.00000
     42     -12.1342      1.00000
     43     -12.0726      1.00000
     44     -12.0204      1.00000
     45     -11.6711      1.00000
     46     -11.6578      1.00000
     47     -11.1399      1.00000
     48     -11.1197      1.00000
     49     -10.7953      1.00000
     50     -10.7319      1.00000
     51     -10.5261      1.00000
     52     -10.2105      1.00000
     53     -10.2064      1.00000
     54     -10.1648      1.00000
     55     -10.0192      1.00000
     56     -10.0047      1.00000
     57      -9.9915      1.00000
     58      -9.8027      1.00000
     59      -9.7991      1.00000
     60      -9.7640      1.00000
     61      -9.7593      1.00000
     62      -9.4553      1.00000
     63      -9.4169      1.00000
     64      -9.0801      1.00000
     65      -9.0739      1.00000
     66      -9.0424      1.00000
     67      -8.9564      1.00000
     68      -8.8773      1.00000
     69      -8.7138      1.00000
     70      -8.7014      1.00000
     71      -8.5667      1.00000
     72      -8.5440      1.00000
     73      -8.4990      1.00000
     74      -8.4646      1.00000
     75      -8.4541      1.00000
     76      -8.2600      1.00000
     77      -8.1257      1.00000
     78      -8.0435      1.00000
     79      -7.9176      1.00000
     80      -7.8628      1.00000
     81      -7.6157      1.00000
     82      -7.5496      1.00000
     83      -7.4909      1.00000
     84      -7.2679      1.00000
     85      -6.9974      1.00000
     86      -6.9255      1.00000
     87      -6.8844      1.00000
     88      -6.5339      1.00000
     89      -6.4884      1.00000
     90      -6.4617      1.00000
     91      -6.4110      1.00000
     92      -5.9838      1.00000
     93      -5.8978      1.00000
     94      -5.7852      1.00000
     95      -5.7605      1.00000
     96      -5.4317      1.00000
     97      -5.3296      1.00000
     98      -5.2310      1.00000
     99      -5.2184      1.00000
    100      -5.1896      1.00000
    101      -4.6919      1.00000
    102      -4.4207      1.00000
    103      -4.2073      1.00000
    104      -3.8325      1.00000
    105      -3.5258      1.00000
    106      -3.2759      1.00000
    107      -2.5331      0.00000
    108      -1.4592      0.00000
    109      -1.2688      0.00000
    110      -1.2049      0.00000
    111      -1.1742      0.00000
    112      -0.7222      0.00000
    113      -0.5059      0.00000
    114      -0.4145      0.00000
    115      -0.3414      0.00000
    116      -0.1485      0.00000
    117      -0.0054      0.00000
    118       0.1904      0.00000
    119       0.5585      0.00000
    120       0.6098      0.00000
    121       0.7900      0.00000
    122       0.9031      0.00000
    123       1.1245      0.00000
    124       1.4828      0.00000
    125       1.6385      0.00000
    126       1.8308      0.00000
    127       1.9186      0.00000
    128       2.0897      0.00000
    129       2.1041      0.00000
    130       2.1105      0.00000
    131       2.1759      0.00000
    132       2.2767      0.00000
    133       2.3083      0.00000
    134       2.4653      0.00000
    135       2.5650      0.00000
    136       2.6511      0.00000
    137       2.8440      0.00000
    138       2.8667      0.00000
    139       2.8869      0.00000
    140       2.9874      0.00000
    141       3.0230      0.00000
    142       3.1342      0.00000
    143       3.1607      0.00000
    144       3.2184      0.00000
    145       3.2682      0.00000
    146       3.2779      0.00000
    147       3.2945      0.00000
    148       3.3389      0.00000
    149       3.3992      0.00000
    150       3.4242      0.00000
    151       3.5177      0.00000
    152       3.6070      0.00000
    153       3.6800      0.00000
    154       3.7025      0.00000
    155       3.7647      0.00000
    156       3.8874      0.00000
    157       3.9248      0.00000
    158       3.9946      0.00000
    159       4.1113      0.00000
    160       4.2234      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3174      1.00000
      2     -21.9644      1.00000
      3     -21.8927      1.00000
      4     -21.3848      1.00000
      5     -21.3487      1.00000
      6     -20.8397      1.00000
      7     -20.7737      1.00000
      8     -20.6254      1.00000
      9     -20.0899      1.00000
     10     -20.0615      1.00000
     11     -19.7189      1.00000
     12     -19.6903      1.00000
     13     -19.0102      1.00000
     14     -18.9795      1.00000
     15     -18.6504      1.00000
     16     -18.6179      1.00000
     17     -18.4613      1.00000
     18     -17.6611      1.00000
     19     -17.6474      1.00000
     20     -17.6114      1.00000
     21     -17.5788      1.00000
     22     -17.1379      1.00000
     23     -17.0983      1.00000
     24     -16.9669      1.00000
     25     -16.0092      1.00000
     26     -15.9238      1.00000
     27     -15.5993      1.00000
     28     -15.5761      1.00000
     29     -15.2809      1.00000
     30     -14.8773      1.00000
     31     -14.8307      1.00000
     32     -14.5756      1.00000
     33     -14.5379      1.00000
     34     -14.1650      1.00000
     35     -14.1608      1.00000
     36     -13.1631      1.00000
     37     -13.0965      1.00000
     38     -13.0240      1.00000
     39     -13.0196      1.00000
     40     -12.7187      1.00000
     41     -12.6957      1.00000
     42     -12.3414      1.00000
     43     -12.3143      1.00000
     44     -11.6329      1.00000
     45     -11.6239      1.00000
     46     -11.5711      1.00000
     47     -10.9418      1.00000
     48     -10.9239      1.00000
     49     -10.6679      1.00000
     50     -10.5910      1.00000
     51     -10.5735      1.00000
     52     -10.5023      1.00000
     53     -10.4892      1.00000
     54     -10.4402      1.00000
     55     -10.3569      1.00000
     56     -10.1032      1.00000
     57      -9.8979      1.00000
     58      -9.6093      1.00000
     59      -9.5521      1.00000
     60      -9.4537      1.00000
     61      -9.4198      1.00000
     62      -9.4101      1.00000
     63      -9.3806      1.00000
     64      -9.3730      1.00000
     65      -9.2677      1.00000
     66      -9.1668      1.00000
     67      -9.1428      1.00000
     68      -9.1172      1.00000
     69      -8.8673      1.00000
     70      -8.8614      1.00000
     71      -8.8022      1.00000
     72      -8.5965      1.00000
     73      -8.5260      1.00000
     74      -8.1947      1.00000
     75      -8.1720      1.00000
     76      -8.0761      1.00000
     77      -7.8589      1.00000
     78      -7.8382      1.00000
     79      -7.8231      1.00000
     80      -7.7116      1.00000
     81      -7.6975      1.00000
     82      -7.5986      1.00000
     83      -7.5286      1.00000
     84      -7.3511      1.00000
     85      -7.1686      1.00000
     86      -6.9070      1.00000
     87      -6.8973      1.00000
     88      -6.5931      1.00000
     89      -6.5522      1.00000
     90      -6.4072      1.00000
     91      -6.3029      1.00000
     92      -6.2481      1.00000
     93      -6.2029      1.00000
     94      -6.0045      1.00000
     95      -5.5318      1.00000
     96      -5.4664      1.00000
     97      -5.3145      1.00000
     98      -5.2105      1.00000
     99      -5.0465      1.00000
    100      -4.7235      1.00000
    101      -4.6719      1.00000
    102      -4.4227      1.00000
    103      -4.1931      1.00000
    104      -3.8413      1.00000
    105      -3.6336      1.00000
    106      -3.4157      1.00000
    107      -2.2944      0.00000
    108      -1.5108      0.00000
    109      -1.2721      0.00000
    110      -1.2646      0.00000
    111      -1.0362      0.00000
    112      -0.9796      0.00000
    113      -0.8701      0.00000
    114      -0.8017      0.00000
    115      -0.2647      0.00000
    116       0.2017      0.00000
    117       0.2370      0.00000
    118       0.3567      0.00000
    119       0.6856      0.00000
    120       0.8912      0.00000
    121       0.9206      0.00000
    122       1.0357      0.00000
    123       1.1611      0.00000
    124       1.5043      0.00000
    125       1.5460      0.00000
    126       1.7012      0.00000
    127       1.7759      0.00000
    128       1.8253      0.00000
    129       1.9459      0.00000
    130       1.9702      0.00000
    131       2.1634      0.00000
    132       2.2550      0.00000
    133       2.3993      0.00000
    134       2.4179      0.00000
    135       2.5202      0.00000
    136       2.5961      0.00000
    137       2.6154      0.00000
    138       2.6903      0.00000
    139       2.7454      0.00000
    140       2.8547      0.00000
    141       3.0296      0.00000
    142       3.0618      0.00000
    143       3.1804      0.00000
    144       3.2138      0.00000
    145       3.2327      0.00000
    146       3.2824      0.00000
    147       3.3230      0.00000
    148       3.4329      0.00000
    149       3.5086      0.00000
    150       3.6894      0.00000
    151       3.7077      0.00000
    152       3.7149      0.00000
    153       3.8186      0.00000
    154       3.8807      0.00000
    155       3.9121      0.00000
    156       3.9745      0.00000
    157       3.9867      0.00000
    158       4.0225      0.00000
    159       4.0508      0.00000
    160       4.0882      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3896      1.00000
      2     -21.8308      1.00000
      3     -21.6416      1.00000
      4     -21.6069      1.00000
      5     -21.2790      1.00000
      6     -21.2323      1.00000
      7     -21.0569      1.00000
      8     -20.1716      1.00000
      9     -20.1259      1.00000
     10     -19.6174      1.00000
     11     -19.5913      1.00000
     12     -19.4161      1.00000
     13     -19.0949      1.00000
     14     -19.0566      1.00000
     15     -19.0523      1.00000
     16     -19.0394      1.00000
     17     -18.3675      1.00000
     18     -18.3477      1.00000
     19     -18.0172      1.00000
     20     -17.0727      1.00000
     21     -17.0245      1.00000
     22     -16.9506      1.00000
     23     -16.9367      1.00000
     24     -16.4757      1.00000
     25     -16.4640      1.00000
     26     -15.6103      1.00000
     27     -15.6098      1.00000
     28     -15.2508      1.00000
     29     -15.2386      1.00000
     30     -15.1917      1.00000
     31     -15.1018      1.00000
     32     -15.0689      1.00000
     33     -14.6994      1.00000
     34     -14.6983      1.00000
     35     -13.7261      1.00000
     36     -13.7259      1.00000
     37     -13.2357      1.00000
     38     -12.6248      1.00000
     39     -12.5810      1.00000
     40     -12.4551      1.00000
     41     -12.4497      1.00000
     42     -12.1066      1.00000
     43     -12.1015      1.00000
     44     -11.7227      1.00000
     45     -11.6844      1.00000
     46     -11.2464      1.00000
     47     -11.2260      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9288      1.00000
     51     -10.9004      1.00000
     52     -10.6349      1.00000
     53     -10.1726      1.00000
     54     -10.1500      1.00000
     55     -10.0855      1.00000
     56      -9.9909      1.00000
     57      -9.6971      1.00000
     58      -9.6902      1.00000
     59      -9.6708      1.00000
     60      -9.5934      1.00000
     61      -9.5691      1.00000
     62      -9.5534      1.00000
     63      -9.3134      1.00000
     64      -9.3008      1.00000
     65      -9.2827      1.00000
     66      -9.2449      1.00000
     67      -9.1227      1.00000
     68      -9.1132      1.00000
     69      -9.1114      1.00000
     70      -8.9396      1.00000
     71      -8.8773      1.00000
     72      -8.6067      1.00000
     73      -8.5882      1.00000
     74      -8.2701      1.00000
     75      -8.1021      1.00000
     76      -7.8698      1.00000
     77      -7.8440      1.00000
     78      -7.7901      1.00000
     79      -7.7654      1.00000
     80      -7.7567      1.00000
     81      -7.4457      1.00000
     82      -7.3356      1.00000
     83      -7.3239      1.00000
     84      -7.2662      1.00000
     85      -7.1640      1.00000
     86      -7.0174      1.00000
     87      -6.9873      1.00000
     88      -6.7179      1.00000
     89      -6.6916      1.00000
     90      -6.6322      1.00000
     91      -6.5917      1.00000
     92      -6.1183      1.00000
     93      -6.0609      1.00000
     94      -6.0452      1.00000
     95      -6.0297      1.00000
     96      -5.7490      1.00000
     97      -4.9734      1.00000
     98      -4.8394      1.00000
     99      -4.7101      1.00000
    100      -4.6745      1.00000
    101      -4.4830      1.00000
    102      -4.3493      1.00000
    103      -4.1123      1.00000
    104      -4.0558      1.00000
    105      -3.7547      1.00000
    106      -3.4630      1.00000
    107      -1.9521      0.00000
    108      -1.7733      0.00000
    109      -1.4821      0.00000
    110      -1.3574      0.00000
    111      -1.3380      0.00000
    112      -1.2941      0.00000
    113      -0.6805      0.00000
    114      -0.4739      0.00000
    115      -0.2377      0.00000
    116       0.0478      0.00000
    117       0.5817      0.00000
    118       0.6900      0.00000
    119       0.7667      0.00000
    120       1.0185      0.00000
    121       1.0948      0.00000
    122       1.1738      0.00000
    123       1.2470      0.00000
    124       1.3330      0.00000
    125       1.4193      0.00000
    126       1.5803      0.00000
    127       1.7541      0.00000
    128       1.8374      0.00000
    129       1.8549      0.00000
    130       1.8816      0.00000
    131       2.0251      0.00000
    132       2.2037      0.00000
    133       2.2301      0.00000
    134       2.2683      0.00000
    135       2.4695      0.00000
    136       2.6045      0.00000
    137       2.6253      0.00000
    138       2.7351      0.00000
    139       2.7606      0.00000
    140       2.8319      0.00000
    141       2.8376      0.00000
    142       2.8511      0.00000
    143       2.9309      0.00000
    144       3.0606      0.00000
    145       3.2775      0.00000
    146       3.3468      0.00000
    147       3.3858      0.00000
    148       3.4004      0.00000
    149       3.4135      0.00000
    150       3.5620      0.00000
    151       3.6169      0.00000
    152       3.6672      0.00000
    153       3.7185      0.00000
    154       3.8869      0.00000
    155       3.9019      0.00000
    156       3.9326      0.00000
    157       4.0858      0.00000
    158       4.1824      0.00000
    159       4.2505      0.00000
    160       4.2868      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2093      1.00000
      2     -22.1195      1.00000
      3     -21.9569      1.00000
      4     -21.4049      1.00000
      5     -21.0462      1.00000
      6     -21.0182      1.00000
      7     -20.4962      1.00000
      8     -20.4666      1.00000
      9     -20.2866      1.00000
     10     -20.2846      1.00000
     11     -19.9569      1.00000
     12     -19.8943      1.00000
     13     -18.8836      1.00000
     14     -18.8167      1.00000
     15     -18.3381      1.00000
     16     -18.3190      1.00000
     17     -18.1497      1.00000
     18     -18.1422      1.00000
     19     -17.8163      1.00000
     20     -17.7983      1.00000
     21     -17.2588      1.00000
     22     -17.2395      1.00000
     23     -17.1611      1.00000
     24     -17.1364      1.00000
     25     -16.1163      1.00000
     26     -15.8812      1.00000
     27     -15.8702      1.00000
     28     -15.8415      1.00000
     29     -15.2320      1.00000
     30     -14.5518      1.00000
     31     -14.5336      1.00000
     32     -14.2769      1.00000
     33     -13.9753      1.00000
     34     -13.9518      1.00000
     35     -13.8254      1.00000
     36     -13.8035      1.00000
     37     -13.6051      1.00000
     38     -13.5799      1.00000
     39     -13.3704      1.00000
     40     -12.6388      1.00000
     41     -12.1701      1.00000
     42     -12.1438      1.00000
     43     -12.0688      1.00000
     44     -12.0223      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1379      1.00000
     48     -11.1272      1.00000
     49     -10.7916      1.00000
     50     -10.7359      1.00000
     51     -10.5328      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1705      1.00000
     55     -10.0230      1.00000
     56      -9.9943      1.00000
     57      -9.9909      1.00000
     58      -9.8060      1.00000
     59      -9.7967      1.00000
     60      -9.7661      1.00000
     61      -9.7582      1.00000
     62      -9.4561      1.00000
     63      -9.4167      1.00000
     64      -9.0848      1.00000
     65      -9.0467      1.00000
     66      -9.0259      1.00000
     67      -8.9718      1.00000
     68      -8.8973      1.00000
     69      -8.7089      1.00000
     70      -8.7000      1.00000
     71      -8.5620      1.00000
     72      -8.5511      1.00000
     73      -8.4781      1.00000
     74      -8.4611      1.00000
     75      -8.4576      1.00000
     76      -8.3073      1.00000
     77      -8.0948      1.00000
     78      -8.0898      1.00000
     79      -7.9275      1.00000
     80      -7.8319      1.00000
     81      -7.6012      1.00000
     82      -7.5394      1.00000
     83      -7.4455      1.00000
     84      -7.3132      1.00000
     85      -6.9943      1.00000
     86      -6.9205      1.00000
     87      -6.8827      1.00000
     88      -6.5303      1.00000
     89      -6.5162      1.00000
     90      -6.4823      1.00000
     91      -6.4212      1.00000
     92      -5.9271      1.00000
     93      -5.9061      1.00000
     94      -5.7896      1.00000
     95      -5.7753      1.00000
     96      -5.3698      1.00000
     97      -5.3631      1.00000
     98      -5.2215      1.00000
     99      -5.2163      1.00000
    100      -5.1993      1.00000
    101      -4.7199      1.00000
    102      -4.4406      1.00000
    103      -4.1893      1.00000
    104      -3.8188      1.00000
    105      -3.5624      1.00000
    106      -3.2230      1.00000
    107      -2.5645      0.00000
    108      -1.4644      0.00000
    109      -1.2689      0.00000
    110      -1.1875      0.00000
    111      -1.1858      0.00000
    112      -0.6472      0.00000
    113      -0.5538      0.00000
    114      -0.4170      0.00000
    115      -0.3498      0.00000
    116      -0.0803      0.00000
    117      -0.0655      0.00000
    118       0.1234      0.00000
    119       0.5904      0.00000
    120       0.6233      0.00000
    121       0.8520      0.00000
    122       0.9755      0.00000
    123       0.9989      0.00000
    124       1.4903      0.00000
    125       1.6785      0.00000
    126       1.7421      0.00000
    127       1.8503      0.00000
    128       2.1007      0.00000
    129       2.1065      0.00000
    130       2.1733      0.00000
    131       2.2069      0.00000
    132       2.2435      0.00000
    133       2.3294      0.00000
    134       2.4887      0.00000
    135       2.5005      0.00000
    136       2.6551      0.00000
    137       2.8500      0.00000
    138       2.8571      0.00000
    139       2.9459      0.00000
    140       2.9807      0.00000
    141       3.0270      0.00000
    142       3.1296      0.00000
    143       3.1744      0.00000
    144       3.2331      0.00000
    145       3.2365      0.00000
    146       3.2735      0.00000
    147       3.2950      0.00000
    148       3.3474      0.00000
    149       3.3784      0.00000
    150       3.5358      0.00000
    151       3.5506      0.00000
    152       3.6351      0.00000
    153       3.6405      0.00000
    154       3.6762      0.00000
    155       3.6997      0.00000
    156       3.8883      0.00000
    157       3.9326      0.00000
    158       4.0313      0.00000
    159       4.0569      0.00000
    160       4.1625      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2831      1.00000
      2     -22.0789      1.00000
      3     -21.7203      1.00000
      4     -21.6815      1.00000
      5     -20.9829      1.00000
      6     -20.9356      1.00000
      7     -20.6115      1.00000
      8     -20.5795      1.00000
      9     -20.5662      1.00000
     10     -20.0326      1.00000
     11     -19.5137      1.00000
     12     -19.4839      1.00000
     13     -19.3121      1.00000
     14     -19.2990      1.00000
     15     -18.4499      1.00000
     16     -18.4072      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7662      1.00000
     20     -17.7217      1.00000
     21     -17.4424      1.00000
     22     -17.4239      1.00000
     23     -17.3389      1.00000
     24     -16.4718      1.00000
     25     -16.4618      1.00000
     26     -15.9704      1.00000
     27     -15.4118      1.00000
     28     -15.4108      1.00000
     29     -15.0968      1.00000
     30     -15.0939      1.00000
     31     -14.8543      1.00000
     32     -14.8419      1.00000
     33     -14.2982      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4012      1.00000
     37     -13.1763      1.00000
     38     -13.1748      1.00000
     39     -12.9857      1.00000
     40     -12.9767      1.00000
     41     -12.6120      1.00000
     42     -12.6098      1.00000
     43     -12.1973      1.00000
     44     -11.5806      1.00000
     45     -11.5398      1.00000
     46     -11.3146      1.00000
     47     -11.2845      1.00000
     48     -11.1424      1.00000
     49     -10.6926      1.00000
     50     -10.6645      1.00000
     51     -10.5456      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1759      1.00000
     55     -10.1229      1.00000
     56     -10.1092      1.00000
     57      -9.8109      1.00000
     58      -9.7527      1.00000
     59      -9.7526      1.00000
     60      -9.7029      1.00000
     61      -9.6992      1.00000
     62      -9.6468      1.00000
     63      -9.3532      1.00000
     64      -9.3519      1.00000
     65      -9.3198      1.00000
     66      -9.0273      1.00000
     67      -8.9624      1.00000
     68      -8.9584      1.00000
     69      -8.7756      1.00000
     70      -8.5937      1.00000
     71      -8.5871      1.00000
     72      -8.4235      1.00000
     73      -8.3500      1.00000
     74      -8.3237      1.00000
     75      -8.3034      1.00000
     76      -8.2675      1.00000
     77      -8.2561      1.00000
     78      -8.2414      1.00000
     79      -7.9220      1.00000
     80      -7.7342      1.00000
     81      -7.3801      1.00000
     82      -7.3506      1.00000
     83      -7.3222      1.00000
     84      -7.2182      1.00000
     85      -7.1601      1.00000
     86      -7.0666      1.00000
     87      -6.9610      1.00000
     88      -6.9063      1.00000
     89      -6.6161      1.00000
     90      -6.5572      1.00000
     91      -6.2739      1.00000
     92      -5.9971      1.00000
     93      -5.9599      1.00000
     94      -5.6756      1.00000
     95      -5.6487      1.00000
     96      -5.3880      1.00000
     97      -5.3159      1.00000
     98      -5.2943      1.00000
     99      -5.2129      1.00000
    100      -5.2011      1.00000
    101      -4.5099      1.00000
    102      -4.3354      1.00000
    103      -3.9965      1.00000
    104      -3.8865      1.00000
    105      -3.7924      1.00000
    106      -3.4414      1.00000
    107      -2.0361      0.00000
    108      -1.8656      0.00000
    109      -1.2193      0.00000
    110      -1.1858      0.00000
    111      -1.0379      0.00000
    112      -0.7745      0.00000
    113      -0.6797      0.00000
    114      -0.6619      0.00000
    115      -0.6114      0.00000
    116      -0.1055      0.00000
    117       0.2206      0.00000
    118       0.2369      0.00000
    119       0.7646      0.00000
    120       0.9780      0.00000
    121       1.0715      0.00000
    122       1.2366      0.00000
    123       1.2478      0.00000
    124       1.3330      0.00000
    125       1.5706      0.00000
    126       1.5820      0.00000
    127       1.6867      0.00000
    128       1.7970      0.00000
    129       1.9372      0.00000
    130       1.9407      0.00000
    131       2.0488      0.00000
    132       2.2663      0.00000
    133       2.3364      0.00000
    134       2.4131      0.00000
    135       2.5248      0.00000
    136       2.6269      0.00000
    137       2.7444      0.00000
    138       2.7951      0.00000
    139       2.8353      0.00000
    140       2.8579      0.00000
    141       3.0306      0.00000
    142       3.0942      0.00000
    143       3.1403      0.00000
    144       3.2066      0.00000
    145       3.3468      0.00000
    146       3.3993      0.00000
    147       3.4947      0.00000
    148       3.5217      0.00000
    149       3.5828      0.00000
    150       3.6059      0.00000
    151       3.6185      0.00000
    152       3.7276      0.00000
    153       3.7293      0.00000
    154       3.7570      0.00000
    155       3.7958      0.00000
    156       3.8505      0.00000
    157       3.9990      0.00000
    158       4.0805      0.00000
    159       4.1627      0.00000
    160       4.1821      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0426   -7.3915    4.1991   -1.2757   -0.2386   17.5955    0.1462   -0.5320    0.6338   -0.4651
x    -3.0919   -0.0374   -0.0631    0.0618   -0.0095   -2.9776   -0.0107   -0.0071    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0426    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0943   -0.0088    0.0374    0.0378
y    -0.0458   -3.2471   -0.5376   -0.1637   -1.1818   -0.6055
z   204.0426    1.1128   -0.2988    0.0466    0.0115    0.0799   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1107    0.0006    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7501
z    -0.2339    0.2172   -0.0489    0.0508   -0.0945    0.0011
 total charge-density along one line
x   212.0000  -10.2213    6.1474   -2.0857   -0.4744   19.5129   -0.9976    0.4751   -0.0453   -0.1259
x    -2.6450   -0.0276   -0.0610    0.0846   -0.0534   -2.2248   -0.0247   -0.0026    0.0052    0.0021
x    -0.0896    0.0060   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2213    6.1474   -2.0857   -0.4744   19.5129   -0.9976    0.4751   -0.0453   -0.1259
y    -2.6450   -0.0276   -0.0610    0.0846   -0.0534   -2.2248   -0.0247   -0.0026    0.0052    0.0021
y    -0.0896    0.0060   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3948  189.0753 -170.3002  154.0297 -140.2937  126.5421 -111.2341   94.9837  -79.2589
z    64.9427  -52.1907   41.0849  -31.9395   24.9567  -19.8244   15.8187  -12.3038    9.0977   -6.3857
z     4.3585   -2.9684    1.9858   -1.2100    0.5875   -0.1507   -0.1027    0.2488   -0.3717    0.4911
z    -0.5660    0.5592   -0.4864    0.4019   -0.3478    0.3234   -0.3014    0.2626   -0.2126    0.1687
z    -0.1398    0.1212   -0.1035    0.0836   -0.0655    0.0534   -0.0467    0.0416   -0.0356    0.0289
z    -0.0236    0.0202   -0.0179    0.0154   -0.0127    0.0101   -0.0080    0.0062   -0.0047    0.0034
z    -0.0024    0.0016   -0.0008    0.0000    0.0006   -0.0007    0.0007   -0.0006    0.0007   -0.0008
z     0.0007   -0.0004    0.0001    0.0000   -0.0001    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0003   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.101   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.101   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.057   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.213   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.301   0.000   0.028  -0.191  -0.030   0.000   0.095   0.000   0.000
  0.000   0.213   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.057   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.301   0.000   0.037  -0.131   0.000   0.412   0.000   0.077   0.584  -0.237   0.000   0.059   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.070   0.007
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.584   0.000   0.164   1.369  -0.419   0.000   0.284   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.237   0.000  -0.047  -0.419   0.175   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.094   0.000   0.059   0.000   0.053   0.284  -0.035   0.000   0.262   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.070   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.260   8.030   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.645
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.419   8.030 142.316
 


