 vasp.4.6.27 26Jun05 complex 
 executed on             LinuxIFC date 2012.08.30  23:35:42
 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_d                                
  positions in direct lattice
  velocities in cartesian coordinates
 


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 ion  position               nearest neighbor table
   1  0.433  0.567  0.613-   2 1.78  41 2.13  17 2.13
   2  0.433  0.567  0.702-   3 0.77   1 1.78
   3  0.433  0.567  0.740-   2 0.77
   4  0.000  1.000  0.497-  33 1.42  53 1.43  29 1.43
   5  1.000  0.200  0.497-  29 1.42  49 1.43  30 1.43
   6  1.000  0.400  0.498-  30 1.42  31 1.43  50 1.43
   7  1.000  0.600  0.498-  31 1.42  51 1.43  32 1.43
   8  0.000  0.800  0.498-  32 1.42  33 1.43  52 1.43
   9  0.200  1.000  0.498-  38 1.42  33 1.43  34 1.43
  10  0.200  0.200  0.498-  34 1.42  35 1.42  29 1.43
  11  0.199  0.400  0.501-  36 1.42  30 1.42  35 1.43
  12  0.199  0.600  0.501-  36 1.42  31 1.43  37 1.43
  13  0.200  0.800  0.499-  37 1.42  38 1.43  32 1.43
  14  0.400  0.000  0.498-  43 1.42  39 1.43  38 1.43
  15  0.400  0.200  0.499-  39 1.42  34 1.43  40 1.43
  16  0.399  0.398  0.505-  40 1.42  35 1.42  41 1.45
  17  0.399  0.601  0.512-  42 1.45  36 1.45  41 1.46   1 2.13
  18  0.400  0.801  0.501-  42 1.42  43 1.43  37 1.43
  19  0.600  0.000  0.498-  48 1.42  43 1.43  44 1.43
  20  0.600  0.200  0.498-  44 1.42  39 1.43  45 1.43
  21  0.600  0.400  0.501-  45 1.42  46 1.43  40 1.43
  22  0.602  0.601  0.505-  46 1.42  47 1.42  41 1.45
  23  0.600  0.801  0.501-  42 1.42  48 1.42  47 1.43
  24  0.800  0.000  0.497-  53 1.42  49 1.43  48 1.43
  25  0.800  0.200  0.497-  49 1.42  44 1.43  50 1.43
  26  0.800  0.400  0.498-  50 1.42  51 1.43  45 1.43
  27  0.800  0.600  0.499-  51 1.42  52 1.43  46 1.43
  28  0.800  0.800  0.498-  52 1.42  47 1.42  53 1.43
  29  0.067  0.133  0.497-   5 1.42   4 1.43  10 1.43
  30  0.066  0.333  0.498-   6 1.42  11 1.42   5 1.43
  31  0.066  0.533  0.499-   7 1.42   6 1.43  12 1.43
  32  0.067  0.733  0.498-   8 1.42   7 1.43  13 1.43
  33  0.067  0.933  0.497-   4 1.42   8 1.43   9 1.43
  34  0.267  0.133  0.498-  10 1.42  15 1.43   9 1.43
  35  0.266  0.333  0.501-  16 1.42  10 1.42  11 1.43
  36  0.265  0.533  0.505-  12 1.42  11 1.42  17 1.45
  37  0.267  0.733  0.501-  13 1.42  12 1.43  18 1.43
  38  0.267  0.933  0.498-   9 1.42  14 1.43  13 1.43
  39  0.467  0.133  0.498-  15 1.42  14 1.43  20 1.43
  40  0.466  0.333  0.501-  16 1.42  15 1.43  21 1.43
  41  0.468  0.532  0.512-  16 1.45  22 1.45  17 1.46   1 2.13
  42  0.467  0.735  0.505-  18 1.42  23 1.42  17 1.45
  43  0.467  0.934  0.499-  14 1.42  19 1.43  18 1.43
  44  0.667  0.134  0.498-  20 1.42  25 1.43  19 1.43
  45  0.667  0.333  0.499-  21 1.42  26 1.43  20 1.43
  46  0.667  0.534  0.501-  22 1.42  27 1.43  21 1.43
  47  0.667  0.734  0.501-  22 1.42  28 1.42  23 1.43
  48  0.667  0.934  0.498-  19 1.42  23 1.42  24 1.43
  49  0.867  0.133  0.497-  25 1.42   5 1.43  24 1.43
  50  0.866  0.333  0.498-  26 1.42  25 1.43   6 1.43
  51  0.867  0.533  0.498-  27 1.42   7 1.43  26 1.43
  52  0.867  0.733  0.498-  28 1.42  27 1.43   8 1.43
  53  0.867  0.933  0.497-  24 1.42   4 1.43  28 1.43
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =    12.3616524150
 B/A-ratio  =     1.7294550337
 C/A-ratio  =     1.6150133050
  
  Lattice vectors:
  
 A1 = (  12.3477579866,   0.0080259116,   0.0000000000)
 A2 = (  -6.1669349948,  10.6974809692,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  19.9642331219)
 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
  0.016191  0.009334  0.000000      4.000000
  0.032382  0.018668  0.000000      4.000000
  0.016179  0.028023  0.000000      2.000000
  0.032370  0.037357  0.000000      4.000000
 -0.032395  0.000021  0.000000      4.000000
 -0.016203  0.009355  0.000000      2.000000
  0.032358  0.056046  0.000000      2.000000
 -0.032407  0.018710  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, 12.49 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  18.85, 18.85, 18.65 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  146
 SYSTEM =  g55pt                                   
 POSCAR =  g55ptB_d                                

 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 36.40*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
    12.347757987  0.008025912  0.000000000     0.080956027  0.046669918  0.000000000
    -6.166934995 10.697480969  0.000000000    -0.000060738  0.093444937  0.000000000
     0.000000000  0.000000000 19.964233122     0.000000000  0.000000000  0.050089577

  length of vectors
    12.347760595 12.347760376 19.964233122     0.093444955  0.093444956  0.050089577


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.361486272 -0.007311658  0.000000000     0.080924094  0.046785458  0.000000000
    -6.187081865 10.701701215  0.000000000     0.000055289  0.093475052  0.000000000
     0.000000000  0.000000000 19.948488405     0.000000000  0.000000000  0.050129112

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.01619121  0.00933398  0.00000000       0.160
   0.03238241  0.01866797  0.00000000       0.160
   0.01617906  0.02802297  0.00000000       0.080
   0.03237026  0.03735695  0.00000000       0.160
  -0.03239456  0.00002102  0.00000000       0.160
  -0.01620335  0.00935500  0.00000000       0.080
   0.03235812  0.05604594  0.00000000       0.080
  -0.03240671  0.01871001  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  0.61257654
   0.43333334  0.56666669  0.70191167
   0.43333334  0.56666669  0.74047308
   0.00006479  0.99993521  0.49674217
   0.99993732  0.19986540  0.49692403
   0.99981683  0.39992762  0.49815020
   0.99993828  0.59997746  0.49814899
   0.00022142  0.79998495  0.49769055
   0.20001507  0.99977858  0.49769055
   0.19993585  0.19977780  0.49809222
   0.19949192  0.39978671  0.50076695
   0.19939433  0.59978095  0.50123408
   0.20015263  0.79984738  0.49889659
   0.40002257  0.00006172  0.49814899
   0.39983416  0.19951650  0.49884215
   0.39917363  0.39784139  0.50469349
   0.39916117  0.60083886  0.51223849
   0.40021908  0.80060569  0.50123408
   0.60007241  0.00018317  0.49815020
   0.59996698  0.19996286  0.49823765
   0.60013445  0.39986558  0.50078279
   0.60215864  0.60082640  0.50469349
   0.60021332  0.80050810  0.50076695
   0.80013462  0.00006268  0.49692403
   0.79998087  0.20001914  0.49729503
   0.80003716  0.40003305  0.49823765
   0.80048352  0.60016587  0.49884215
   0.80022221  0.80006417  0.49809222
   0.06653206  0.13327066  0.49692403
   0.06644447  0.33326919  0.49809222
   0.06618317  0.53316751  0.49884215
   0.06662952  0.73330030  0.49823765
   0.06668581  0.93331420  0.49729503
   0.26659429  0.13315017  0.49815020
   0.26645339  0.33282526  0.50076695
   0.26450806  0.53250698  0.50469349
   0.26653225  0.73346778  0.50078279
   0.26669973  0.93337048  0.49823765
   0.46664411  0.13327162  0.49814899
   0.46644760  0.33272767  0.50123408
   0.46750550  0.53249453  0.51223849
   0.46749305  0.73549197  0.50469349
   0.46683252  0.93381684  0.49884215
   0.66665162  0.13355476  0.49769055
   0.66651406  0.33348597  0.49889659
   0.66727236  0.53355243  0.50123408
   0.66717477  0.73354664  0.50076695
   0.66673084  0.93355554  0.49809222
   0.86660188  0.13339813  0.49674217
   0.86644526  0.33334841  0.49769055
   0.86672840  0.53335592  0.49814899
   0.86684985  0.73340574  0.49815020
   0.86672936  0.93346794  0.49692403
 