 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  117.13: CPU time   59.24
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  460.90: CPU time  231.27
    STRESS:  VPU time 1350.26: CPU time  679.45
    FORCOR:  VPU time    8.54: CPU time    8.54
    FORHAR:  VPU time    2.26: CPU time    2.26
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force =-0.6289306E-06[-0.366E-05, 0.240E-05]  d Energy = 0.9394003E-05-0.100E-04
 d Force =-0.5926254E-01[-0.593E-01,-0.593E-01]  d Ewald  =-0.8039494E+00 0.745E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.727074 eV

  energy  without entropy=     -471.727074  energy(sigma->0) =     -471.727074
 

  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    40822.50  40779.08 -47521.47    -37.61      0.00      0.00
  Hartree  40247.59  40229.99 -39506.85    -15.25      0.00      0.00
  E(xc)     -779.41   -779.69   -807.34     -0.25      0.00      0.00
  Local   -83354.21 -83302.13  84343.19     45.10      0.00      0.00
  n-local   -216.81   -215.67   -203.45      0.72      0.00      0.00
  augment     20.06     22.05     17.82      1.73      0.00      0.00
  Kinetic   3162.27   3175.85   3583.94      3.42      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.35     -0.33     -0.22      0.01      0.00      0.00
  in kB       -0.21     -0.20     -0.14      0.01      0.00      0.00
  external pressure =       -0.18 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
    12.346300726  0.000964244  0.000000000     0.080992270  0.046752544  0.000000000
    -6.172321945 10.692687975  0.000000000    -0.000007304  0.093517638  0.000000000
     0.000000000  0.000000000 19.982123724     0.000000000  0.000000000  0.050044731

  length of vectors
    12.346300763 12.346300431 19.982123724     0.093517635  0.093517638  0.050044731


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.461E-05 -.493E-04 -.951E+03   0.435E-05 -.277E-04 0.959E+03   -.212E-21 0.423E-21 -.868E+01   -.106E-07 0.502E-08 -.171E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.570E-05 0.264E-05 0.151E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.570E-05 -.264E-05 0.151E-03
   -.206E+01 0.119E+01 0.146E+02   0.206E+01 -.119E+01 -.146E+02   -.135E-02 0.780E-03 -.300E-01   0.752E-03 -.437E-03 0.635E-03
   0.617E+01 0.685E+01 0.178E+02   -.617E+01 -.687E+01 -.178E+02   0.148E-02 0.206E-01 -.320E-01   -.111E-02 0.180E-02 0.642E-03
   0.112E+02 0.510E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.218E-01 0.728E-02 -.510E-01   -.746E-03 -.110E-02 0.230E-03
   0.470E+01 -.885E+00 0.135E+02   -.471E+01 0.893E+00 -.135E+02   0.163E-01 -.809E-02 -.174E-01   -.126E-03 -.418E-04 -.443E-04
   -.308E+01 -.252E+01 0.125E+02   0.308E+01 0.252E+01 -.125E+02   0.483E-03 0.125E-02 -.157E-01   -.485E-03 -.348E-03 0.254E-03
   0.643E+00 0.393E+01 0.125E+02   -.641E+00 -.393E+01 -.125E+02   -.839E-03 -.104E-02 -.157E-01   0.550E-04 0.589E-03 0.251E-03
   0.243E+01 0.188E+02 0.234E+02   -.243E+01 -.189E+02 -.234E+02   -.216E-03 0.102E+00 -.461E-01   -.159E-02 -.259E-02 0.354E-03
   0.226E+02 0.214E+02 0.419E+02   -.227E+02 -.216E+02 -.418E+02   0.797E-01 0.259E+00 -.621E-01   0.195E-02 -.742E-03 0.152E-04
   0.267E+02 -.343E+01 0.264E+02   -.270E+02 0.353E+01 -.264E+02   0.268E+00 -.108E+00 -.317E-01   -.126E-02 -.182E-03 -.227E-03
   0.911E+01 -.526E+01 0.145E+02   -.915E+01 0.528E+01 -.145E+02   0.429E-01 -.248E-01 -.125E-01   -.612E-03 0.348E-03 0.395E-04
   0.311E+01 -.363E+01 0.135E+02   -.313E+01 0.363E+01 -.135E+02   0.152E-01 -.101E-01 -.174E-01   -.289E-04 0.127E-03 -.509E-04
   -.591E+01 0.136E+02 0.169E+02   0.592E+01 -.137E+02 -.169E+02   -.122E-03 0.709E-01 -.470E-01   0.515E-03 0.199E-03 -.372E-04
   -.118E+02 0.360E+02 0.478E+02   0.119E+02 -.367E+02 -.481E+02   -.283E-01 0.607E+00 0.296E+00   -.274E-03 -.115E-04 -.329E-03
   0.235E+02 -.136E+02 0.930E+02   -.242E+02 0.140E+02 -.950E+02   0.634E+00 -.366E+00 0.203E+01   -.913E-03 0.525E-03 -.139E-03
   0.163E+02 -.214E+02 0.264E+02   -.165E+02 0.216E+02 -.264E+02   0.228E+00 -.178E+00 -.317E-01   -.475E-03 0.118E-02 -.231E-03
   0.117E+01 -.122E+02 0.161E+02   -.118E+01 0.122E+02 -.161E+02   0.458E-02 -.225E-01 -.510E-01   0.582E-03 0.119E-02 0.226E-03
   -.413E+01 0.192E+01 0.123E+02   0.413E+01 -.193E+01 -.123E+02   0.155E-02 0.879E-02 -.421E-01   0.322E-03 -.995E-04 0.478E-04
   -.192E+02 0.111E+02 0.228E+02   0.192E+02 -.111E+02 -.228E+02   -.499E-01 0.288E-01 -.362E-01   0.499E-03 -.285E-03 -.137E-03
   -.371E+02 -.779E+01 0.478E+02   0.377E+02 0.807E+01 -.481E+02   -.540E+00 -.279E+00 0.296E+00   -.125E-03 0.242E-03 -.326E-03
   -.719E+01 -.302E+02 0.419E+02   0.738E+01 0.304E+02 -.418E+02   -.185E+00 -.199E+00 -.621E-01   0.162E-02 -.132E-02 0.137E-04
   -.284E+01 -.877E+01 0.178E+02   0.286E+01 0.877E+01 -.178E+02   -.171E-01 -.116E-01 -.320E-01   -.211E-02 0.625E-04 0.641E-03
   0.138E+01 -.796E+00 0.127E+02   -.138E+01 0.797E+00 -.127E+02   0.229E-02 -.132E-02 -.227E-01   0.950E-03 -.547E-03 0.394E-03
   -.373E+01 0.262E+01 0.123E+02   0.374E+01 -.262E+01 -.123E+02   -.684E-02 -.574E-02 -.421E-01   0.248E-03 -.226E-03 0.515E-04
   -.147E+02 -.167E+01 0.169E+02   0.148E+02 0.170E+01 -.169E+02   -.615E-01 -.354E-01 -.470E-01   0.862E-04 -.547E-03 -.312E-04
   -.151E+02 -.115E+02 0.234E+02   0.152E+02 0.116E+02 -.234E+02   -.883E-01 -.507E-01 -.461E-01   0.145E-02 0.266E-02 0.357E-03
   0.284E+01 0.877E+01 0.178E+02   -.286E+01 -.877E+01 -.178E+02   0.171E-01 0.116E-01 -.320E-01   0.211E-02 -.624E-04 0.641E-03
   0.151E+02 0.115E+02 0.234E+02   -.152E+02 -.116E+02 -.234E+02   0.883E-01 0.507E-01 -.461E-01   -.145E-02 -.266E-02 0.357E-03
   0.147E+02 0.167E+01 0.169E+02   -.148E+02 -.170E+01 -.169E+02   0.615E-01 0.354E-01 -.470E-01   -.862E-04 0.547E-03 -.312E-04
   0.373E+01 -.262E+01 0.123E+02   -.374E+01 0.262E+01 -.123E+02   0.684E-02 0.574E-02 -.421E-01   -.248E-03 0.226E-03 0.515E-04
   -.138E+01 0.796E+00 0.127E+02   0.138E+01 -.797E+00 -.127E+02   -.229E-02 0.132E-02 -.227E-01   -.950E-03 0.547E-03 0.394E-03
   -.117E+01 0.122E+02 0.161E+02   0.118E+01 -.122E+02 -.161E+02   -.458E-02 0.225E-01 -.510E-01   -.582E-03 -.119E-02 0.226E-03
   0.719E+01 0.302E+02 0.419E+02   -.738E+01 -.304E+02 -.418E+02   0.185E+00 0.199E+00 -.621E-01   -.162E-02 0.132E-02 0.137E-04
   0.371E+02 0.779E+01 0.478E+02   -.377E+02 -.807E+01 -.481E+02   0.540E+00 0.279E+00 0.296E+00   0.125E-03 -.242E-03 -.326E-03
   0.192E+02 -.111E+02 0.228E+02   -.192E+02 0.111E+02 -.228E+02   0.499E-01 -.288E-01 -.362E-01   -.499E-03 0.285E-03 -.137E-03
   0.413E+01 -.192E+01 0.123E+02   -.413E+01 0.193E+01 -.123E+02   -.155E-02 -.879E-02 -.421E-01   -.322E-03 0.995E-04 0.478E-04
   -.311E+01 0.363E+01 0.135E+02   0.313E+01 -.363E+01 -.135E+02   -.152E-01 0.101E-01 -.174E-01   0.289E-04 -.127E-03 -.509E-04
   -.163E+02 0.214E+02 0.264E+02   0.165E+02 -.216E+02 -.264E+02   -.228E+00 0.178E+00 -.317E-01   0.474E-03 -.118E-02 -.231E-03
   -.235E+02 0.136E+02 0.930E+02   0.242E+02 -.140E+02 -.950E+02   -.634E+00 0.366E+00 0.203E+01   0.913E-03 -.525E-03 -.139E-03
   0.118E+02 -.360E+02 0.478E+02   -.119E+02 0.367E+02 -.481E+02   0.283E-01 -.607E+00 0.296E+00   0.274E-03 0.114E-04 -.329E-03
   0.591E+01 -.136E+02 0.169E+02   -.592E+01 0.137E+02 -.169E+02   0.122E-03 -.709E-01 -.470E-01   -.515E-03 -.199E-03 -.372E-04
   -.644E+00 -.393E+01 0.125E+02   0.641E+00 0.393E+01 -.125E+02   0.839E-03 0.104E-02 -.157E-01   -.550E-04 -.589E-03 0.251E-03
   -.911E+01 0.526E+01 0.145E+02   0.915E+01 -.528E+01 -.145E+02   -.429E-01 0.248E-01 -.125E-01   0.612E-03 -.348E-03 0.395E-04
   -.267E+02 0.343E+01 0.264E+02   0.270E+02 -.353E+01 -.264E+02   -.268E+00 0.108E+00 -.317E-01   0.126E-02 0.182E-03 -.227E-03
   -.226E+02 -.214E+02 0.419E+02   0.227E+02 0.216E+02 -.418E+02   -.797E-01 -.259E+00 -.621E-01   -.195E-02 0.742E-03 0.152E-04
   -.243E+01 -.188E+02 0.234E+02   0.243E+01 0.189E+02 -.234E+02   0.216E-03 -.102E+00 -.461E-01   0.159E-02 0.259E-02 0.354E-03
   0.206E+01 -.119E+01 0.146E+02   -.206E+01 0.119E+01 -.146E+02   0.135E-02 -.780E-03 -.300E-01   -.752E-03 0.437E-03 0.635E-03
   0.308E+01 0.252E+01 0.125E+02   -.308E+01 -.252E+01 -.125E+02   -.483E-03 -.125E-02 -.157E-01   0.485E-03 0.348E-03 0.254E-03
   -.470E+01 0.885E+00 0.135E+02   0.471E+01 -.893E+00 -.135E+02   -.163E-01 0.809E-02 -.174E-01   0.126E-03 0.418E-04 -.443E-04
   -.112E+02 -.510E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.218E-01 -.728E-02 -.510E-01   0.746E-03 0.110E-02 0.230E-03
   -.617E+01 -.685E+01 0.178E+02   0.617E+01 0.687E+01 -.178E+02   -.148E-02 -.206E-01 -.320E-01   0.111E-02 -.180E-02 0.642E-03
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.300E-03 0.101E+02   0.684E-13 0.215E-12 -.760E-12   0.262E-15 -.208E-15 -.101E+02   0.574E-08 -.777E-08 0.379E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85241      6.05961     12.30994         0.000000      0.000000      0.013498
      1.07535      6.50825     13.56939         0.002526     -0.001458      0.006150
      2.62948      5.61097     13.56939        -0.002526      0.001458      0.006150
     -6.17225     10.69265      9.95768         0.002554     -0.001475     -0.004573
     11.11148      2.13804      9.95625         0.001841      0.001092     -0.003047
      9.87619      4.27780      9.96943         0.002313     -0.001032     -0.000790
      8.64242      6.41668      9.97291         0.001829     -0.000028     -0.000373
     -4.93769      8.55416      9.96767         0.000702     -0.001101     -0.002486
     -3.70298     10.69273      9.96767         0.001305     -0.000058     -0.002486
      1.23405      2.13699      9.96205         0.000652     -0.002133     -0.000329
     -0.00256      4.27135      9.97337         0.003242     -0.001139     -0.000308
     -1.23829      6.41637      9.99030         0.000618     -0.000002      0.002593
     -2.46896      8.55455      9.97470         0.000958     -0.000553      0.002498
      4.93819      0.00076      9.97291         0.000939     -0.001570     -0.000373
      3.70447      2.13703      9.97717         0.001702     -0.000279      0.000503
      2.47017      4.26903     10.00780         0.001814     -0.000575     -0.000634
      1.22932      6.41935     10.01602         0.000519     -0.000300     -0.001024
     -0.00190      8.55785      9.99030         0.000311     -0.000534      0.002593
      7.40739      0.00172      9.96943         0.002051     -0.001487     -0.000790
      6.17302      2.13919      9.97235         0.001835     -0.001334     -0.000470
      4.93945      4.27731      9.98394         0.001707     -0.000986      0.004786
      3.71198      6.41990     10.00780         0.001405     -0.001283     -0.000634
      2.47360      8.56020      9.97337         0.002607     -0.002238     -0.000308
      9.87813      0.00181      9.95625        -0.000025     -0.002140     -0.003047
      8.64244      2.13939      9.96356         0.002354     -0.001359     -0.003900
      7.40790      4.27807      9.97235         0.002073     -0.000922     -0.000470
      6.17550      6.41697      9.97717         0.001092     -0.001334      0.000503
      4.94032      8.55644      9.96205         0.002173      0.000502     -0.000329
     -0.00098      1.42471      9.95625         0.000025      0.002140     -0.003047
     -1.23549      3.56278      9.96205        -0.002173     -0.000502     -0.000329
     -2.47067      5.70224      9.97717        -0.001092      0.001334      0.000503
     -3.70307      7.84115      9.97235        -0.002073      0.000922     -0.000470
     -4.93761      9.97983      9.96356        -0.002354      0.001359     -0.003900
      2.46976      1.42481      9.96943        -0.002051      0.001487     -0.000790
      1.23123      3.55902      9.97337        -0.002607      0.002238     -0.000308
     -0.00715      5.69931     10.00780        -0.001405      0.001283     -0.000634
     -1.23462      7.84191      9.98394        -0.001707      0.000986      0.004786
     -2.46819      9.98002      9.97235        -0.001835      0.001334     -0.000470
      4.93896      1.42577      9.97291        -0.000939      0.001570     -0.000373
      3.70673      3.56136      9.99030        -0.000311      0.000534      0.002593
      2.47551      5.69986     10.01602        -0.000519      0.000300     -0.001024
      1.23466      7.85018     10.00780        -0.001814      0.000575     -0.000634
      0.00036      9.98219      9.97717        -0.001702      0.000279      0.000503
      7.40781      1.42649      9.96767        -0.001305      0.000058     -0.002486
      6.17379      3.56466      9.97470        -0.000958      0.000553      0.002498
      4.94312      5.70285      9.99030        -0.000618      0.000002      0.002593
      3.70739      7.84787      9.97337        -0.003242      0.001139     -0.000308
      2.47078      9.98223      9.96205        -0.000652      0.002133     -0.000329
      9.87708      1.42657      9.95768        -0.002554      0.001475     -0.004573
      8.64252      3.56506      9.96767        -0.000702      0.001101     -0.002486
      7.40871      5.70350      9.97291        -0.001829      0.000028     -0.000373
      6.17494      7.84238      9.96943        -0.002313      0.001032     -0.000790
      4.93965      9.98214      9.95625        -0.001841     -0.001092     -0.003047
 -----------------------------------------------------------------------------------
    total drift:                               -0.001815      0.000300      0.002640