 position of ions in cartesian coordinates  (Angst):
   1.85609852  6.06538405 12.22962089
   1.85609852  6.06538405 14.01312824
   1.85609852  6.06538405 14.78297725
  -6.16573536 10.69678836  9.91707644
  11.11442706  2.14608168  9.92070718
   9.87916858  4.28624251  9.94518681
   8.64697383  6.42627290  9.94516252
  -4.93072117  8.55782555  9.93601017
  -3.69583190 10.69671766  9.93601017
   1.23674272  2.13872391  9.94402923
  -0.00218073  4.27831184  9.99742822
  -1.23673727  6.41774565 10.00675403
  -2.46117055  8.55795856  9.96008792
   4.93900121  0.00387084  9.94516252
   3.70665012  2.13753299  9.95900091
   2.47543737  4.25910440 10.07581845
   1.22341140  6.43066586 10.22644862
   0.00452506  8.56767624 10.00675403
   7.40841931  0.00677563  9.94518681
   6.17508911  2.14391415  9.94693269
   4.94437000  4.28237101  9.99774446
   3.73005183  6.43216188 10.07581845
   2.47460741  8.56823739  9.99742822
   9.87948206  0.00709238  9.92070718
   8.64446516  2.14612155  9.92811399
   7.41168737  4.28576698  9.94693269
   6.18299279  6.42668762  9.95900091
   4.94700649  8.56509373  9.94402923
  -0.00034965  1.42619428  9.92070718
  -1.23480917  3.56567405  9.94402923
  -2.47079566  5.70408049  9.95900091
  -3.69949006  7.84500081  9.94693269
  -4.93226775  9.98464608  9.92811399
   2.47071338  1.42651102  9.94518681
   1.23759019  3.56253039  9.99742822
  -0.01785441  5.69860623 10.07581845
  -1.23217240  7.84839678  9.99774446
  -2.46289142  9.98685348  9.94693269
   4.94013111  1.42941582  9.94516252
   3.70767217  3.56309154 10.00675403
   2.48878564  5.70010225 10.22644862
   1.23675986  7.87166339 10.07581845
   0.00554721  9.99323463  9.95900091
   7.40802941  1.43404996  9.93601017
   6.17336796  3.57280923  9.96008792
   4.94893450  5.71302246 10.00675403
   3.71437815  7.85245595  9.99742822
   2.47545479  9.99204372  9.94402923
   9.87793268  1.43397927  9.91707644
   8.64291840  3.57294224  9.93601017
   7.41298120  5.71252112  9.94516252
   6.18078664  7.85255119  9.94518681
   4.94552825  9.99271186  9.92070718
 


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


 k-point  1 :  0.00000.00000.0000  plane waves:  66981
 k-point  2 :  0.20000.00000.0000  plane waves:  67033
 k-point  3 :  0.40000.00000.0000  plane waves:  66979
 k-point  4 :  0.20000.20000.0000  plane waves:  66969
 k-point  5 :  0.40000.20000.0000  plane waves:  66946
 k-point  6 :  -.40000.20000.0000  plane waves:  66956
 k-point  7 :  -.20000.20000.0000  plane waves:  67007
 k-point  8 :  0.40000.40000.0000  plane waves:  66940
 k-point  9 :  -.40000.40000.0000  plane waves:  66973

 maximum number of plane-waves:  67033
 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 3086.25 MBYTES are necessary
 For predicting wavefunctions  776.15 MBYTES are necessary
Broyden mixing: mesh for mixing (old mesh)
   NGX = 45   NGY = 45   NGZ = 73
  (NGX  =140   NGY  =140   NGZ  =224)
 gives a total of 147825 points
 charge density for first step will be calculated from the start-wavefunctions


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


 Maximum index for non-local projection operator         5235
 Maximum index for augmentation-charges        12220 (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    0.02


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


    POTLOK:  VPU time    9.08: CPU time    9.08
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1890.31: CPU time  974.71
 BZINTS: Fermi energy: -2.808373;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.80: CPU time   57.83
    MIXING:  VPU time    0.16: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 2014.76: CPU time 1042.15

 eigenvalue-minimisations  :  6352
 total energy-change (2. order) :-0.4691165E+03  (-0.3798714E+02)
 number of electron  212.0000057 magnetization    0.0000000
 augmentation part     8.0915272 magnetization   -0.0000020

 Broyden mixing:
  rms(total) = 0.49751E-01    rms(broyden)= 0.49734E-01
  rms(prec ) = 0.54203E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33940.00256139
  -1/2 Hartree   DENC   =    -40894.37639380
  -V(xc)+E(xc)   XCENC  =       726.64922985
  PAW double counting   =      4063.25274817    -4100.38317814
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.70135701
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.11653594 eV

  energy without entropy =     -469.11653594  energy(sigma->0) =     -469.11653594


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




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


    POTLOK:  VPU time    9.12: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2061.86: CPU time 1065.87
 BZINTS: Fermi energy: -2.838378;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.06: CPU time   56.49
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 2183.60: CPU time 1132.01

 eigenvalue-minimisations  :  7104
 total energy-change (2. order) :-0.1179125E+01  (-0.1181999E+01)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1029415 magnetization   -0.0000004

 Broyden mixing:
  rms(total) = 0.27898E-01    rms(broyden)= 0.27873E-01
  rms(prec ) = 0.29905E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7222
  0.7222

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33940.00256139
  -1/2 Hartree   DENC   =    -40891.93676309
  -V(xc)+E(xc)   XCENC  =       726.52763043
  PAW double counting   =      4065.85165565    -4102.70635232
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2413.47424651
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.29566085 eV

  energy without entropy =     -470.29566085  energy(sigma->0) =     -470.29566085


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




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


    POTLOK:  VPU time    8.74: CPU time    8.73
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 2372.32: CPU time 1224.26
 BZINTS: Fermi energy: -2.788276;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.69: CPU time   58.96
    MIXING:  VPU time    0.19: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 2498.33: CPU time 1292.51

 eigenvalue-minimisations  :  8512
 total energy-change (2. order) :-0.4041812E-01  (-0.4200052E-01)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1170740 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.18106E-01    rms(broyden)= 0.18103E-01
  rms(prec ) = 0.19127E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0787
  1.0787  1.0787

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33940.00256139
  -1/2 Hartree   DENC   =    -40892.97681334
  -V(xc)+E(xc)   XCENC  =       726.57871799
  PAW double counting   =      4070.23237444    -4107.03751127
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2412.57526180
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33607898 eV

  energy without entropy =     -470.33607898  energy(sigma->0) =     -470.33607898


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




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


    POTLOK:  VPU time    8.45: CPU time    8.44
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 2007.91: CPU time 1034.98
 BZINTS: Fermi energy: -2.796258;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.46: CPU time   58.29
    MIXING:  VPU time    0.21: CPU time    0.21
    ------------------------------------------
      LOOP:  VPU time 2132.37: CPU time 1102.23

 eigenvalue-minimisations  :  6912
 total energy-change (2. order) :-0.2644391E-03  (-0.8784666E-03)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1142926 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.90017E-02    rms(broyden)= 0.90015E-02
  rms(prec ) = 0.94246E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3519
  2.3294  0.9026  0.8238

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33940.00256139
  -1/2 Hartree   DENC   =    -40894.44014913
  -V(xc)+E(xc)   XCENC  =       726.64404184
  PAW double counting   =      4075.66739798    -4112.42086607
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2411.22918303
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33634342 eV

  energy without entropy =     -470.33634342  energy(sigma->0) =     -470.33634342


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




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


    POTLOK:  VPU time    9.13: CPU time    9.13
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 2056.25: CPU time 1059.16
 BZINTS: Fermi energy: -2.803158;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.62: CPU time   58.45
    MIXING:  VPU time    0.21: CPU time    0.22
    ------------------------------------------
      LOOP:  VPU time 2181.57: CPU time 1127.29

 eigenvalue-minimisations  :  7104
 total energy-change (2. order) : 0.6200563E-04  (-0.1015177E-03)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1147755 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.18981E-02    rms(broyden)= 0.18969E-02
  rms(prec ) = 0.20762E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3246
  2.3573  0.7563  1.0923  1.0923