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




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


    WAVPRE:  VPU time    1.96: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.33: CPU time    1.34
    ORTHCH:  VPU time  185.38: CPU time   92.91
     LOOP+:  VPU time 5157.40: CPU time 2652.24


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


    POTLOK:  VPU time    9.12: CPU time    8.97
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1393.91: CPU time  722.50
 BZINTS: Fermi energy: -3.188870;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.22: CPU time   58.15
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1518.80: CPU time  790.12

 eigenvalue-minimisations  :  4104
 total energy-change (2. order) :-0.4717271E+03  (-0.2654191E-05)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9573525 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.14590E-03    rms(broyden)= 0.14583E-03
  rms(prec ) = 0.17942E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34079.83630350
  -1/2 Hartree   DENC   =    -40970.35783249
  -V(xc)+E(xc)   XCENC  =       726.54934724
  PAW double counting   =      4093.28569183    -4131.62225891
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.85818897
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72708420 eV

  energy without entropy =     -471.72708420  energy(sigma->0) =     -471.72708420


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




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


    POTLOK:  VPU time    8.99: CPU time    8.99
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1487.84: CPU time  771.61
 BZINTS: Fermi energy: -3.188692;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1497.25: CPU time  780.97

 eigenvalue-minimisations  :  4472
 total energy-change (2. order) :-0.3221123E-05  (-0.2479470E-06)
 number of electron  212.0000034 magnetization    0.0000000
 augmentation part     7.9573525 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34079.83630350
  -1/2 Hartree   DENC   =    -40970.35535452
  -V(xc)+E(xc)   XCENC  =       726.54905922
  PAW double counting   =      4093.26755752    -4131.60397399
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.86053277
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72708742 eV

  energy without entropy =     -471.72708742  energy(sigma->0) =     -471.72708742


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




 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 -58.2138       2 -39.5376       3 -39.5377       4 -58.3156       5 -58.3195
       6 -58.3220       7 -58.3166       8 -58.3170       9 -58.3169      10 -58.3233
      11 -58.3893      12 -58.3534      13 -58.3249      14 -58.3166      15 -58.3264
      16 -58.5432      17 -58.7298      18 -58.3534      19 -58.3220      20 -58.3218
      21 -58.3597      22 -58.5432      23 -58.3893      24 -58.3195      25 -58.3248
      26 -58.3218      27 -58.3264      28 -58.3233      29 -58.3194      30 -58.3232
      31 -58.3263      32 -58.3217      33 -58.3247      34 -58.3219      35 -58.3892
      36 -58.5431      37 -58.3596      38 -58.3217      39 -58.3165      40 -58.3533
      41 -58.7297      42 -58.5431      43 -58.3263      44 -58.3168      45 -58.3248
      46 -58.3533      47 -58.3892      48 -58.3232      49 -58.3155      50 -58.3168
      51 -58.3165      52 -58.3219      53 -58.3194
 
 
 
 E-fermi :  -3.1887     XC(G=0):  -2.3595     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     -22.4258      1.00000
      2     -21.6019      1.00000
      3     -21.4813      1.00000
      4     -21.4722      1.00000
      5     -21.4407      1.00000
      6     -21.4401      1.00000
      7     -21.4299      1.00000
      8     -19.7067      1.00000
      9     -19.6523      1.00000
     10     -19.6295      1.00000
     11     -19.6183      1.00000
     12     -19.6132      1.00000
     13     -19.6120      1.00000
     14     -18.7894      1.00000
     15     -18.7545      1.00000
     16     -18.7350      1.00000
     17     -18.7256      1.00000
     18     -18.7182      1.00000
     19     -18.7131      1.00000
     20     -16.6349      1.00000
     21     -16.6092      1.00000
     22     -16.5853      1.00000
     23     -16.5816      1.00000
     24     -16.5548      1.00000
     25     -16.5532      1.00000
     26     -15.6139      1.00000
     27     -15.6021      1.00000
     28     -15.5988      1.00000
     29     -15.5651      1.00000
     30     -15.5632      1.00000
     31     -15.5615      1.00000
     32     -14.2596      1.00000
     33     -14.2507      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2227      1.00000
     37     -14.2197      1.00000
     38     -11.9056      1.00000
     39     -11.8795      1.00000
     40     -11.8686      1.00000
     41     -11.8659      1.00000
     42     -11.8456      1.00000
     43     -11.8454      1.00000
     44     -11.7710      1.00000
     45     -11.7689      1.00000
     46     -11.7356      1.00000
     47     -11.7292      1.00000
     48     -11.7257      1.00000
     49     -11.7223      1.00000
     50     -10.6738      1.00000
     51     -10.3884      1.00000
     52     -10.3841      1.00000
     53     -10.3771      1.00000
     54     -10.3684      1.00000
     55     -10.3562      1.00000
     56     -10.3536      1.00000
     57      -9.9017      1.00000
     58      -9.4494      1.00000
     59      -9.4052      1.00000
     60      -9.3624      1.00000
     61      -9.3617      1.00000
     62      -9.3540      1.00000
     63      -9.1423      1.00000
     64      -9.1230      1.00000
     65      -9.1214      1.00000
     66      -9.0857      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0710      1.00000
     70      -9.0656      1.00000
     71      -9.0646      1.00000
     72      -9.0395      1.00000
     73      -9.0294      1.00000
     74      -9.0264      1.00000
     75      -8.1300      1.00000
     76      -7.7412      1.00000
     77      -7.4700      1.00000
     78      -7.4667      1.00000
     79      -7.4548      1.00000
     80      -7.4355      1.00000
     81      -7.4250      1.00000
     82      -7.4077      1.00000
     83      -7.3120      1.00000
     84      -7.2707      1.00000
     85      -7.2574      1.00000
     86      -7.2490      1.00000
     87      -7.1519      1.00000
     88      -7.0498      1.00000
     89      -6.4465      1.00000
     90      -6.4157      1.00000
     91      -6.4003      1.00000
     92      -6.3639      1.00000
     93      -6.3533      1.00000
     94      -6.3416      1.00000
     95      -5.9606      1.00000
     96      -5.9582      1.00000
     97      -4.8033      1.00000
     98      -4.5429      1.00000
     99      -4.4822      1.00000
    100      -4.4729      1.00000
    101      -4.3832      1.00000
    102      -4.3825      1.00000
    103      -4.2675      1.00000
    104      -4.1861      1.00000
    105      -3.7386      1.00000
    106      -3.4745      1.00000
    107      -1.8627      0.00000
    108      -1.6726      0.00000
    109      -1.6253      0.00000
    110      -1.5932      0.00000
    111      -1.5773      0.00000
    112      -1.5767      0.00000
    113      -0.4313      0.00000
    114       0.1432      0.00000
    115       0.1903      0.00000
    116       0.2535      0.00000
    117       0.2660      0.00000
    118       0.2691      0.00000
    119       0.4737      0.00000
    120       0.5423      0.00000
    121       1.2428      0.00000
    122       1.2876      0.00000
    123       1.5150      0.00000
    124       1.7649      0.00000
    125       1.7658      0.00000
    126       1.7675      0.00000
    127       1.7871      0.00000
    128       1.8269      0.00000
    129       1.9560      0.00000
    130       1.9660      0.00000
    131       1.9721      0.00000
    132       1.9866      0.00000
    133       1.9940      0.00000
    134       2.0713      0.00000
    135       2.2467      0.00000
    136       2.3326      0.00000
    137       2.5924      0.00000
    138       2.5936      0.00000
    139       2.6098      0.00000
    140       2.7022      0.00000
    141       2.9405      0.00000
    142       3.0398      0.00000
    143       3.0416      0.00000
    144       3.0592      0.00000
    145       3.0661      0.00000
    146       3.0673      0.00000
    147       3.1010      0.00000
    148       3.2641      0.00000
    149       3.4216      0.00000
    150       3.5000      0.00000
    151       3.8221      0.00000
    152       3.9112      0.00000
    153       3.9275      0.00000
    154       3.9378      0.00000
    155       3.9608      0.00000
    156       4.0013      0.00000
    157       4.1820      0.00000
    158       4.2568      0.00000
    159       4.2730      0.00000
    160       4.2785      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3891      1.00000
      2     -21.8300      1.00000
      3     -21.6379      1.00000
      4     -21.6103      1.00000
      5     -21.2743      1.00000
      6     -21.2352      1.00000
      7     -21.0569      1.00000
      8     -20.1674      1.00000
      9     -20.1295      1.00000
     10     -19.6084      1.00000
     11     -19.5975      1.00000
     12     -19.4172      1.00000
     13     -19.0894      1.00000
     14     -19.0599      1.00000
     15     -19.0491      1.00000
     16     -19.0416      1.00000
     17     -18.3607      1.00000
     18     -18.3524      1.00000
     19     -18.0193      1.00000
     20     -17.0692      1.00000
     21     -17.0308      1.00000
     22     -16.9445      1.00000
     23     -16.9403      1.00000
     24     -16.4682      1.00000
     25     -16.4636      1.00000
     26     -15.6136      1.00000
     27     -15.6075      1.00000
     28     -15.2526      1.00000
     29     -15.2439      1.00000
     30     -15.1851      1.00000
     31     -15.0983      1.00000
     32     -15.0716      1.00000
     33     -14.6986      1.00000
     34     -14.6967      1.00000
     35     -13.7268      1.00000
     36     -13.7241      1.00000
     37     -13.2364      1.00000
     38     -12.6148      1.00000
     39     -12.5849      1.00000
     40     -12.4545      1.00000
     41     -12.4507      1.00000
     42     -12.1098      1.00000
     43     -12.1050      1.00000
     44     -11.7170      1.00000
     45     -11.6863      1.00000
     46     -11.2355      1.00000
     47     -11.2270      1.00000
     48     -11.0182      1.00000
     49     -11.0103      1.00000
     50     -10.9264      1.00000
     51     -10.9054      1.00000
     52     -10.6285      1.00000
     53     -10.1559      1.00000
     54     -10.1512      1.00000
     55     -10.0931      1.00000
     56      -9.9968      1.00000
     57      -9.7027      1.00000
     58      -9.6958      1.00000
     59      -9.6558      1.00000
     60      -9.5920      1.00000
     61      -9.5769      1.00000
     62      -9.5591      1.00000
     63      -9.3079      1.00000
     64      -9.3039      1.00000
     65      -9.2736      1.00000
     66      -9.2366      1.00000
     67      -9.1364      1.00000
     68      -9.1166      1.00000
     69      -9.1114      1.00000
     70      -8.9396      1.00000
     71      -8.8723      1.00000
     72      -8.6050      1.00000
     73      -8.5916      1.00000
     74      -8.2359      1.00000
     75      -8.1020      1.00000
     76      -7.9116      1.00000
     77      -7.8640      1.00000
     78      -7.7728      1.00000
     79      -7.7578      1.00000
     80      -7.6926      1.00000
     81      -7.5587      1.00000
     82      -7.3401      1.00000
     83      -7.3239      1.00000
     84      -7.2046      1.00000
     85      -7.1236      1.00000
     86      -7.0326      1.00000
     87      -7.0127      1.00000
     88      -6.7045      1.00000
     89      -6.6783      1.00000
     90      -6.6415      1.00000
     91      -6.5985      1.00000
     92      -6.1178      1.00000
     93      -6.0627      1.00000
     94      -6.0313      1.00000
     95      -6.0119      1.00000
     96      -5.7832      1.00000
     97      -4.9725      1.00000
     98      -4.8321      1.00000
     99      -4.7473      1.00000
    100      -4.6797      1.00000
    101      -4.4669      1.00000
    102      -4.2016      1.00000
    103      -4.1720      1.00000
    104      -4.1283      1.00000
    105      -3.7291      1.00000
    106      -3.4846      1.00000
    107      -1.8715      0.00000
    108      -1.8106      0.00000
    109      -1.5257      0.00000
    110      -1.3789      0.00000
    111      -1.3232      0.00000
    112      -1.2898      0.00000
    113      -0.7216      0.00000
    114      -0.3782      0.00000
    115      -0.2516      0.00000
    116       0.0335      0.00000
    117       0.5507      0.00000
    118       0.6957      0.00000
    119       0.7438      0.00000
    120       1.0449      0.00000
    121       1.0974      0.00000
    122       1.1458      0.00000
    123       1.2244      0.00000
    124       1.3745      0.00000
    125       1.5132      0.00000
    126       1.5670      0.00000
    127       1.7101      0.00000
    128       1.8052      0.00000
    129       1.8527      0.00000
    130       1.8783      0.00000
    131       2.0834      0.00000
    132       2.1779      0.00000
    133       2.2304      0.00000
    134       2.2901      0.00000
    135       2.5047      0.00000
    136       2.5789      0.00000
    137       2.6136      0.00000
    138       2.7704      0.00000
    139       2.7848      0.00000
    140       2.8196      0.00000
    141       2.8459      0.00000
    142       2.8830      0.00000
    143       2.9340      0.00000
    144       3.0587      0.00000
    145       3.1472      0.00000
    146       3.2864      0.00000
    147       3.3635      0.00000
    148       3.4129      0.00000
    149       3.4552      0.00000
    150       3.5903      0.00000
    151       3.6345      0.00000
    152       3.6517      0.00000
    153       3.7020      0.00000
    154       3.8949      0.00000
    155       3.9393      0.00000
    156       4.0045      0.00000
    157       4.0513      0.00000
    158       4.2195      0.00000
    159       4.2371      0.00000
    160       4.2607      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2830      1.00000
      2     -22.0777      1.00000
      3     -21.7163      1.00000
      4     -21.6847      1.00000
      5     -20.9790      1.00000
      6     -20.9388      1.00000
      7     -20.6115      1.00000
      8     -20.5752      1.00000
      9     -20.5690      1.00000
     10     -20.0326      1.00000
     11     -19.5032      1.00000
     12     -19.4916      1.00000
     13     -19.3068      1.00000
     14     -19.3017      1.00000
     15     -18.4476      1.00000
     16     -18.4112      1.00000
     17     -17.9224      1.00000
     18     -17.9131      1.00000
     19     -17.7616      1.00000
     20     -17.7262      1.00000
     21     -17.4362      1.00000
     22     -17.4288      1.00000
     23     -17.3413      1.00000
     24     -16.4631      1.00000
     25     -16.4619      1.00000
     26     -15.9672      1.00000
     27     -15.4139      1.00000
     28     -15.4091      1.00000
     29     -15.0963      1.00000
     30     -15.0935      1.00000
     31     -14.8554      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2582      1.00000
     35     -13.4373      1.00000
     36     -13.4050      1.00000
     37     -13.1779      1.00000
     38     -13.1743      1.00000
     39     -12.9818      1.00000
     40     -12.9770      1.00000
     41     -12.6136      1.00000
     42     -12.6100      1.00000
     43     -12.1986      1.00000
     44     -11.5763      1.00000
     45     -11.5427      1.00000
     46     -11.3104      1.00000
     47     -11.2879      1.00000
     48     -11.1429      1.00000
     49     -10.6759      1.00000
     50     -10.6614      1.00000
     51     -10.5508      1.00000
     52     -10.3243      1.00000
     53     -10.3179      1.00000
     54     -10.1693      1.00000
     55     -10.1161      1.00000
     56     -10.1129      1.00000
     57      -9.7977      1.00000
     58      -9.7659      1.00000
     59      -9.7518      1.00000
     60      -9.7002      1.00000
     61      -9.6983      1.00000
     62      -9.6615      1.00000
     63      -9.3557      1.00000
     64      -9.3515      1.00000
     65      -9.3156      1.00000
     66      -9.0402      1.00000
     67      -8.9634      1.00000
     68      -8.9492      1.00000
     69      -8.7989      1.00000
     70      -8.5945      1.00000
     71      -8.5578      1.00000
     72      -8.3978      1.00000
     73      -8.3649      1.00000
     74      -8.3251      1.00000
     75      -8.3075      1.00000
     76      -8.2596      1.00000
     77      -8.2578      1.00000
     78      -8.2367      1.00000
     79      -7.9052      1.00000
     80      -7.6505      1.00000
     81      -7.5474      1.00000
     82      -7.3876      1.00000
     83      -7.3507      1.00000
     84      -7.2326      1.00000
     85      -7.0969      1.00000
     86      -7.0392      1.00000
     87      -6.9342      1.00000
     88      -6.8491      1.00000
     89      -6.6131      1.00000
     90      -6.5605      1.00000
     91      -6.2703      1.00000
     92      -6.0434      1.00000
     93      -5.9518      1.00000
     94      -5.6627      1.00000
     95      -5.6232      1.00000
     96      -5.4623      1.00000
     97      -5.3198      1.00000
     98      -5.2792      1.00000
     99      -5.2143      1.00000
    100      -5.1946      1.00000
    101      -4.5058      1.00000
    102      -4.2053      1.00000
    103      -4.0583      1.00000
    104      -3.9899      1.00000
    105      -3.6942      1.00000
    106      -3.4948      1.00000
    107      -1.9474      0.00000
    108      -1.8983      0.00000
    109      -1.3397      0.00000
    110      -1.0867      0.00000
    111      -1.0597      0.00000
    112      -0.8023      0.00000
    113      -0.6791      0.00000
    114      -0.6486      0.00000
    115      -0.6092      0.00000
    116      -0.1112      0.00000
    117       0.2133      0.00000
    118       0.3262      0.00000
    119       0.6887      0.00000
    120       0.8826      0.00000
    121       1.1232      0.00000
    122       1.1967      0.00000
    123       1.3220      0.00000
    124       1.4114      0.00000
    125       1.5512      0.00000
    126       1.5737      0.00000
    127       1.6713      0.00000
    128       1.8112      0.00000
    129       1.8647      0.00000
    130       2.0360      0.00000
    131       2.0972      0.00000
    132       2.3103      0.00000
    133       2.3492      0.00000
    134       2.3848      0.00000
    135       2.5372      0.00000
    136       2.6224      0.00000
    137       2.7182      0.00000
    138       2.7403      0.00000
    139       2.8086      0.00000
    140       2.8730      0.00000
    141       3.0332      0.00000
    142       3.0470      0.00000
    143       3.1562      0.00000
    144       3.2531      0.00000
    145       3.3442      0.00000
    146       3.3997      0.00000
    147       3.4194      0.00000
    148       3.5597      0.00000
    149       3.5752      0.00000
    150       3.5865      0.00000
    151       3.6482      0.00000
    152       3.6613      0.00000
    153       3.7672      0.00000
    154       3.7797      0.00000
    155       3.7854      0.00000
    156       3.8705      0.00000
    157       3.9117      0.00000
    158       3.9770      0.00000
    159       4.2032      0.00000
    160       4.2120      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9623      1.00000
      3     -21.8937      1.00000
      4     -21.3806      1.00000
      5     -21.3516      1.00000
      6     -20.8393      1.00000
      7     -20.7746      1.00000
      8     -20.6241      1.00000
      9     -20.0774      1.00000
     10     -20.0718      1.00000
     11     -19.7168      1.00000
     12     -19.6925      1.00000
     13     -18.9964      1.00000
     14     -18.9906      1.00000
     15     -18.6406      1.00000
     16     -18.6247      1.00000
     17     -18.4624      1.00000
     18     -17.6753      1.00000
     19     -17.6253      1.00000
     20     -17.6225      1.00000
     21     -17.5809      1.00000
     22     -17.1267      1.00000
     23     -17.1053      1.00000
     24     -16.9625      1.00000
     25     -16.0023      1.00000
     26     -15.9289      1.00000
     27     -15.5860      1.00000
     28     -15.5858      1.00000
     29     -15.2869      1.00000
     30     -14.8645      1.00000
     31     -14.8373      1.00000
     32     -14.5794      1.00000
     33     -14.5380      1.00000
     34     -14.1685      1.00000
     35     -14.1551      1.00000
     36     -13.1490      1.00000
     37     -13.1007      1.00000
     38     -13.0305      1.00000
     39     -13.0204      1.00000
     40     -12.7098      1.00000
     41     -12.7058      1.00000
     42     -12.3413      1.00000
     43     -12.3103      1.00000
     44     -11.6359      1.00000
     45     -11.6225      1.00000
     46     -11.5718      1.00000
     47     -10.9494      1.00000
     48     -10.9165      1.00000
     49     -10.6313      1.00000
     50     -10.6256      1.00000
     51     -10.5470      1.00000
     52     -10.4997      1.00000
     53     -10.4995      1.00000
     54     -10.4411      1.00000
     55     -10.3615      1.00000
     56     -10.0983      1.00000
     57      -9.9034      1.00000
     58      -9.6096      1.00000
     59      -9.5577      1.00000
     60      -9.4522      1.00000
     61      -9.4123      1.00000
     62      -9.4050      1.00000
     63      -9.3785      1.00000
     64      -9.3782      1.00000
     65      -9.2867      1.00000
     66      -9.1688      1.00000
     67      -9.1436      1.00000
     68      -9.1146      1.00000
     69      -8.8647      1.00000
     70      -8.8574      1.00000
     71      -8.8147      1.00000
     72      -8.5970      1.00000
     73      -8.4797      1.00000
     74      -8.1991      1.00000
     75      -8.1638      1.00000
     76      -8.0090      1.00000
     77      -7.9612      1.00000
     78      -7.8521      1.00000
     79      -7.8420      1.00000
     80      -7.7057      1.00000
     81      -7.6981      1.00000
     82      -7.6228      1.00000
     83      -7.4481      1.00000
     84      -7.3016      1.00000
     85      -7.2526      1.00000
     86      -6.9071      1.00000
     87      -6.8935      1.00000
     88      -6.5889      1.00000
     89      -6.5516      1.00000
     90      -6.4086      1.00000
     91      -6.2537      1.00000
     92      -6.2337      1.00000
     93      -6.2055      1.00000
     94      -6.0229      1.00000
     95      -5.5498      1.00000
     96      -5.4887      1.00000
     97      -5.3497      1.00000
     98      -5.2203      1.00000
     99      -4.9802      1.00000
    100      -4.7315      1.00000
    101      -4.6780      1.00000
    102      -4.3867      1.00000
    103      -4.2007      1.00000
    104      -3.8693      1.00000
    105      -3.5476      1.00000
    106      -3.5063      1.00000
    107      -2.2578      0.00000
    108      -1.4574      0.00000
    109      -1.3729      0.00000
    110      -1.2433      0.00000
    111      -1.0993      0.00000
    112      -0.9468      0.00000
    113      -0.8657      0.00000
    114      -0.8053      0.00000
    115      -0.1429      0.00000
    116       0.1088      0.00000
    117       0.2392      0.00000
    118       0.3751      0.00000
    119       0.6461      0.00000
    120       0.8331      0.00000
    121       0.9343      0.00000
    122       1.0599      0.00000
    123       1.2252      0.00000
    124       1.4414      0.00000
    125       1.5446      0.00000
    126       1.7638      0.00000
    127       1.7867      0.00000
    128       1.8633      0.00000
    129       1.9537      0.00000
    130       2.0308      0.00000
    131       2.1643      0.00000
    132       2.1760      0.00000
    133       2.4009      0.00000
    134       2.4260      0.00000
    135       2.5218      0.00000
    136       2.6018      0.00000
    137       2.6341      0.00000
    138       2.6861      0.00000
    139       2.7632      0.00000
    140       2.8341      0.00000
    141       2.9402      0.00000
    142       3.0687      0.00000
    143       3.1914      0.00000
    144       3.1927      0.00000
    145       3.2367      0.00000
    146       3.2969      0.00000
    147       3.3061      0.00000
    148       3.4546      0.00000
    149       3.4856      0.00000
    150       3.6830      0.00000
    151       3.7038      0.00000
    152       3.7102      0.00000
    153       3.8512      0.00000
    154       3.9041      0.00000
    155       3.9353      0.00000
    156       3.9670      0.00000
    157       3.9970      0.00000
    158       4.0295      0.00000
    159       4.0372      0.00000
    160       4.0674      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2097      1.00000
      2     -22.1175      1.00000
      3     -21.9567      1.00000
      4     -21.4042      1.00000
      5     -21.0495      1.00000
      6     -21.0139      1.00000
      7     -20.5004      1.00000
      8     -20.4613      1.00000
      9     -20.2949      1.00000
     10     -20.2758      1.00000
     11     -19.9574      1.00000
     12     -19.8920      1.00000
     13     -18.8824      1.00000
     14     -18.8140      1.00000
     15     -18.3528      1.00000
     16     -18.3070      1.00000
     17     -18.1533      1.00000
     18     -18.1362      1.00000
     19     -17.8269      1.00000
     20     -17.7896      1.00000
     21     -17.2522      1.00000
     22     -17.2421      1.00000
     23     -17.1654      1.00000
     24     -17.1332      1.00000
     25     -16.1102      1.00000
     26     -15.8853      1.00000
     27     -15.8703      1.00000
     28     -15.8348      1.00000
     29     -15.2371      1.00000
     30     -14.5552      1.00000
     31     -14.5276      1.00000
     32     -14.2809      1.00000
     33     -13.9646      1.00000
     34     -13.9570      1.00000
     35     -13.8212      1.00000
     36     -13.8054      1.00000
     37     -13.6151      1.00000
     38     -13.5714      1.00000
     39     -13.3699      1.00000
     40     -12.6347      1.00000
     41     -12.1814      1.00000
     42     -12.1337      1.00000
     43     -12.0721      1.00000
     44     -12.0199      1.00000
     45     -11.6706      1.00000
     46     -11.6573      1.00000
     47     -11.1394      1.00000
     48     -11.1192      1.00000
     49     -10.7948      1.00000
     50     -10.7313      1.00000
     51     -10.5257      1.00000
     52     -10.2099      1.00000
     53     -10.2059      1.00000
     54     -10.1645      1.00000
     55     -10.0186      1.00000
     56     -10.0043      1.00000
     57      -9.9910      1.00000
     58      -9.8021      1.00000
     59      -9.7986      1.00000
     60      -9.7634      1.00000
     61      -9.7588      1.00000
     62      -9.4548      1.00000
     63      -9.4165      1.00000
     64      -9.0797      1.00000
     65      -9.0733      1.00000
     66      -9.0419      1.00000
     67      -8.9559      1.00000
     68      -8.8770      1.00000
     69      -8.7132      1.00000
     70      -8.7008      1.00000
     71      -8.5662      1.00000
     72      -8.5435      1.00000
     73      -8.4986      1.00000
     74      -8.4641      1.00000
     75      -8.4536      1.00000
     76      -8.2597      1.00000
     77      -8.1253      1.00000
     78      -8.0432      1.00000
     79      -7.9170      1.00000
     80      -7.8624      1.00000
     81      -7.6154      1.00000
     82      -7.5491      1.00000
     83      -7.4905      1.00000
     84      -7.2676      1.00000
     85      -6.9968      1.00000
     86      -6.9250      1.00000
     87      -6.8838      1.00000
     88      -6.5334      1.00000
     89      -6.4879      1.00000
     90      -6.4613      1.00000
     91      -6.4107      1.00000
     92      -5.9834      1.00000
     93      -5.8974      1.00000
     94      -5.7849      1.00000
     95      -5.7602      1.00000
     96      -5.4313      1.00000
     97      -5.3292      1.00000
     98      -5.2307      1.00000
     99      -5.2180      1.00000
    100      -5.1892      1.00000
    101      -4.6915      1.00000
    102      -4.4203      1.00000
    103      -4.2071      1.00000
    104      -3.8321      1.00000
    105      -3.5255      1.00000
    106      -3.2755      1.00000
    107      -2.5327      0.00000
    108      -1.4588      0.00000
    109      -1.2685      0.00000
    110      -1.2045      0.00000
    111      -1.1738      0.00000
    112      -0.7218      0.00000
    113      -0.5056      0.00000
    114      -0.4141      0.00000
    115      -0.3410      0.00000
    116      -0.1482      0.00000
    117      -0.0050      0.00000
    118       0.1906      0.00000
    119       0.5588      0.00000
    120       0.6102      0.00000
    121       0.7906      0.00000
    122       0.9028      0.00000
    123       1.1253      0.00000
    124       1.4829      0.00000
    125       1.6363      0.00000
    126       1.8337      0.00000
    127       1.9194      0.00000
    128       2.0938      0.00000
    129       2.1094      0.00000
    130       2.1119      0.00000
    131       2.1813      0.00000
    132       2.2771      0.00000
    133       2.3136      0.00000
    134       2.4687      0.00000
    135       2.5685      0.00000
    136       2.6512      0.00000
    137       2.8449      0.00000
    138       2.8672      0.00000
    139       2.8874      0.00000
    140       2.9890      0.00000
    141       3.0231      0.00000
    142       3.1342      0.00000
    143       3.1670      0.00000
    144       3.2198      0.00000
    145       3.2688      0.00000
    146       3.2781      0.00000
    147       3.2953      0.00000
    148       3.3397      0.00000
    149       3.4029      0.00000
    150       3.4247      0.00000
    151       3.5234      0.00000
    152       3.6087      0.00000
    153       3.6886      0.00000
    154       3.7098      0.00000
    155       3.7644      0.00000
    156       3.8880      0.00000
    157       3.9250      0.00000
    158       3.9954      0.00000
    159       4.1129      0.00000
    160       4.2254      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3169      1.00000
      2     -21.9639      1.00000
      3     -21.8922      1.00000
      4     -21.3843      1.00000
      5     -21.3482      1.00000
      6     -20.8392      1.00000
      7     -20.7731      1.00000
      8     -20.6248      1.00000
      9     -20.0894      1.00000
     10     -20.0610      1.00000
     11     -19.7184      1.00000
     12     -19.6898      1.00000
     13     -19.0096      1.00000
     14     -18.9789      1.00000
     15     -18.6499      1.00000
     16     -18.6173      1.00000
     17     -18.4607      1.00000
     18     -17.6605      1.00000
     19     -17.6469      1.00000
     20     -17.6109      1.00000
     21     -17.5783      1.00000
     22     -17.1374      1.00000
     23     -17.0978      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9232      1.00000
     27     -15.5988      1.00000
     28     -15.5756      1.00000
     29     -15.2803      1.00000
     30     -14.8768      1.00000
     31     -14.8301      1.00000
     32     -14.5750      1.00000
     33     -14.5373      1.00000
     34     -14.1645      1.00000
     35     -14.1603      1.00000
     36     -13.1625      1.00000
     37     -13.0960      1.00000
     38     -13.0234      1.00000
     39     -13.0190      1.00000
     40     -12.7182      1.00000
     41     -12.6952      1.00000
     42     -12.3408      1.00000
     43     -12.3137      1.00000
     44     -11.6324      1.00000
     45     -11.6233      1.00000
     46     -11.5705      1.00000
     47     -10.9412      1.00000
     48     -10.9233      1.00000
     49     -10.6674      1.00000
     50     -10.5904      1.00000
     51     -10.5730      1.00000
     52     -10.5017      1.00000
     53     -10.4887      1.00000
     54     -10.4397      1.00000
     55     -10.3564      1.00000
     56     -10.1028      1.00000
     57      -9.8976      1.00000
     58      -9.6088      1.00000
     59      -9.5516      1.00000
     60      -9.4533      1.00000
     61      -9.4192      1.00000
     62      -9.4095      1.00000
     63      -9.3801      1.00000
     64      -9.3724      1.00000
     65      -9.2673      1.00000
     66      -9.1662      1.00000
     67      -9.1422      1.00000
     68      -9.1166      1.00000
     69      -8.8667      1.00000
     70      -8.8609      1.00000
     71      -8.8018      1.00000
     72      -8.5961      1.00000
     73      -8.5257      1.00000
     74      -8.1940      1.00000
     75      -8.1714      1.00000
     76      -8.0758      1.00000
     77      -7.8584      1.00000
     78      -7.8377      1.00000
     79      -7.8226      1.00000
     80      -7.7111      1.00000
     81      -7.6969      1.00000
     82      -7.5983      1.00000
     83      -7.5283      1.00000
     84      -7.3507      1.00000
     85      -7.1683      1.00000
     86      -6.9064      1.00000
     87      -6.8967      1.00000
     88      -6.5927      1.00000
     89      -6.5518      1.00000
     90      -6.4067      1.00000
     91      -6.3026      1.00000
     92      -6.2478      1.00000
     93      -6.2024      1.00000
     94      -6.0041      1.00000
     95      -5.5314      1.00000
     96      -5.4661      1.00000
     97      -5.3141      1.00000
     98      -5.2102      1.00000
     99      -5.0461      1.00000
    100      -4.7231      1.00000
    101      -4.6715      1.00000
    102      -4.4224      1.00000
    103      -4.1928      1.00000
    104      -3.8409      1.00000
    105      -3.6332      1.00000
    106      -3.4154      1.00000
    107      -2.2940      0.00000
    108      -1.5104      0.00000
    109      -1.2718      0.00000
    110      -1.2642      0.00000
    111      -1.0359      0.00000
    112      -0.9793      0.00000
    113      -0.8698      0.00000
    114      -0.8013      0.00000
    115      -0.2645      0.00000
    116       0.2020      0.00000
    117       0.2374      0.00000
    118       0.3571      0.00000
    119       0.6857      0.00000
    120       0.8916      0.00000
    121       0.9209      0.00000
    122       1.0361      0.00000
    123       1.1613      0.00000
    124       1.5038      0.00000
    125       1.5477      0.00000
    126       1.7020      0.00000
    127       1.7761      0.00000
    128       1.8269      0.00000
    129       1.9497      0.00000
    130       1.9724      0.00000
    131       2.1658      0.00000
    132       2.2541      0.00000
    133       2.4016      0.00000
    134       2.4263      0.00000
    135       2.5277      0.00000
    136       2.5966      0.00000
    137       2.6159      0.00000
    138       2.6911      0.00000
    139       2.7457      0.00000
    140       2.8554      0.00000
    141       3.0293      0.00000
    142       3.0631      0.00000
    143       3.1818      0.00000
    144       3.2218      0.00000
    145       3.2394      0.00000
    146       3.2843      0.00000
    147       3.3257      0.00000
    148       3.4356      0.00000
    149       3.5092      0.00000
    150       3.6885      0.00000
    151       3.7120      0.00000
    152       3.7165      0.00000
    153       3.8205      0.00000
    154       3.8817      0.00000
    155       3.9133      0.00000
    156       3.9741      0.00000
    157       3.9935      0.00000
    158       4.0227      0.00000
    159       4.0534      0.00000
    160       4.0903      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3891      1.00000
      2     -21.8303      1.00000
      3     -21.6411      1.00000
      4     -21.6064      1.00000
      5     -21.2784      1.00000
      6     -21.2318      1.00000
      7     -21.0563      1.00000
      8     -20.1711      1.00000
      9     -20.1254      1.00000
     10     -19.6167      1.00000
     11     -19.5909      1.00000
     12     -19.4155      1.00000
     13     -19.0943      1.00000
     14     -19.0560      1.00000
     15     -19.0517      1.00000
     16     -19.0389      1.00000
     17     -18.3668      1.00000
     18     -18.3473      1.00000
     19     -18.0167      1.00000
     20     -17.0722      1.00000
     21     -17.0239      1.00000
     22     -16.9500      1.00000
     23     -16.9363      1.00000
     24     -16.4753      1.00000
     25     -16.4633      1.00000
     26     -15.6097      1.00000
     27     -15.6092      1.00000
     28     -15.2501      1.00000
     29     -15.2382      1.00000
     30     -15.1912      1.00000
     31     -15.1012      1.00000
     32     -15.0685      1.00000
     33     -14.6987      1.00000
     34     -14.6978      1.00000
     35     -13.7255      1.00000
     36     -13.7254      1.00000
     37     -13.2352      1.00000
     38     -12.6243      1.00000
     39     -12.5806      1.00000
     40     -12.4546      1.00000
     41     -12.4492      1.00000
     42     -12.1059      1.00000
     43     -12.1011      1.00000
     44     -11.7221      1.00000
     45     -11.6838      1.00000
     46     -11.2458      1.00000
     47     -11.2255      1.00000
     48     -11.0176      1.00000
     49     -11.0060      1.00000
     50     -10.9282      1.00000
     51     -10.8998      1.00000
     52     -10.6345      1.00000
     53     -10.1721      1.00000
     54     -10.1493      1.00000
     55     -10.0850      1.00000
     56      -9.9905      1.00000
     57      -9.6966      1.00000
     58      -9.6896      1.00000
     59      -9.6705      1.00000
     60      -9.5929      1.00000
     61      -9.5685      1.00000
     62      -9.5531      1.00000
     63      -9.3129      1.00000
     64      -9.3003      1.00000
     65      -9.2823      1.00000
     66      -9.2443      1.00000
     67      -9.1222      1.00000
     68      -9.1127      1.00000
     69      -9.1108      1.00000
     70      -8.9393      1.00000
     71      -8.8766      1.00000
     72      -8.6062      1.00000
     73      -8.5876      1.00000
     74      -8.2698      1.00000
     75      -8.1016      1.00000
     76      -7.8692      1.00000
     77      -7.8436      1.00000
     78      -7.7898      1.00000
     79      -7.7648      1.00000
     80      -7.7562      1.00000
     81      -7.4454      1.00000
     82      -7.3350      1.00000
     83      -7.3234      1.00000
     84      -7.2659      1.00000
     85      -7.1636      1.00000
     86      -7.0168      1.00000
     87      -6.9870      1.00000
     88      -6.7175      1.00000
     89      -6.6912      1.00000
     90      -6.6318      1.00000
     91      -6.5913      1.00000
     92      -6.1178      1.00000
     93      -6.0604      1.00000
     94      -6.0448      1.00000
     95      -6.0292      1.00000
     96      -5.7486      1.00000
     97      -4.9731      1.00000
     98      -4.8390      1.00000
     99      -4.7097      1.00000
    100      -4.6741      1.00000
    101      -4.4826      1.00000
    102      -4.3490      1.00000
    103      -4.1120      1.00000
    104      -4.0555      1.00000
    105      -3.7543      1.00000
    106      -3.4627      1.00000
    107      -1.9516      0.00000
    108      -1.7730      0.00000
    109      -1.4817      0.00000
    110      -1.3571      0.00000
    111      -1.3376      0.00000
    112      -1.2938      0.00000
    113      -0.6802      0.00000
    114      -0.4736      0.00000
    115      -0.2373      0.00000
    116       0.0481      0.00000
    117       0.5819      0.00000
    118       0.6904      0.00000
    119       0.7670      0.00000
    120       1.0188      0.00000
    121       1.0951      0.00000
    122       1.1739      0.00000
    123       1.2471      0.00000
    124       1.3328      0.00000
    125       1.4216      0.00000
    126       1.5813      0.00000
    127       1.7576      0.00000
    128       1.8381      0.00000
    129       1.8559      0.00000
    130       1.8822      0.00000
    131       2.0288      0.00000
    132       2.2050      0.00000
    133       2.2281      0.00000
    134       2.2693      0.00000
    135       2.4697      0.00000
    136       2.6094      0.00000
    137       2.6275      0.00000
    138       2.7368      0.00000
    139       2.7650      0.00000
    140       2.8326      0.00000
    141       2.8390      0.00000
    142       2.8594      0.00000
    143       2.9361      0.00000
    144       3.0625      0.00000
    145       3.2834      0.00000
    146       3.3496      0.00000
    147       3.3902      0.00000
    148       3.4058      0.00000
    149       3.4135      0.00000
    150       3.5647      0.00000
    151       3.6238      0.00000
    152       3.6675      0.00000
    153       3.7190      0.00000
    154       3.8878      0.00000
    155       3.9065      0.00000
    156       3.9347      0.00000
    157       4.0913      0.00000
    158       4.1848      0.00000
    159       4.2492      0.00000
    160       4.2718      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1189      1.00000
      3     -21.9564      1.00000
      4     -21.4044      1.00000
      5     -21.0457      1.00000
      6     -21.0176      1.00000
      7     -20.4956      1.00000
      8     -20.4660      1.00000
      9     -20.2860      1.00000
     10     -20.2841      1.00000
     11     -19.9563      1.00000
     12     -19.8938      1.00000
     13     -18.8831      1.00000
     14     -18.8162      1.00000
     15     -18.3376      1.00000
     16     -18.3185      1.00000
     17     -18.1492      1.00000
     18     -18.1417      1.00000
     19     -17.8158      1.00000
     20     -17.7977      1.00000
     21     -17.2583      1.00000
     22     -17.2389      1.00000
     23     -17.1606      1.00000
     24     -17.1359      1.00000
     25     -16.1158      1.00000
     26     -15.8806      1.00000
     27     -15.8696      1.00000
     28     -15.8410      1.00000
     29     -15.2315      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2764      1.00000
     33     -13.9747      1.00000
     34     -13.9513      1.00000
     35     -13.8250      1.00000
     36     -13.8029      1.00000
     37     -13.6045      1.00000
     38     -13.5793      1.00000
     39     -13.3698      1.00000
     40     -12.6383      1.00000
     41     -12.1696      1.00000
     42     -12.1432      1.00000
     43     -12.0682      1.00000
     44     -12.0217      1.00000
     45     -11.6649      1.00000
     46     -11.6602      1.00000
     47     -11.1374      1.00000
     48     -11.1266      1.00000
     49     -10.7910      1.00000
     50     -10.7353      1.00000
     51     -10.5324      1.00000
     52     -10.2084      1.00000
     53     -10.2023      1.00000
     54     -10.1702      1.00000
     55     -10.0225      1.00000
     56      -9.9939      1.00000
     57      -9.9903      1.00000
     58      -9.8054      1.00000
     59      -9.7962      1.00000
     60      -9.7656      1.00000
     61      -9.7576      1.00000
     62      -9.4555      1.00000
     63      -9.4163      1.00000
     64      -9.0843      1.00000
     65      -9.0462      1.00000
     66      -9.0255      1.00000
     67      -8.9713      1.00000
     68      -8.8969      1.00000
     69      -8.7084      1.00000
     70      -8.6994      1.00000
     71      -8.5614      1.00000
     72      -8.5505      1.00000
     73      -8.4777      1.00000
     74      -8.4606      1.00000
     75      -8.4570      1.00000
     76      -8.3069      1.00000
     77      -8.0945      1.00000
     78      -8.0894      1.00000
     79      -7.9270      1.00000
     80      -7.8316      1.00000
     81      -7.6008      1.00000
     82      -7.5388      1.00000
     83      -7.4452      1.00000
     84      -7.3129      1.00000
     85      -6.9938      1.00000
     86      -6.9200      1.00000
     87      -6.8822      1.00000
     88      -6.5297      1.00000
     89      -6.5157      1.00000
     90      -6.4818      1.00000
     91      -6.4209      1.00000
     92      -5.9267      1.00000
     93      -5.9057      1.00000
     94      -5.7892      1.00000
     95      -5.7749      1.00000
     96      -5.3694      1.00000
     97      -5.3627      1.00000
     98      -5.2211      1.00000
     99      -5.2159      1.00000
    100      -5.1990      1.00000
    101      -4.7195      1.00000
    102      -4.4403      1.00000
    103      -4.1890      1.00000
    104      -3.8184      1.00000
    105      -3.5621      1.00000
    106      -3.2227      1.00000
    107      -2.5641      0.00000
    108      -1.4640      0.00000
    109      -1.2686      0.00000
    110      -1.1871      0.00000
    111      -1.1854      0.00000
    112      -0.6469      0.00000
    113      -0.5535      0.00000
    114      -0.4166      0.00000
    115      -0.3494      0.00000
    116      -0.0801      0.00000
    117      -0.0652      0.00000
    118       0.1237      0.00000
    119       0.5907      0.00000
    120       0.6237      0.00000
    121       0.8513      0.00000
    122       0.9770      0.00000
    123       0.9990      0.00000
    124       1.4896      0.00000
    125       1.6785      0.00000
    126       1.7452      0.00000
    127       1.8505      0.00000
    128       2.1060      0.00000
    129       2.1112      0.00000
    130       2.1781      0.00000
    131       2.2073      0.00000
    132       2.2454      0.00000
    133       2.3320      0.00000
    134       2.4888      0.00000
    135       2.5074      0.00000
    136       2.6556      0.00000
    137       2.8503      0.00000
    138       2.8574      0.00000
    139       2.9457      0.00000
    140       2.9827      0.00000
    141       3.0283      0.00000
    142       3.1296      0.00000
    143       3.1807      0.00000
    144       3.2333      0.00000
    145       3.2372      0.00000
    146       3.2742      0.00000
    147       3.2962      0.00000
    148       3.3481      0.00000
    149       3.3859      0.00000
    150       3.5340      0.00000
    151       3.5527      0.00000
    152       3.6362      0.00000
    153       3.6447      0.00000
    154       3.6832      0.00000
    155       3.7081      0.00000
    156       3.8893      0.00000
    157       3.9351      0.00000
    158       4.0299      0.00000
    159       4.0581      0.00000
    160       4.1651      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0783      1.00000
      3     -21.7198      1.00000
      4     -21.6810      1.00000
      5     -20.9823      1.00000
      6     -20.9351      1.00000
      7     -20.6110      1.00000
      8     -20.5790      1.00000
      9     -20.5656      1.00000
     10     -20.0321      1.00000
     11     -19.5131      1.00000
     12     -19.4834      1.00000
     13     -19.3115      1.00000
     14     -19.2985      1.00000
     15     -18.4494      1.00000
     16     -18.4067      1.00000
     17     -17.9276      1.00000
     18     -17.9075      1.00000
     19     -17.7657      1.00000
     20     -17.7212      1.00000
     21     -17.4418      1.00000
     22     -17.4235      1.00000
     23     -17.3384      1.00000
     24     -16.4714      1.00000
     25     -16.4611      1.00000
     26     -15.9699      1.00000
     27     -15.4112      1.00000
     28     -15.4103      1.00000
     29     -15.0963      1.00000
     30     -15.0932      1.00000
     31     -14.8536      1.00000
     32     -14.8415      1.00000
     33     -14.2976      1.00000
     34     -14.2543      1.00000
     35     -13.4442      1.00000
     36     -13.4007      1.00000
     37     -13.1756      1.00000
     38     -13.1743      1.00000
     39     -12.9851      1.00000
     40     -12.9762      1.00000
     41     -12.6113      1.00000
     42     -12.6094      1.00000
     43     -12.1967      1.00000
     44     -11.5800      1.00000
     45     -11.5392      1.00000
     46     -11.3140      1.00000
     47     -11.2839      1.00000
     48     -11.1419      1.00000
     49     -10.6920      1.00000
     50     -10.6640      1.00000
     51     -10.5451      1.00000
     52     -10.3222      1.00000
     53     -10.3146      1.00000
     54     -10.1755      1.00000
     55     -10.1223      1.00000
     56     -10.1086      1.00000
     57      -9.8106      1.00000
     58      -9.7523      1.00000
     59      -9.7520      1.00000
     60      -9.7024      1.00000
     61      -9.6986      1.00000
     62      -9.6464      1.00000
     63      -9.3527      1.00000
     64      -9.3513      1.00000
     65      -9.3192      1.00000
     66      -9.0269      1.00000
     67      -8.9619      1.00000
     68      -8.9579      1.00000
     69      -8.7752      1.00000
     70      -8.5931      1.00000
     71      -8.5867      1.00000
     72      -8.4231      1.00000
     73      -8.3496      1.00000
     74      -8.3231      1.00000
     75      -8.3028      1.00000
     76      -8.2670      1.00000
     77      -8.2555      1.00000
     78      -8.2408      1.00000
     79      -7.9216      1.00000
     80      -7.7340      1.00000
     81      -7.3795      1.00000
     82      -7.3501      1.00000
     83      -7.3219      1.00000
     84      -7.2177      1.00000
     85      -7.1598      1.00000
     86      -7.0662      1.00000
     87      -6.9607      1.00000
     88      -6.9060      1.00000
     89      -6.6155      1.00000
     90      -6.5567      1.00000
     91      -6.2733      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6752      1.00000
     95      -5.6484      1.00000
     96      -5.3876      1.00000
     97      -5.3155      1.00000
     98      -5.2940      1.00000
     99      -5.2125      1.00000
    100      -5.2008      1.00000
    101      -4.5095      1.00000
    102      -4.3351      1.00000
    103      -3.9962      1.00000
    104      -3.8861      1.00000
    105      -3.7920      1.00000
    106      -3.4411      1.00000
    107      -2.0356      0.00000
    108      -1.8653      0.00000
    109      -1.2190      0.00000
    110      -1.1855      0.00000
    111      -1.0375      0.00000
    112      -0.7742      0.00000
    113      -0.6793      0.00000
    114      -0.6616      0.00000
    115      -0.6111      0.00000
    116      -0.1053      0.00000
    117       0.2209      0.00000
    118       0.2372      0.00000
    119       0.7645      0.00000
    120       0.9783      0.00000
    121       1.0718      0.00000
    122       1.2370      0.00000
    123       1.2481      0.00000
    124       1.3338      0.00000
    125       1.5713      0.00000
    126       1.5824      0.00000
    127       1.6882      0.00000
    128       1.7967      0.00000
    129       1.9373      0.00000
    130       1.9423      0.00000
    131       2.0570      0.00000
    132       2.2740      0.00000
    133       2.3372      0.00000
    134       2.4125      0.00000
    135       2.5258      0.00000
    136       2.6256      0.00000
    137       2.7533      0.00000
    138       2.8041      0.00000
    139       2.8358      0.00000
    140       2.8586      0.00000
    141       3.0319      0.00000
    142       3.0943      0.00000
    143       3.1407      0.00000
    144       3.2075      0.00000
    145       3.3522      0.00000
    146       3.4010      0.00000
    147       3.4945      0.00000
    148       3.5226      0.00000
    149       3.5830      0.00000
    150       3.6055      0.00000
    151       3.6207      0.00000
    152       3.7292      0.00000
    153       3.7294      0.00000
    154       3.7618      0.00000
    155       3.8044      0.00000
    156       3.8533      0.00000
    157       4.0046      0.00000
    158       4.0804      0.00000
    159       4.1624      0.00000
    160       4.1835      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4258      1.00000
      2     -21.6019      1.00000
      3     -21.4813      1.00000
      4     -21.4722      1.00000
      5     -21.4407      1.00000
      6     -21.4401      1.00000
      7     -21.4299      1.00000
      8     -19.7067      1.00000
      9     -19.6523      1.00000
     10     -19.6295      1.00000
     11     -19.6183      1.00000
     12     -19.6132      1.00000
     13     -19.6120      1.00000
     14     -18.7894      1.00000
     15     -18.7545      1.00000
     16     -18.7350      1.00000
     17     -18.7256      1.00000
     18     -18.7182      1.00000
     19     -18.7131      1.00000
     20     -16.6349      1.00000
     21     -16.6092      1.00000
     22     -16.5853      1.00000
     23     -16.5816      1.00000
     24     -16.5548      1.00000
     25     -16.5532      1.00000
     26     -15.6139      1.00000
     27     -15.6021      1.00000
     28     -15.5988      1.00000
     29     -15.5651      1.00000
     30     -15.5632      1.00000
     31     -15.5615      1.00000
     32     -14.2596      1.00000
     33     -14.2507      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2227      1.00000
     37     -14.2197      1.00000
     38     -11.9056      1.00000
     39     -11.8795      1.00000
     40     -11.8686      1.00000
     41     -11.8659      1.00000
     42     -11.8456      1.00000
     43     -11.8454      1.00000
     44     -11.7710      1.00000
     45     -11.7689      1.00000
     46     -11.7356      1.00000
     47     -11.7292      1.00000
     48     -11.7257      1.00000
     49     -11.7223      1.00000
     50     -10.6738      1.00000
     51     -10.3884      1.00000
     52     -10.3841      1.00000
     53     -10.3771      1.00000
     54     -10.3684      1.00000
     55     -10.3562      1.00000
     56     -10.3536      1.00000
     57      -9.9017      1.00000
     58      -9.4494      1.00000
     59      -9.4052      1.00000
     60      -9.3624      1.00000
     61      -9.3617      1.00000
     62      -9.3540      1.00000
     63      -9.1423      1.00000
     64      -9.1230      1.00000
     65      -9.1214      1.00000
     66      -9.0857      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0710      1.00000
     70      -9.0656      1.00000
     71      -9.0646      1.00000
     72      -9.0395      1.00000
     73      -9.0294      1.00000
     74      -9.0264      1.00000
     75      -8.1300      1.00000
     76      -7.7412      1.00000
     77      -7.4700      1.00000
     78      -7.4667      1.00000
     79      -7.4548      1.00000
     80      -7.4355      1.00000
     81      -7.4250      1.00000
     82      -7.4077      1.00000
     83      -7.3120      1.00000
     84      -7.2707      1.00000
     85      -7.2574      1.00000
     86      -7.2490      1.00000
     87      -7.1519      1.00000
     88      -7.0498      1.00000
     89      -6.4465      1.00000
     90      -6.4157      1.00000
     91      -6.4003      1.00000
     92      -6.3639      1.00000
     93      -6.3533      1.00000
     94      -6.3416      1.00000
     95      -5.9606      1.00000
     96      -5.9582      1.00000
     97      -4.8033      1.00000
     98      -4.5429      1.00000
     99      -4.4822      1.00000
    100      -4.4729      1.00000
    101      -4.3832      1.00000
    102      -4.3825      1.00000
    103      -4.2675      1.00000
    104      -4.1861      1.00000
    105      -3.7386      1.00000
    106      -3.4745      1.00000
    107      -1.8627      0.00000
    108      -1.6726      0.00000
    109      -1.6253      0.00000
    110      -1.5932      0.00000
    111      -1.5773      0.00000
    112      -1.5767      0.00000
    113      -0.4313      0.00000
    114       0.1432      0.00000
    115       0.1903      0.00000
    116       0.2535      0.00000
    117       0.2660      0.00000
    118       0.2691      0.00000
    119       0.4737      0.00000
    120       0.5423      0.00000
    121       1.2428      0.00000
    122       1.2876      0.00000
    123       1.5151      0.00000
    124       1.7649      0.00000
    125       1.7658      0.00000
    126       1.7675      0.00000
    127       1.7871      0.00000
    128       1.8269      0.00000
    129       1.9560      0.00000
    130       1.9660      0.00000
    131       1.9721      0.00000
    132       1.9866      0.00000
    133       1.9940      0.00000
    134       2.0713      0.00000
    135       2.2467      0.00000
    136       2.3326      0.00000
    137       2.5924      0.00000
    138       2.5937      0.00000
    139       2.6098      0.00000
    140       2.7022      0.00000
    141       2.9405      0.00000
    142       3.0397      0.00000
    143       3.0416      0.00000
    144       3.0592      0.00000
    145       3.0660      0.00000
    146       3.0673      0.00000
    147       3.1010      0.00000
    148       3.2641      0.00000
    149       3.4216      0.00000
    150       3.5000      0.00000
    151       3.8221      0.00000
    152       3.9112      0.00000
    153       3.9275      0.00000
    154       3.9377      0.00000
    155       3.9609      0.00000
    156       4.0013      0.00000
    157       4.1820      0.00000
    158       4.2568      0.00000
    159       4.2730      0.00000
    160       4.2785      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3891      1.00000
      2     -21.8300      1.00000
      3     -21.6379      1.00000
      4     -21.6103      1.00000
      5     -21.2743      1.00000
      6     -21.2352      1.00000
      7     -21.0569      1.00000
      8     -20.1674      1.00000
      9     -20.1295      1.00000
     10     -19.6084      1.00000
     11     -19.5975      1.00000
     12     -19.4172      1.00000
     13     -19.0894      1.00000
     14     -19.0599      1.00000
     15     -19.0491      1.00000
     16     -19.0416      1.00000
     17     -18.3607      1.00000
     18     -18.3524      1.00000
     19     -18.0193      1.00000
     20     -17.0692      1.00000
     21     -17.0308      1.00000
     22     -16.9445      1.00000
     23     -16.9403      1.00000
     24     -16.4682      1.00000
     25     -16.4636      1.00000
     26     -15.6136      1.00000
     27     -15.6075      1.00000
     28     -15.2526      1.00000
     29     -15.2439      1.00000
     30     -15.1851      1.00000
     31     -15.0983      1.00000
     32     -15.0716      1.00000
     33     -14.6986      1.00000
     34     -14.6967      1.00000
     35     -13.7268      1.00000
     36     -13.7241      1.00000
     37     -13.2364      1.00000
     38     -12.6148      1.00000
     39     -12.5849      1.00000
     40     -12.4545      1.00000
     41     -12.4507      1.00000
     42     -12.1098      1.00000
     43     -12.1050      1.00000
     44     -11.7170      1.00000
     45     -11.6863      1.00000
     46     -11.2355      1.00000
     47     -11.2270      1.00000
     48     -11.0182      1.00000
     49     -11.0103      1.00000
     50     -10.9264      1.00000
     51     -10.9054      1.00000
     52     -10.6285      1.00000
     53     -10.1559      1.00000
     54     -10.1512      1.00000
     55     -10.0931      1.00000
     56      -9.9968      1.00000
     57      -9.7027      1.00000
     58      -9.6958      1.00000
     59      -9.6558      1.00000
     60      -9.5920      1.00000
     61      -9.5769      1.00000
     62      -9.5591      1.00000
     63      -9.3079      1.00000
     64      -9.3039      1.00000
     65      -9.2736      1.00000
     66      -9.2366      1.00000
     67      -9.1364      1.00000
     68      -9.1166      1.00000
     69      -9.1114      1.00000
     70      -8.9396      1.00000
     71      -8.8723      1.00000
     72      -8.6050      1.00000
     73      -8.5916      1.00000
     74      -8.2359      1.00000
     75      -8.1020      1.00000
     76      -7.9116      1.00000
     77      -7.8640      1.00000
     78      -7.7728      1.00000
     79      -7.7578      1.00000
     80      -7.6926      1.00000
     81      -7.5587      1.00000
     82      -7.3401      1.00000
     83      -7.3239      1.00000
     84      -7.2046      1.00000
     85      -7.1236      1.00000
     86      -7.0326      1.00000
     87      -7.0127      1.00000
     88      -6.7045      1.00000
     89      -6.6783      1.00000
     90      -6.6415      1.00000
     91      -6.5985      1.00000
     92      -6.1178      1.00000
     93      -6.0627      1.00000
     94      -6.0313      1.00000
     95      -6.0119      1.00000
     96      -5.7832      1.00000
     97      -4.9725      1.00000
     98      -4.8321      1.00000
     99      -4.7473      1.00000
    100      -4.6797      1.00000
    101      -4.4669      1.00000
    102      -4.2016      1.00000
    103      -4.1720      1.00000
    104      -4.1283      1.00000
    105      -3.7291      1.00000
    106      -3.4846      1.00000
    107      -1.8715      0.00000
    108      -1.8106      0.00000
    109      -1.5257      0.00000
    110      -1.3789      0.00000
    111      -1.3232      0.00000
    112      -1.2898      0.00000
    113      -0.7216      0.00000
    114      -0.3782      0.00000
    115      -0.2516      0.00000
    116       0.0335      0.00000
    117       0.5507      0.00000
    118       0.6957      0.00000
    119       0.7438      0.00000
    120       1.0449      0.00000
    121       1.0974      0.00000
    122       1.1458      0.00000
    123       1.2244      0.00000
    124       1.3745      0.00000
    125       1.5132      0.00000
    126       1.5671      0.00000
    127       1.7101      0.00000
    128       1.8052      0.00000
    129       1.8527      0.00000
    130       1.8783      0.00000
    131       2.0834      0.00000
    132       2.1779      0.00000
    133       2.2304      0.00000
    134       2.2901      0.00000
    135       2.5047      0.00000
    136       2.5789      0.00000
    137       2.6136      0.00000
    138       2.7703      0.00000
    139       2.7848      0.00000
    140       2.8196      0.00000
    141       2.8459      0.00000
    142       2.8830      0.00000
    143       2.9340      0.00000
    144       3.0587      0.00000
    145       3.1472      0.00000
    146       3.2864      0.00000
    147       3.3635      0.00000
    148       3.4129      0.00000
    149       3.4552      0.00000
    150       3.5902      0.00000
    151       3.6345      0.00000
    152       3.6517      0.00000
    153       3.7020      0.00000
    154       3.8949      0.00000
    155       3.9393      0.00000
    156       4.0045      0.00000
    157       4.0513      0.00000
    158       4.2195      0.00000
    159       4.2371      0.00000
    160       4.2607      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2830      1.00000
      2     -22.0777      1.00000
      3     -21.7163      1.00000
      4     -21.6847      1.00000
      5     -20.9790      1.00000
      6     -20.9388      1.00000
      7     -20.6115      1.00000
      8     -20.5752      1.00000
      9     -20.5690      1.00000
     10     -20.0326      1.00000
     11     -19.5032      1.00000
     12     -19.4916      1.00000
     13     -19.3068      1.00000
     14     -19.3017      1.00000
     15     -18.4476      1.00000
     16     -18.4112      1.00000
     17     -17.9224      1.00000
     18     -17.9131      1.00000
     19     -17.7616      1.00000
     20     -17.7262      1.00000
     21     -17.4362      1.00000
     22     -17.4288      1.00000
     23     -17.3413      1.00000
     24     -16.4631      1.00000
     25     -16.4619      1.00000
     26     -15.9672      1.00000
     27     -15.4139      1.00000
     28     -15.4091      1.00000
     29     -15.0963      1.00000
     30     -15.0935      1.00000
     31     -14.8554      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2582      1.00000
     35     -13.4373      1.00000
     36     -13.4050      1.00000
     37     -13.1779      1.00000
     38     -13.1743      1.00000
     39     -12.9818      1.00000
     40     -12.9770      1.00000
     41     -12.6136      1.00000
     42     -12.6100      1.00000
     43     -12.1986      1.00000
     44     -11.5763      1.00000
     45     -11.5427      1.00000
     46     -11.3104      1.00000
     47     -11.2879      1.00000
     48     -11.1429      1.00000
     49     -10.6759      1.00000
     50     -10.6614      1.00000
     51     -10.5508      1.00000
     52     -10.3243      1.00000
     53     -10.3179      1.00000
     54     -10.1693      1.00000
     55     -10.1161      1.00000
     56     -10.1129      1.00000
     57      -9.7977      1.00000
     58      -9.7659      1.00000
     59      -9.7518      1.00000
     60      -9.7002      1.00000
     61      -9.6983      1.00000
     62      -9.6615      1.00000
     63      -9.3557      1.00000
     64      -9.3515      1.00000
     65      -9.3156      1.00000
     66      -9.0402      1.00000
     67      -8.9634      1.00000
     68      -8.9492      1.00000
     69      -8.7989      1.00000
     70      -8.5945      1.00000
     71      -8.5578      1.00000
     72      -8.3978      1.00000
     73      -8.3649      1.00000
     74      -8.3251      1.00000
     75      -8.3075      1.00000
     76      -8.2596      1.00000
     77      -8.2578      1.00000
     78      -8.2367      1.00000
     79      -7.9052      1.00000
     80      -7.6505      1.00000
     81      -7.5474      1.00000
     82      -7.3876      1.00000
     83      -7.3507      1.00000
     84      -7.2326      1.00000
     85      -7.0969      1.00000
     86      -7.0392      1.00000
     87      -6.9342      1.00000
     88      -6.8491      1.00000
     89      -6.6131      1.00000
     90      -6.5605      1.00000
     91      -6.2703      1.00000
     92      -6.0434      1.00000
     93      -5.9518      1.00000
     94      -5.6627      1.00000
     95      -5.6232      1.00000
     96      -5.4623      1.00000
     97      -5.3198      1.00000
     98      -5.2792      1.00000
     99      -5.2143      1.00000
    100      -5.1946      1.00000
    101      -4.5058      1.00000
    102      -4.2053      1.00000
    103      -4.0583      1.00000
    104      -3.9899      1.00000
    105      -3.6942      1.00000
    106      -3.4948      1.00000
    107      -1.9474      0.00000
    108      -1.8983      0.00000
    109      -1.3397      0.00000
    110      -1.0867      0.00000
    111      -1.0597      0.00000
    112      -0.8023      0.00000
    113      -0.6791      0.00000
    114      -0.6486      0.00000
    115      -0.6092      0.00000
    116      -0.1112      0.00000
    117       0.2133      0.00000
    118       0.3262      0.00000
    119       0.6887      0.00000
    120       0.8826      0.00000
    121       1.1232      0.00000
    122       1.1967      0.00000
    123       1.3220      0.00000
    124       1.4114      0.00000
    125       1.5512      0.00000
    126       1.5737      0.00000
    127       1.6713      0.00000
    128       1.8112      0.00000
    129       1.8647      0.00000
    130       2.0360      0.00000
    131       2.0972      0.00000
    132       2.3103      0.00000
    133       2.3492      0.00000
    134       2.3848      0.00000
    135       2.5372      0.00000
    136       2.6224      0.00000
    137       2.7182      0.00000
    138       2.7403      0.00000
    139       2.8086      0.00000
    140       2.8730      0.00000
    141       3.0332      0.00000
    142       3.0470      0.00000
    143       3.1562      0.00000
    144       3.2531      0.00000
    145       3.3442      0.00000
    146       3.3997      0.00000
    147       3.4194      0.00000
    148       3.5597      0.00000
    149       3.5752      0.00000
    150       3.5865      0.00000
    151       3.6482      0.00000
    152       3.6613      0.00000
    153       3.7672      0.00000
    154       3.7797      0.00000
    155       3.7854      0.00000
    156       3.8705      0.00000
    157       3.9117      0.00000
    158       3.9770      0.00000
    159       4.2032      0.00000
    160       4.2121      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9623      1.00000
      3     -21.8937      1.00000
      4     -21.3806      1.00000
      5     -21.3516      1.00000
      6     -20.8393      1.00000
      7     -20.7746      1.00000
      8     -20.6241      1.00000
      9     -20.0774      1.00000
     10     -20.0718      1.00000
     11     -19.7168      1.00000
     12     -19.6925      1.00000
     13     -18.9964      1.00000
     14     -18.9906      1.00000
     15     -18.6406      1.00000
     16     -18.6247      1.00000
     17     -18.4624      1.00000
     18     -17.6753      1.00000
     19     -17.6253      1.00000
     20     -17.6225      1.00000
     21     -17.5809      1.00000
     22     -17.1267      1.00000
     23     -17.1053      1.00000
     24     -16.9625      1.00000
     25     -16.0023      1.00000
     26     -15.9289      1.00000
     27     -15.5860      1.00000
     28     -15.5858      1.00000
     29     -15.2869      1.00000
     30     -14.8645      1.00000
     31     -14.8373      1.00000
     32     -14.5794      1.00000
     33     -14.5380      1.00000
     34     -14.1685      1.00000
     35     -14.1551      1.00000
     36     -13.1490      1.00000
     37     -13.1007      1.00000
     38     -13.0305      1.00000
     39     -13.0204      1.00000
     40     -12.7098      1.00000
     41     -12.7058      1.00000
     42     -12.3413      1.00000
     43     -12.3103      1.00000
     44     -11.6359      1.00000
     45     -11.6225      1.00000
     46     -11.5718      1.00000
     47     -10.9494      1.00000
     48     -10.9165      1.00000
     49     -10.6313      1.00000
     50     -10.6256      1.00000
     51     -10.5470      1.00000
     52     -10.4997      1.00000
     53     -10.4995      1.00000
     54     -10.4411      1.00000
     55     -10.3615      1.00000
     56     -10.0983      1.00000
     57      -9.9034      1.00000
     58      -9.6096      1.00000
     59      -9.5577      1.00000
     60      -9.4522      1.00000
     61      -9.4123      1.00000
     62      -9.4050      1.00000
     63      -9.3785      1.00000
     64      -9.3782      1.00000
     65      -9.2867      1.00000
     66      -9.1688      1.00000
     67      -9.1436      1.00000
     68      -9.1146      1.00000
     69      -8.8647      1.00000
     70      -8.8574      1.00000
     71      -8.8147      1.00000
     72      -8.5970      1.00000
     73      -8.4797      1.00000
     74      -8.1991      1.00000
     75      -8.1638      1.00000
     76      -8.0090      1.00000
     77      -7.9612      1.00000
     78      -7.8521      1.00000
     79      -7.8420      1.00000
     80      -7.7057      1.00000
     81      -7.6981      1.00000
     82      -7.6228      1.00000
     83      -7.4481      1.00000
     84      -7.3016      1.00000
     85      -7.2526      1.00000
     86      -6.9071      1.00000
     87      -6.8935      1.00000
     88      -6.5889      1.00000
     89      -6.5516      1.00000
     90      -6.4086      1.00000
     91      -6.2537      1.00000
     92      -6.2337      1.00000
     93      -6.2055      1.00000
     94      -6.0229      1.00000
     95      -5.5498      1.00000
     96      -5.4887      1.00000
     97      -5.3497      1.00000
     98      -5.2203      1.00000
     99      -4.9802      1.00000
    100      -4.7315      1.00000
    101      -4.6780      1.00000
    102      -4.3867      1.00000
    103      -4.2007      1.00000
    104      -3.8693      1.00000
    105      -3.5476      1.00000
    106      -3.5063      1.00000
    107      -2.2578      0.00000
    108      -1.4574      0.00000
    109      -1.3729      0.00000
    110      -1.2433      0.00000
    111      -1.0993      0.00000
    112      -0.9468      0.00000
    113      -0.8657      0.00000
    114      -0.8053      0.00000
    115      -0.1429      0.00000
    116       0.1088      0.00000
    117       0.2392      0.00000
    118       0.3751      0.00000
    119       0.6462      0.00000
    120       0.8331      0.00000
    121       0.9343      0.00000
    122       1.0599      0.00000
    123       1.2252      0.00000
    124       1.4414      0.00000
    125       1.5446      0.00000
    126       1.7638      0.00000
    127       1.7867      0.00000
    128       1.8633      0.00000
    129       1.9537      0.00000
    130       2.0308      0.00000
    131       2.1643      0.00000
    132       2.1760      0.00000
    133       2.4009      0.00000
    134       2.4260      0.00000
    135       2.5218      0.00000
    136       2.6018      0.00000
    137       2.6341      0.00000
    138       2.6861      0.00000
    139       2.7632      0.00000
    140       2.8341      0.00000
    141       2.9402      0.00000
    142       3.0687      0.00000
    143       3.1914      0.00000
    144       3.1927      0.00000
    145       3.2367      0.00000
    146       3.2969      0.00000
    147       3.3061      0.00000
    148       3.4546      0.00000
    149       3.4856      0.00000
    150       3.6830      0.00000
    151       3.7038      0.00000
    152       3.7102      0.00000
    153       3.8512      0.00000
    154       3.9041      0.00000
    155       3.9353      0.00000
    156       3.9670      0.00000
    157       3.9970      0.00000
    158       4.0295      0.00000
    159       4.0372      0.00000
    160       4.0674      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2097      1.00000
      2     -22.1175      1.00000
      3     -21.9567      1.00000
      4     -21.4042      1.00000
      5     -21.0495      1.00000
      6     -21.0139      1.00000
      7     -20.5004      1.00000
      8     -20.4613      1.00000
      9     -20.2949      1.00000
     10     -20.2758      1.00000
     11     -19.9574      1.00000
     12     -19.8920      1.00000
     13     -18.8824      1.00000
     14     -18.8140      1.00000
     15     -18.3528      1.00000
     16     -18.3070      1.00000
     17     -18.1533      1.00000
     18     -18.1362      1.00000
     19     -17.8269      1.00000
     20     -17.7896      1.00000
     21     -17.2522      1.00000
     22     -17.2421      1.00000
     23     -17.1654      1.00000
     24     -17.1332      1.00000
     25     -16.1102      1.00000
     26     -15.8853      1.00000
     27     -15.8703      1.00000
     28     -15.8348      1.00000
     29     -15.2371      1.00000
     30     -14.5552      1.00000
     31     -14.5276      1.00000
     32     -14.2809      1.00000
     33     -13.9646      1.00000
     34     -13.9570      1.00000
     35     -13.8212      1.00000
     36     -13.8054      1.00000
     37     -13.6151      1.00000
     38     -13.5714      1.00000
     39     -13.3699      1.00000
     40     -12.6347      1.00000
     41     -12.1814      1.00000
     42     -12.1337      1.00000
     43     -12.0721      1.00000
     44     -12.0199      1.00000
     45     -11.6706      1.00000
     46     -11.6573      1.00000
     47     -11.1394      1.00000
     48     -11.1192      1.00000
     49     -10.7948      1.00000
     50     -10.7313      1.00000
     51     -10.5257      1.00000
     52     -10.2099      1.00000
     53     -10.2059      1.00000
     54     -10.1645      1.00000
     55     -10.0186      1.00000
     56     -10.0043      1.00000
     57      -9.9910      1.00000
     58      -9.8021      1.00000
     59      -9.7986      1.00000
     60      -9.7634      1.00000
     61      -9.7588      1.00000
     62      -9.4548      1.00000
     63      -9.4165      1.00000
     64      -9.0797      1.00000
     65      -9.0733      1.00000
     66      -9.0419      1.00000
     67      -8.9559      1.00000
     68      -8.8770      1.00000
     69      -8.7132      1.00000
     70      -8.7008      1.00000
     71      -8.5662      1.00000
     72      -8.5435      1.00000
     73      -8.4986      1.00000
     74      -8.4641      1.00000
     75      -8.4536      1.00000
     76      -8.2597      1.00000
     77      -8.1253      1.00000
     78      -8.0432      1.00000
     79      -7.9170      1.00000
     80      -7.8624      1.00000
     81      -7.6154      1.00000
     82      -7.5491      1.00000
     83      -7.4905      1.00000
     84      -7.2676      1.00000
     85      -6.9968      1.00000
     86      -6.9250      1.00000
     87      -6.8838      1.00000
     88      -6.5334      1.00000
     89      -6.4879      1.00000
     90      -6.4613      1.00000
     91      -6.4107      1.00000
     92      -5.9834      1.00000
     93      -5.8974      1.00000
     94      -5.7849      1.00000
     95      -5.7602      1.00000
     96      -5.4313      1.00000
     97      -5.3292      1.00000
     98      -5.2307      1.00000
     99      -5.2180      1.00000
    100      -5.1892      1.00000
    101      -4.6915      1.00000
    102      -4.4203      1.00000
    103      -4.2071      1.00000
    104      -3.8321      1.00000
    105      -3.5255      1.00000
    106      -3.2755      1.00000
    107      -2.5327      0.00000
    108      -1.4588      0.00000
    109      -1.2685      0.00000
    110      -1.2045      0.00000
    111      -1.1738      0.00000
    112      -0.7218      0.00000
    113      -0.5056      0.00000
    114      -0.4141      0.00000
    115      -0.3410      0.00000
    116      -0.1482      0.00000
    117      -0.0050      0.00000
    118       0.1906      0.00000
    119       0.5588      0.00000
    120       0.6102      0.00000
    121       0.7906      0.00000
    122       0.9028      0.00000
    123       1.1253      0.00000
    124       1.4830      0.00000
    125       1.6363      0.00000
    126       1.8337      0.00000
    127       1.9194      0.00000
    128       2.0938      0.00000
    129       2.1094      0.00000
    130       2.1119      0.00000
    131       2.1813      0.00000
    132       2.2771      0.00000
    133       2.3136      0.00000
    134       2.4687      0.00000
    135       2.5685      0.00000
    136       2.6512      0.00000
    137       2.8449      0.00000
    138       2.8672      0.00000
    139       2.8874      0.00000
    140       2.9890      0.00000
    141       3.0231      0.00000
    142       3.1342      0.00000
    143       3.1670      0.00000
    144       3.2198      0.00000
    145       3.2688      0.00000
    146       3.2781      0.00000
    147       3.2953      0.00000
    148       3.3397      0.00000
    149       3.4029      0.00000
    150       3.4247      0.00000
    151       3.5234      0.00000
    152       3.6087      0.00000
    153       3.6886      0.00000
    154       3.7098      0.00000
    155       3.7644      0.00000
    156       3.8880      0.00000
    157       3.9250      0.00000
    158       3.9954      0.00000
    159       4.1129      0.00000
    160       4.2254      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3169      1.00000
      2     -21.9639      1.00000
      3     -21.8922      1.00000
      4     -21.3843      1.00000
      5     -21.3482      1.00000
      6     -20.8392      1.00000
      7     -20.7731      1.00000
      8     -20.6248      1.00000
      9     -20.0894      1.00000
     10     -20.0610      1.00000
     11     -19.7184      1.00000
     12     -19.6898      1.00000
     13     -19.0096      1.00000
     14     -18.9789      1.00000
     15     -18.6499      1.00000
     16     -18.6173      1.00000
     17     -18.4607      1.00000
     18     -17.6605      1.00000
     19     -17.6469      1.00000
     20     -17.6109      1.00000
     21     -17.5783      1.00000
     22     -17.1374      1.00000
     23     -17.0978      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9232      1.00000
     27     -15.5988      1.00000
     28     -15.5756      1.00000
     29     -15.2803      1.00000
     30     -14.8768      1.00000
     31     -14.8301      1.00000
     32     -14.5750      1.00000
     33     -14.5373      1.00000
     34     -14.1645      1.00000
     35     -14.1603      1.00000
     36     -13.1625      1.00000
     37     -13.0960      1.00000
     38     -13.0234      1.00000
     39     -13.0190      1.00000
     40     -12.7182      1.00000
     41     -12.6952      1.00000
     42     -12.3408      1.00000
     43     -12.3137      1.00000
     44     -11.6324      1.00000
     45     -11.6233      1.00000
     46     -11.5705      1.00000
     47     -10.9412      1.00000
     48     -10.9233      1.00000
     49     -10.6674      1.00000
     50     -10.5904      1.00000
     51     -10.5730      1.00000
     52     -10.5017      1.00000
     53     -10.4887      1.00000
     54     -10.4397      1.00000
     55     -10.3564      1.00000
     56     -10.1028      1.00000
     57      -9.8976      1.00000
     58      -9.6088      1.00000
     59      -9.5516      1.00000
     60      -9.4533      1.00000
     61      -9.4192      1.00000
     62      -9.4095      1.00000
     63      -9.3801      1.00000
     64      -9.3724      1.00000
     65      -9.2673      1.00000
     66      -9.1662      1.00000
     67      -9.1422      1.00000
     68      -9.1166      1.00000
     69      -8.8667      1.00000
     70      -8.8609      1.00000
     71      -8.8018      1.00000
     72      -8.5961      1.00000
     73      -8.5257      1.00000
     74      -8.1940      1.00000
     75      -8.1714      1.00000
     76      -8.0758      1.00000
     77      -7.8584      1.00000
     78      -7.8377      1.00000
     79      -7.8226      1.00000
     80      -7.7111      1.00000
     81      -7.6969      1.00000
     82      -7.5983      1.00000
     83      -7.5283      1.00000
     84      -7.3507      1.00000
     85      -7.1683      1.00000
     86      -6.9064      1.00000
     87      -6.8967      1.00000
     88      -6.5927      1.00000
     89      -6.5518      1.00000
     90      -6.4067      1.00000
     91      -6.3026      1.00000
     92      -6.2478      1.00000
     93      -6.2024      1.00000
     94      -6.0041      1.00000
     95      -5.5314      1.00000
     96      -5.4661      1.00000
     97      -5.3141      1.00000
     98      -5.2102      1.00000
     99      -5.0461      1.00000
    100      -4.7231      1.00000
    101      -4.6715      1.00000
    102      -4.4224      1.00000
    103      -4.1928      1.00000
    104      -3.8409      1.00000
    105      -3.6332      1.00000
    106      -3.4154      1.00000
    107      -2.2940      0.00000
    108      -1.5104      0.00000
    109      -1.2718      0.00000
    110      -1.2642      0.00000
    111      -1.0359      0.00000
    112      -0.9793      0.00000
    113      -0.8698      0.00000
    114      -0.8013      0.00000
    115      -0.2645      0.00000
    116       0.2020      0.00000
    117       0.2374      0.00000
    118       0.3571      0.00000
    119       0.6857      0.00000
    120       0.8916      0.00000
    121       0.9209      0.00000
    122       1.0361      0.00000
    123       1.1613      0.00000
    124       1.5039      0.00000
    125       1.5477      0.00000
    126       1.7020      0.00000
    127       1.7761      0.00000
    128       1.8270      0.00000
    129       1.9497      0.00000
    130       1.9724      0.00000
    131       2.1658      0.00000
    132       2.2541      0.00000
    133       2.4016      0.00000
    134       2.4263      0.00000
    135       2.5277      0.00000
    136       2.5966      0.00000
    137       2.6159      0.00000
    138       2.6911      0.00000
    139       2.7457      0.00000
    140       2.8554      0.00000
    141       3.0293      0.00000
    142       3.0631      0.00000
    143       3.1818      0.00000
    144       3.2218      0.00000
    145       3.2394      0.00000
    146       3.2843      0.00000
    147       3.3257      0.00000
    148       3.4356      0.00000
    149       3.5092      0.00000
    150       3.6885      0.00000
    151       3.7120      0.00000
    152       3.7165      0.00000
    153       3.8205      0.00000
    154       3.8817      0.00000
    155       3.9133      0.00000
    156       3.9741      0.00000
    157       3.9935      0.00000
    158       4.0227      0.00000
    159       4.0534      0.00000
    160       4.0903      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3891      1.00000
      2     -21.8303      1.00000
      3     -21.6411      1.00000
      4     -21.6064      1.00000
      5     -21.2784      1.00000
      6     -21.2318      1.00000
      7     -21.0563      1.00000
      8     -20.1711      1.00000
      9     -20.1254      1.00000
     10     -19.6167      1.00000
     11     -19.5909      1.00000
     12     -19.4155      1.00000
     13     -19.0943      1.00000
     14     -19.0560      1.00000
     15     -19.0517      1.00000
     16     -19.0389      1.00000
     17     -18.3668      1.00000
     18     -18.3473      1.00000
     19     -18.0167      1.00000
     20     -17.0722      1.00000
     21     -17.0239      1.00000
     22     -16.9500      1.00000
     23     -16.9363      1.00000
     24     -16.4753      1.00000
     25     -16.4633      1.00000
     26     -15.6097      1.00000
     27     -15.6092      1.00000
     28     -15.2501      1.00000
     29     -15.2382      1.00000
     30     -15.1912      1.00000
     31     -15.1012      1.00000
     32     -15.0685      1.00000
     33     -14.6987      1.00000
     34     -14.6978      1.00000
     35     -13.7255      1.00000
     36     -13.7254      1.00000
     37     -13.2352      1.00000
     38     -12.6243      1.00000
     39     -12.5806      1.00000
     40     -12.4546      1.00000
     41     -12.4492      1.00000
     42     -12.1059      1.00000
     43     -12.1011      1.00000
     44     -11.7221      1.00000
     45     -11.6838      1.00000
     46     -11.2458      1.00000
     47     -11.2255      1.00000
     48     -11.0176      1.00000
     49     -11.0060      1.00000
     50     -10.9282      1.00000
     51     -10.8998      1.00000
     52     -10.6345      1.00000
     53     -10.1721      1.00000
     54     -10.1493      1.00000
     55     -10.0850      1.00000
     56      -9.9905      1.00000
     57      -9.6966      1.00000
     58      -9.6896      1.00000
     59      -9.6705      1.00000
     60      -9.5929      1.00000
     61      -9.5685      1.00000
     62      -9.5531      1.00000
     63      -9.3129      1.00000
     64      -9.3003      1.00000
     65      -9.2823      1.00000
     66      -9.2443      1.00000
     67      -9.1222      1.00000
     68      -9.1127      1.00000
     69      -9.1108      1.00000
     70      -8.9393      1.00000
     71      -8.8766      1.00000
     72      -8.6062      1.00000
     73      -8.5876      1.00000
     74      -8.2698      1.00000
     75      -8.1016      1.00000
     76      -7.8692      1.00000
     77      -7.8436      1.00000
     78      -7.7898      1.00000
     79      -7.7648      1.00000
     80      -7.7562      1.00000
     81      -7.4454      1.00000
     82      -7.3350      1.00000
     83      -7.3234      1.00000
     84      -7.2659      1.00000
     85      -7.1636      1.00000
     86      -7.0168      1.00000
     87      -6.9870      1.00000
     88      -6.7175      1.00000
     89      -6.6912      1.00000
     90      -6.6318      1.00000
     91      -6.5913      1.00000
     92      -6.1178      1.00000
     93      -6.0604      1.00000
     94      -6.0448      1.00000
     95      -6.0292      1.00000
     96      -5.7486      1.00000
     97      -4.9731      1.00000
     98      -4.8390      1.00000
     99      -4.7097      1.00000
    100      -4.6741      1.00000
    101      -4.4826      1.00000
    102      -4.3490      1.00000
    103      -4.1120      1.00000
    104      -4.0555      1.00000
    105      -3.7543      1.00000
    106      -3.4627      1.00000
    107      -1.9516      0.00000
    108      -1.7730      0.00000
    109      -1.4817      0.00000
    110      -1.3571      0.00000
    111      -1.3376      0.00000
    112      -1.2938      0.00000
    113      -0.6802      0.00000
    114      -0.4736      0.00000
    115      -0.2373      0.00000
    116       0.0481      0.00000
    117       0.5819      0.00000
    118       0.6904      0.00000
    119       0.7670      0.00000
    120       1.0188      0.00000
    121       1.0951      0.00000
    122       1.1739      0.00000
    123       1.2471      0.00000
    124       1.3328      0.00000
    125       1.4216      0.00000
    126       1.5814      0.00000
    127       1.7576      0.00000
    128       1.8381      0.00000
    129       1.8559      0.00000
    130       1.8822      0.00000
    131       2.0288      0.00000
    132       2.2050      0.00000
    133       2.2281      0.00000
    134       2.2693      0.00000
    135       2.4697      0.00000
    136       2.6094      0.00000
    137       2.6275      0.00000
    138       2.7368      0.00000
    139       2.7650      0.00000
    140       2.8326      0.00000
    141       2.8390      0.00000
    142       2.8593      0.00000
    143       2.9360      0.00000
    144       3.0625      0.00000
    145       3.2834      0.00000
    146       3.3495      0.00000
    147       3.3902      0.00000
    148       3.4058      0.00000
    149       3.4135      0.00000
    150       3.5647      0.00000
    151       3.6238      0.00000
    152       3.6675      0.00000
    153       3.7190      0.00000
    154       3.8878      0.00000
    155       3.9064      0.00000
    156       3.9347      0.00000
    157       4.0913      0.00000
    158       4.1848      0.00000
    159       4.2492      0.00000
    160       4.2722      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1189      1.00000
      3     -21.9564      1.00000
      4     -21.4044      1.00000
      5     -21.0457      1.00000
      6     -21.0176      1.00000
      7     -20.4956      1.00000
      8     -20.4660      1.00000
      9     -20.2860      1.00000
     10     -20.2841      1.00000
     11     -19.9563      1.00000
     12     -19.8938      1.00000
     13     -18.8831      1.00000
     14     -18.8162      1.00000
     15     -18.3376      1.00000
     16     -18.3185      1.00000
     17     -18.1492      1.00000
     18     -18.1417      1.00000
     19     -17.8158      1.00000
     20     -17.7977      1.00000
     21     -17.2583      1.00000
     22     -17.2389      1.00000
     23     -17.1606      1.00000
     24     -17.1359      1.00000
     25     -16.1158      1.00000
     26     -15.8806      1.00000
     27     -15.8696      1.00000
     28     -15.8410      1.00000
     29     -15.2315      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2764      1.00000
     33     -13.9747      1.00000
     34     -13.9513      1.00000
     35     -13.8250      1.00000
     36     -13.8029      1.00000
     37     -13.6045      1.00000
     38     -13.5793      1.00000
     39     -13.3698      1.00000
     40     -12.6383      1.00000
     41     -12.1696      1.00000
     42     -12.1432      1.00000
     43     -12.0682      1.00000
     44     -12.0217      1.00000
     45     -11.6649      1.00000
     46     -11.6602      1.00000
     47     -11.1374      1.00000
     48     -11.1266      1.00000
     49     -10.7910      1.00000
     50     -10.7353      1.00000
     51     -10.5324      1.00000
     52     -10.2084      1.00000
     53     -10.2023      1.00000
     54     -10.1702      1.00000
     55     -10.0225      1.00000
     56      -9.9939      1.00000
     57      -9.9903      1.00000
     58      -9.8054      1.00000
     59      -9.7962      1.00000
     60      -9.7656      1.00000
     61      -9.7576      1.00000
     62      -9.4555      1.00000
     63      -9.4163      1.00000
     64      -9.0843      1.00000
     65      -9.0462      1.00000
     66      -9.0255      1.00000
     67      -8.9713      1.00000
     68      -8.8969      1.00000
     69      -8.7084      1.00000
     70      -8.6994      1.00000
     71      -8.5614      1.00000
     72      -8.5505      1.00000
     73      -8.4777      1.00000
     74      -8.4606      1.00000
     75      -8.4570      1.00000
     76      -8.3069      1.00000
     77      -8.0945      1.00000
     78      -8.0894      1.00000
     79      -7.9270      1.00000
     80      -7.8316      1.00000
     81      -7.6008      1.00000
     82      -7.5388      1.00000
     83      -7.4452      1.00000
     84      -7.3129      1.00000
     85      -6.9938      1.00000
     86      -6.9200      1.00000
     87      -6.8822      1.00000
     88      -6.5297      1.00000
     89      -6.5157      1.00000
     90      -6.4818      1.00000
     91      -6.4209      1.00000
     92      -5.9267      1.00000
     93      -5.9057      1.00000
     94      -5.7892      1.00000
     95      -5.7749      1.00000
     96      -5.3694      1.00000
     97      -5.3627      1.00000
     98      -5.2211      1.00000
     99      -5.2159      1.00000
    100      -5.1990      1.00000
    101      -4.7195      1.00000
    102      -4.4403      1.00000
    103      -4.1890      1.00000
    104      -3.8184      1.00000
    105      -3.5621      1.00000
    106      -3.2227      1.00000
    107      -2.5641      0.00000
    108      -1.4640      0.00000
    109      -1.2686      0.00000
    110      -1.1871      0.00000
    111      -1.1854      0.00000
    112      -0.6469      0.00000
    113      -0.5535      0.00000
    114      -0.4166      0.00000
    115      -0.3494      0.00000
    116      -0.0801      0.00000
    117      -0.0652      0.00000
    118       0.1237      0.00000
    119       0.5907      0.00000
    120       0.6237      0.00000
    121       0.8513      0.00000
    122       0.9770      0.00000
    123       0.9991      0.00000
    124       1.4896      0.00000
    125       1.6785      0.00000
    126       1.7452      0.00000
    127       1.8505      0.00000
    128       2.1061      0.00000
    129       2.1112      0.00000
    130       2.1781      0.00000
    131       2.2073      0.00000
    132       2.2454      0.00000
    133       2.3321      0.00000
    134       2.4888      0.00000
    135       2.5073      0.00000
    136       2.6556      0.00000
    137       2.8503      0.00000
    138       2.8574      0.00000
    139       2.9457      0.00000
    140       2.9826      0.00000
    141       3.0283      0.00000
    142       3.1296      0.00000
    143       3.1807      0.00000
    144       3.2333      0.00000
    145       3.2372      0.00000
    146       3.2742      0.00000
    147       3.2962      0.00000
    148       3.3482      0.00000
    149       3.3859      0.00000
    150       3.5340      0.00000
    151       3.5527      0.00000
    152       3.6362      0.00000
    153       3.6447      0.00000
    154       3.6832      0.00000
    155       3.7081      0.00000
    156       3.8893      0.00000
    157       3.9351      0.00000
    158       4.0299      0.00000
    159       4.0581      0.00000
    160       4.1651      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0783      1.00000
      3     -21.7198      1.00000
      4     -21.6810      1.00000
      5     -20.9823      1.00000
      6     -20.9351      1.00000
      7     -20.6110      1.00000
      8     -20.5790      1.00000
      9     -20.5656      1.00000
     10     -20.0321      1.00000
     11     -19.5131      1.00000
     12     -19.4834      1.00000
     13     -19.3115      1.00000
     14     -19.2985      1.00000
     15     -18.4494      1.00000
     16     -18.4067      1.00000
     17     -17.9276      1.00000
     18     -17.9075      1.00000
     19     -17.7657      1.00000
     20     -17.7212      1.00000
     21     -17.4418      1.00000
     22     -17.4235      1.00000
     23     -17.3384      1.00000
     24     -16.4714      1.00000
     25     -16.4611      1.00000
     26     -15.9699      1.00000
     27     -15.4112      1.00000
     28     -15.4103      1.00000
     29     -15.0963      1.00000
     30     -15.0932      1.00000
     31     -14.8536      1.00000
     32     -14.8415      1.00000
     33     -14.2976      1.00000
     34     -14.2543      1.00000
     35     -13.4442      1.00000
     36     -13.4007      1.00000
     37     -13.1756      1.00000
     38     -13.1743      1.00000
     39     -12.9851      1.00000
     40     -12.9762      1.00000
     41     -12.6113      1.00000
     42     -12.6094      1.00000
     43     -12.1967      1.00000
     44     -11.5800      1.00000
     45     -11.5392      1.00000
     46     -11.3140      1.00000
     47     -11.2839      1.00000
     48     -11.1419      1.00000
     49     -10.6920      1.00000
     50     -10.6640      1.00000
     51     -10.5451      1.00000
     52     -10.3222      1.00000
     53     -10.3146      1.00000
     54     -10.1755      1.00000
     55     -10.1223      1.00000
     56     -10.1086      1.00000
     57      -9.8106      1.00000
     58      -9.7523      1.00000
     59      -9.7520      1.00000
     60      -9.7024      1.00000
     61      -9.6986      1.00000
     62      -9.6464      1.00000
     63      -9.3527      1.00000
     64      -9.3513      1.00000
     65      -9.3192      1.00000
     66      -9.0269      1.00000
     67      -8.9619      1.00000
     68      -8.9579      1.00000
     69      -8.7752      1.00000
     70      -8.5931      1.00000
     71      -8.5867      1.00000
     72      -8.4231      1.00000
     73      -8.3496      1.00000
     74      -8.3231      1.00000
     75      -8.3028      1.00000
     76      -8.2670      1.00000
     77      -8.2555      1.00000
     78      -8.2408      1.00000
     79      -7.9216      1.00000
     80      -7.7340      1.00000
     81      -7.3795      1.00000
     82      -7.3501      1.00000
     83      -7.3219      1.00000
     84      -7.2177      1.00000
     85      -7.1598      1.00000
     86      -7.0662      1.00000
     87      -6.9607      1.00000
     88      -6.9060      1.00000
     89      -6.6155      1.00000
     90      -6.5567      1.00000
     91      -6.2733      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6752      1.00000
     95      -5.6484      1.00000
     96      -5.3876      1.00000
     97      -5.3155      1.00000
     98      -5.2940      1.00000
     99      -5.2125      1.00000
    100      -5.2008      1.00000
    101      -4.5095      1.00000
    102      -4.3351      1.00000
    103      -3.9962      1.00000
    104      -3.8861      1.00000
    105      -3.7920      1.00000
    106      -3.4411      1.00000
    107      -2.0356      0.00000
    108      -1.8653      0.00000
    109      -1.2190      0.00000
    110      -1.1855      0.00000
    111      -1.0375      0.00000
    112      -0.7742      0.00000
    113      -0.6793      0.00000
    114      -0.6616      0.00000
    115      -0.6111      0.00000
    116      -0.1053      0.00000
    117       0.2209      0.00000
    118       0.2372      0.00000
    119       0.7645      0.00000
    120       0.9783      0.00000
    121       1.0718      0.00000
    122       1.2370      0.00000
    123       1.2481      0.00000
    124       1.3338      0.00000
    125       1.5713      0.00000
    126       1.5824      0.00000
    127       1.6882      0.00000
    128       1.7967      0.00000
    129       1.9373      0.00000
    130       1.9423      0.00000
    131       2.0570      0.00000
    132       2.2740      0.00000
    133       2.3372      0.00000
    134       2.4125      0.00000
    135       2.5258      0.00000
    136       2.6256      0.00000
    137       2.7533      0.00000
    138       2.8041      0.00000
    139       2.8358      0.00000
    140       2.8586      0.00000
    141       3.0319      0.00000
    142       3.0943      0.00000
    143       3.1407      0.00000
    144       3.2075      0.00000
    145       3.3522      0.00000
    146       3.4010      0.00000
    147       3.4945      0.00000
    148       3.5226      0.00000
    149       3.5830      0.00000
    150       3.6054      0.00000
    151       3.6207      0.00000
    152       3.7292      0.00000
    153       3.7294      0.00000
    154       3.7618      0.00000
    155       3.8044      0.00000
    156       3.8533      0.00000
    157       4.0046      0.00000
    158       4.0803      0.00000
    159       4.1624      0.00000
    160       4.1835      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0427   -7.3915    4.1991   -1.2757   -0.2386   17.5955    0.1461   -0.5320    0.6338   -0.4650
x    -3.0919   -0.0374   -0.0631    0.0618   -0.0094   -2.9776   -0.0107   -0.0071    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0427    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0378
y    -0.0458   -3.2471   -0.5377   -0.1637   -1.1817   -0.6055
z   204.0427    1.1128   -0.2987    0.0466    0.0115    0.0799   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1106    0.0006    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7494
z    -0.2339    0.2172   -0.0490    0.0508   -0.0945    0.0011
 total charge-density along one line
x   212.0000  -10.2215    6.1473   -2.0857   -0.4744   19.5129   -0.9976    0.4751   -0.0453   -0.1259
x    -2.6450   -0.0276   -0.0609    0.0846   -0.0534   -2.2248   -0.0247   -0.0026    0.0052    0.0021
x    -0.0896    0.0060   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2215    6.1473   -2.0857   -0.4744   19.5129   -0.9976    0.4751   -0.0453   -0.1259
y    -2.6450   -0.0276   -0.0609    0.0846   -0.0534   -2.2248   -0.0247   -0.0026    0.0052    0.0021
y    -0.0896    0.0060   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3948  189.0754 -170.3008  154.0305 -140.2947  126.5434 -111.2356   94.9850  -79.2602
z    64.9437  -52.1917   41.0858  -31.9404   24.9576  -19.8253   15.8194  -12.3043    9.0982   -6.3861
z     4.3589   -2.9688    1.9860   -1.2102    0.5876   -0.1508   -0.1026    0.2488   -0.3716    0.4911
z    -0.5660    0.5592   -0.4863    0.4019   -0.3478    0.3234   -0.3014    0.2626   -0.2126    0.1686
z    -0.1398    0.1212   -0.1035    0.0836   -0.0655    0.0534   -0.0467    0.0416   -0.0356    0.0289
z    -0.0236    0.0202   -0.0179    0.0154   -0.0127    0.0101   -0.0080    0.0062   -0.0047    0.0034
z    -0.0024    0.0016   -0.0008    0.0000    0.0006   -0.0007    0.0007   -0.0006    0.0007   -0.0008
z     0.0007   -0.0004    0.0001    0.0000   -0.0001    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0003   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.839   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.101   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.839   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.101   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.057   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.213   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.302   0.000   0.028  -0.191  -0.030   0.000   0.095   0.000   0.000
  0.000   0.213   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.057   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.412   0.000   0.077   0.584  -0.237   0.000   0.059   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.070   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.584   0.000   0.164   1.368  -0.419   0.000   0.284   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.237   0.000  -0.047  -0.419   0.175   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.094   0.000   0.059   0.000   0.053   0.284  -0.035   0.000   0.262   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.070   0.000   0.000   0.000  -0.034   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.260   8.030   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.646
 25        0.864   1.782   0.000   2.645
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.646
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.866  89.419   8.030 142.315
 


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


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


    CHARGE:  VPU time  116.78: CPU time   59.13
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  462.11: CPU time  231.87
    STRESS:  VPU time 1355.47: CPU time  681.66
    FORCOR:  VPU time    8.58: CPU time    8.58
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.15: CPU time    0.16
 d Force = 0.7753437E-06[ 0.213E-06, 0.134E-05]  d Energy = 0.1305621E-04-0.123E-04
 d Force = 0.2166300E-01[ 0.217E-01, 0.217E-01]  d Ewald  = 0.2938531E+00-0.272E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.727087 eV

  energy  without entropy=     -471.727087  energy(sigma->0) =     -471.727087
 

  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    40822.21  40778.76 -47521.15    -37.63      0.00      0.00
  Hartree  40247.24  40229.63 -39506.49    -15.25      0.00      0.00
  E(xc)     -779.41   -779.70   -807.34     -0.25      0.00      0.00
  Local   -83353.55 -83301.45  84342.49     45.11      0.00      0.00
  n-local   -216.81   -215.66   -203.45      0.72      0.00      0.00
  augment     20.06     22.05     17.82      1.73      0.00      0.00
  Kinetic   3162.25   3175.84   3583.89      3.42      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.34     -0.33     -0.29      0.01      0.00      0.00
  in kB       -0.21     -0.20     -0.18      0.01      0.00      0.00
  external pressure =       -0.20 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
    12.346327578  0.000950671  0.000000000     0.080992145  0.046752591  0.000000000
    -6.172347126 10.692704444  0.000000000    -0.000007201  0.093517553  0.000000000
     0.000000000  0.000000000 19.982062168     0.000000000  0.000000000  0.050044885

  length of vectors
    12.346327615 12.346327282 19.982062168     0.093517551  0.093517553  0.050044885


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.461E-05 -.493E-04 -.951E+03   0.435E-05 -.277E-04 0.959E+03   0.191E-20 -.127E-20 -.869E+01   -.911E-09 -.321E-09 -.273E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.113E-03 0.644E-04 -.994E-04
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.113E-03 -.644E-04 -.994E-04
   -.205E+01 0.119E+01 0.146E+02   0.206E+01 -.119E+01 -.146E+02   -.130E-02 0.748E-03 -.297E-01   -.468E-03 0.268E-03 0.547E-03
   0.616E+01 0.686E+01 0.178E+02   -.616E+01 -.688E+01 -.178E+02   0.177E-02 0.198E-01 -.318E-01   0.214E-03 -.107E-02 0.480E-03
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.216E-01 0.751E-02 -.509E-01   0.602E-04 0.125E-03 0.165E-03
   0.470E+01 -.885E+00 0.135E+02   -.471E+01 0.893E+00 -.135E+02   0.158E-01 -.777E-02 -.174E-01   -.172E-03 -.220E-04 0.147E-04
   -.308E+01 -.252E+01 0.125E+02   0.308E+01 0.252E+01 -.125E+02   0.479E-03 0.173E-02 -.155E-01   0.259E-03 0.261E-03 0.258E-03
   0.644E+00 0.393E+01 0.125E+02   -.642E+00 -.393E+01 -.125E+02   -.126E-02 -.128E-02 -.155E-01   -.102E-03 -.360E-03 0.255E-03
   0.243E+01 0.188E+02 0.234E+02   -.242E+01 -.189E+02 -.234E+02   -.687E-04 0.102E+00 -.461E-01   0.360E-03 0.293E-03 0.238E-03
   0.226E+02 0.213E+02 0.419E+02   -.227E+02 -.216E+02 -.418E+02   0.785E-01 0.260E+00 -.621E-01   -.108E-02 -.263E-03 0.357E-04
   0.267E+02 -.343E+01 0.264E+02   -.270E+02 0.353E+01 -.264E+02   0.268E+00 -.108E+00 -.319E-01   -.711E-04 -.101E-03 -.197E-03
   0.911E+01 -.526E+01 0.145E+02   -.915E+01 0.528E+01 -.145E+02   0.427E-01 -.247E-01 -.127E-01   -.203E-03 0.112E-03 -.834E-04
   0.312E+01 -.363E+01 0.135E+02   -.313E+01 0.363E+01 -.135E+02   0.146E-01 -.981E-02 -.174E-01   -.690E-04 0.156E-03 0.776E-05
   -.591E+01 0.136E+02 0.169E+02   0.591E+01 -.137E+02 -.169E+02   -.370E-03 0.705E-01 -.470E-01   -.141E-03 -.441E-03 -.424E-04
   -.118E+02 0.361E+02 0.478E+02   0.119E+02 -.367E+02 -.481E+02   -.288E-01 0.608E+00 0.296E+00   0.227E-03 -.593E-03 -.157E-03
   0.235E+02 -.136E+02 0.930E+02   -.242E+02 0.140E+02 -.950E+02   0.634E+00 -.366E+00 0.203E+01   0.247E-04 -.167E-04 -.197E-03
   0.163E+02 -.214E+02 0.264E+02   -.165E+02 0.216E+02 -.264E+02   0.228E+00 -.178E+00 -.319E-01   0.502E-04 0.105E-03 -.201E-03
   0.118E+01 -.122E+02 0.161E+02   -.118E+01 0.122E+02 -.161E+02   0.429E-02 -.225E-01 -.509E-01   -.755E-04 -.116E-03 0.160E-03
   -.413E+01 0.192E+01 0.123E+02   0.413E+01 -.193E+01 -.123E+02   0.832E-03 0.891E-02 -.420E-01   0.203E-03 -.739E-04 0.523E-04
   -.192E+02 0.111E+02 0.228E+02   0.192E+02 -.111E+02 -.227E+02   -.498E-01 0.288E-01 -.365E-01   0.298E-03 -.169E-03 -.256E-03
   -.371E+02 -.779E+01 0.478E+02   0.377E+02 0.807E+01 -.481E+02   -.541E+00 -.279E+00 0.296E+00   0.630E-03 0.989E-04 -.155E-03
   -.719E+01 -.302E+02 0.419E+02   0.737E+01 0.304E+02 -.418E+02   -.186E+00 -.198E+00 -.621E-01   -.309E-03 0.106E-02 0.342E-04
   -.285E+01 -.877E+01 0.178E+02   0.287E+01 0.878E+01 -.178E+02   -.163E-01 -.114E-01 -.318E-01   0.104E-02 0.348E-03 0.480E-03
   0.138E+01 -.798E+00 0.127E+02   -.138E+01 0.799E+00 -.127E+02   0.172E-02 -.993E-03 -.223E-01   -.245E-03 0.143E-03 0.414E-03
   -.373E+01 0.262E+01 0.123E+02   0.374E+01 -.261E+01 -.123E+02   -.730E-02 -.518E-02 -.420E-01   0.167E-03 -.135E-03 0.562E-04
   -.147E+02 -.167E+01 0.169E+02   0.148E+02 0.171E+01 -.169E+02   -.613E-01 -.349E-01 -.470E-01   0.312E-03 0.341E-03 -.360E-04
   -.151E+02 -.115E+02 0.234E+02   0.152E+02 0.116E+02 -.234E+02   -.887E-01 -.511E-01 -.461E-01   -.720E-04 -.463E-03 0.240E-03
   0.285E+01 0.877E+01 0.178E+02   -.287E+01 -.878E+01 -.178E+02   0.163E-01 0.114E-01 -.318E-01   -.104E-02 -.348E-03 0.480E-03
   0.151E+02 0.115E+02 0.234E+02   -.152E+02 -.116E+02 -.234E+02   0.887E-01 0.511E-01 -.461E-01   0.720E-04 0.463E-03 0.240E-03
   0.147E+02 0.167E+01 0.169E+02   -.148E+02 -.171E+01 -.169E+02   0.613E-01 0.349E-01 -.470E-01   -.312E-03 -.341E-03 -.360E-04
   0.373E+01 -.262E+01 0.123E+02   -.374E+01 0.261E+01 -.123E+02   0.730E-02 0.518E-02 -.420E-01   -.167E-03 0.135E-03 0.562E-04
   -.138E+01 0.798E+00 0.127E+02   0.138E+01 -.799E+00 -.127E+02   -.172E-02 0.993E-03 -.223E-01   0.245E-03 -.143E-03 0.414E-03
   -.118E+01 0.122E+02 0.161E+02   0.118E+01 -.122E+02 -.161E+02   -.429E-02 0.225E-01 -.509E-01   0.755E-04 0.116E-03 0.160E-03
   0.719E+01 0.302E+02 0.419E+02   -.737E+01 -.304E+02 -.418E+02   0.186E+00 0.198E+00 -.621E-01   0.309E-03 -.106E-02 0.342E-04
   0.371E+02 0.779E+01 0.478E+02   -.377E+02 -.807E+01 -.481E+02   0.541E+00 0.279E+00 0.296E+00   -.630E-03 -.989E-04 -.155E-03
   0.192E+02 -.111E+02 0.228E+02   -.192E+02 0.111E+02 -.227E+02   0.498E-01 -.288E-01 -.365E-01   -.298E-03 0.169E-03 -.256E-03
   0.413E+01 -.192E+01 0.123E+02   -.413E+01 0.193E+01 -.123E+02   -.832E-03 -.891E-02 -.420E-01   -.203E-03 0.739E-04 0.523E-04
   -.312E+01 0.363E+01 0.135E+02   0.313E+01 -.363E+01 -.135E+02   -.146E-01 0.981E-02 -.174E-01   0.690E-04 -.156E-03 0.776E-05
   -.163E+02 0.214E+02 0.264E+02   0.165E+02 -.216E+02 -.264E+02   -.228E+00 0.178E+00 -.319E-01   -.502E-04 -.105E-03 -.201E-03
   -.235E+02 0.136E+02 0.930E+02   0.242E+02 -.140E+02 -.950E+02   -.634E+00 0.366E+00 0.203E+01   -.247E-04 0.167E-04 -.197E-03
   0.118E+02 -.361E+02 0.478E+02   -.119E+02 0.367E+02 -.481E+02   0.288E-01 -.608E+00 0.296E+00   -.227E-03 0.593E-03 -.157E-03
   0.591E+01 -.136E+02 0.169E+02   -.591E+01 0.137E+02 -.169E+02   0.370E-03 -.705E-01 -.470E-01   0.141E-03 0.441E-03 -.424E-04
   -.644E+00 -.393E+01 0.125E+02   0.642E+00 0.393E+01 -.125E+02   0.126E-02 0.128E-02 -.155E-01   0.102E-03 0.360E-03 0.255E-03
   -.911E+01 0.526E+01 0.145E+02   0.915E+01 -.528E+01 -.145E+02   -.427E-01 0.247E-01 -.127E-01   0.203E-03 -.112E-03 -.834E-04
   -.267E+02 0.343E+01 0.264E+02   0.270E+02 -.353E+01 -.264E+02   -.268E+00 0.108E+00 -.319E-01   0.711E-04 0.101E-03 -.197E-03
   -.226E+02 -.213E+02 0.419E+02   0.227E+02 0.216E+02 -.418E+02   -.785E-01 -.260E+00 -.621E-01   0.108E-02 0.263E-03 0.357E-04
   -.243E+01 -.188E+02 0.234E+02   0.242E+01 0.189E+02 -.234E+02   0.687E-04 -.102E+00 -.461E-01   -.360E-03 -.293E-03 0.238E-03
   0.205E+01 -.119E+01 0.146E+02   -.206E+01 0.119E+01 -.146E+02   0.130E-02 -.748E-03 -.297E-01   0.468E-03 -.268E-03 0.547E-03
   0.308E+01 0.252E+01 0.125E+02   -.308E+01 -.252E+01 -.125E+02   -.479E-03 -.173E-02 -.155E-01   -.259E-03 -.261E-03 0.258E-03
   -.470E+01 0.885E+00 0.135E+02   0.471E+01 -.893E+00 -.135E+02   -.158E-01 0.777E-02 -.174E-01   0.172E-03 0.220E-04 0.147E-04
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.216E-01 -.751E-02 -.509E-01   -.602E-04 -.125E-03 0.165E-03
   -.616E+01 -.686E+01 0.178E+02   0.616E+01 0.688E+01 -.178E+02   -.177E-02 -.198E-01 -.318E-01   -.214E-03 0.107E-02 0.480E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.299E-03 0.101E+02   -.853E-13 0.142E-13 -.455E-12   -.112E-15 0.132E-15 -.101E+02   -.476E-08 0.232E-08 0.130E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85241      6.05961     12.30992         0.000000      0.000000      0.007362
      1.07535      6.50825     13.56935         0.002318     -0.001338      0.006356
      2.62947      5.61098     13.56935        -0.002318      0.001338      0.006356
     -6.17227     10.69266      9.95764         0.001787     -0.001032     -0.004039
     11.11149      2.13805      9.95622         0.002998     -0.001579     -0.002664
      9.87621      4.27779      9.96940         0.002212      0.000074     -0.000642
      8.64244      6.41667      9.97288         0.000735      0.000682     -0.000261
     -4.93771      8.55417      9.96764         0.000610      0.000139     -0.002166
     -3.70300     10.69275      9.96764         0.000184     -0.000598     -0.002166
      1.23404      2.13698      9.96202         0.001697      0.000202     -0.000218
     -0.00255      4.27134      9.97334        -0.000279      0.000469     -0.000264
     -1.23831      6.41638      9.99027         0.002315      0.000338      0.002334
     -2.46898      8.55456      9.97467         0.000664     -0.000383      0.002282
      4.93821      0.00075      9.97288        -0.000223     -0.000978     -0.000261
      3.70448      2.13703      9.97714         0.000657     -0.001596      0.000514
      2.47018      4.26904     10.00777         0.001090     -0.000505     -0.000412
      1.22931      6.41936     10.01599         0.000625     -0.000361     -0.000952
     -0.00192      8.55787      9.99027         0.000865     -0.002174      0.002334
      7.40742      0.00172      9.96940         0.001042     -0.001952     -0.000642
      6.17304      2.13919      9.97231         0.000327     -0.001129     -0.000340
      4.93945      4.27731      9.98391         0.001562     -0.000902      0.004307
      3.71198      6.41990     10.00777         0.000982     -0.000691     -0.000412
      2.47362      8.56019      9.97334        -0.000545      0.000007     -0.000264
      9.87813      0.00180      9.95622         0.002867     -0.001807     -0.002664
      8.64246      2.13938      9.96352         0.000811     -0.000468     -0.003397
      7.40791      4.27806      9.97231         0.001142      0.000281     -0.000340
      6.17550      6.41697      9.97714         0.001711      0.000229      0.000514
      4.94033      8.55645      9.96202         0.000673     -0.001571     -0.000218
     -0.00096      1.42472      9.95622        -0.002867      0.001807     -0.002664
     -1.23550      3.56277      9.96202        -0.000673      0.001571     -0.000218
     -2.47068      5.70226      9.97714        -0.001711     -0.000229      0.000514
     -3.70309      7.84117      9.97231        -0.001142     -0.000281     -0.000340
     -4.93764      9.97984      9.96352        -0.000811      0.000468     -0.003397
      2.46976      1.42480      9.96940        -0.001042      0.001952     -0.000642
      1.23121      3.55903      9.97334         0.000545     -0.000007     -0.000264
     -0.00715      5.69932     10.00777        -0.000982      0.000691     -0.000412
     -1.23463      7.84191      9.98391        -0.001562      0.000902      0.004307
     -2.46821      9.98004      9.97231        -0.000327      0.001129     -0.000340
      4.93896      1.42577      9.97288         0.000223      0.000978     -0.000261
      3.70674      3.56135      9.99027        -0.000865      0.002174      0.002334
      2.47551      5.69987     10.01599        -0.000625      0.000361     -0.000952
      1.23465      7.85019     10.00777        -0.001090      0.000505     -0.000412
      0.00034      9.98219      9.97714        -0.000657      0.001596      0.000514
      7.40782      1.42648      9.96764        -0.000184      0.000598     -0.002166
      6.17380      3.56466      9.97467        -0.000664      0.000383      0.002282
      4.94313      5.70285      9.99027        -0.002315     -0.000338      0.002334
      3.70737      7.84788      9.97334         0.000279     -0.000469     -0.000264
      2.47078      9.98224      9.96202        -0.001697     -0.000202     -0.000218
      9.87709      1.42656      9.95764        -0.001787      0.001032     -0.004039
      8.64253      3.56506      9.96764        -0.000610     -0.000139     -0.002166
      7.40871      5.70350      9.97288        -0.000735     -0.000682     -0.000261
      6.17494      7.84238      9.96940        -0.002212     -0.000074     -0.000642
      4.93966      9.98213      9.95622        -0.002998      0.001579     -0.002664
 -----------------------------------------------------------------------------------
    total drift:                               -0.001815      0.000299      0.000261


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




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


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  VPU time 4972.52: CPU time 2615.42
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.260   8.030   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.646
 25        0.864   1.782   0.000   2.645
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.646
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.866  89.419   8.030 142.315
 


 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: -3.188692;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):    35220.790
                            User time (sec):    34276.960
                          System time (sec):      943.830
                         Elapsed time (sec):    18205.414
  
                   Maximum memory used (kb):           0.
                   Average memory used (kb):           0.
  
                          Minor page faults:    539474644
                          Major page faults:           10
                 Voluntary context switches:       120648