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33940.00256139
  -1/2 Hartree   DENC   =    -40895.77819258
  -V(xc)+E(xc)   XCENC  =       726.70125312
  PAW double counting   =      4080.88575010    -4117.57562262
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2410.01188442
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33628141 eV

  energy without entropy =     -470.33628141  energy(sigma->0) =     -470.33628141


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




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


    POTLOK:  VPU time    8.24: CPU time    8.23
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1524.74: CPU time  786.89
 BZINTS: Fermi energy: -2.804102;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1533.33: CPU time  795.45

 eigenvalue-minimisations  :  4712
 total energy-change (2. order) :-0.1372964E-05  (-0.4814454E-05)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1147755 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33940.00256139
  -1/2 Hartree   DENC   =    -40895.75355450
  -V(xc)+E(xc)   XCENC  =       726.69655041
  PAW double counting   =      4080.83615232    -4117.51534024
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2410.04250577
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33628278 eV

  energy without entropy =     -470.33628278  energy(sigma->0) =     -470.33628278


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




 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 -57.8160       2 -41.9907       3 -42.1059       4 -57.9940       5 -57.9903
       6 -57.9918       7 -57.9912       8 -57.9923       9 -57.9923      10 -57.9978
      11 -58.0257      12 -58.0074      13 -58.0008      14 -57.9912      15 -57.9979
      16 -58.1507      17 -58.5609      18 -58.0074      19 -57.9918      20 -57.9938
      21 -58.0082      22 -58.1508      23 -58.0257      24 -57.9903      25 -57.9866
      26 -57.9938      27 -57.9979      28 -57.9978      29 -57.9902      30 -57.9977
      31 -57.9978      32 -57.9937      33 -57.9865      34 -57.9917      35 -58.0256
      36 -58.1507      37 -58.0081      38 -57.9937      39 -57.9911      40 -58.0073
      41 -58.5608      42 -58.1507      43 -57.9978      44 -57.9922      45 -58.0007
      46 -58.0073      47 -58.0256      48 -57.9977      49 -57.9939      50 -57.9922
      51 -57.9911      52 -57.9917      53 -57.9902
 
 
 
 E-fermi :  -2.8041     XC(G=0):  -2.3635     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     -22.0799      1.00000
      2     -21.2449      1.00000
      3     -21.1357      1.00000
      4     -21.1253      1.00000
      5     -21.1184      1.00000
      6     -21.0998      1.00000
      7     -21.0981      1.00000
      8     -19.3823      1.00000
      9     -19.3003      1.00000
     10     -19.2945      1.00000
     11     -19.2929      1.00000
     12     -19.2685      1.00000
     13     -19.2681      1.00000
     14     -18.4748      1.00000
     15     -18.4099      1.00000
     16     -18.4078      1.00000
     17     -18.3852      1.00000
     18     -18.3793      1.00000
     19     -18.3661      1.00000
     20     -16.3483      1.00000
     21     -16.2620      1.00000
     22     -16.2557      1.00000
     23     -16.2510      1.00000
     24     -16.2237      1.00000
     25     -16.2149      1.00000
     26     -15.3258      1.00000
     27     -15.2590      1.00000
     28     -15.2429      1.00000
     29     -15.2310      1.00000
     30     -15.2229      1.00000
     31     -15.2092      1.00000
     32     -13.9636      1.00000
     33     -13.9256      1.00000
     34     -13.9022      1.00000
     35     -13.8972      1.00000
     36     -13.8895      1.00000
     37     -13.8766      1.00000
     38     -11.7524      1.00000
     39     -11.5714      1.00000
     40     -11.5382      1.00000
     41     -11.5319      1.00000
     42     -11.5083      1.00000
     43     -11.5051      1.00000
     44     -11.4411      1.00000
     45     -11.4362      1.00000
     46     -11.4100      1.00000
     47     -11.3923      1.00000
     48     -11.3911      1.00000
     49     -11.3887      1.00000
     50     -11.1339      1.00000
     51     -10.2601      1.00000
     52     -10.0796      1.00000
     53     -10.0570      1.00000
     54     -10.0539      1.00000
     55     -10.0332      1.00000
     56     -10.0156      1.00000
     57      -9.9950      1.00000
     58      -9.4133      1.00000
     59      -9.1386      1.00000
     60      -9.0989      1.00000
     61      -9.0566      1.00000
     62      -9.0382      1.00000
     63      -9.0356      1.00000
     64      -8.8489      1.00000
     65      -8.7866      1.00000
     66      -8.7833      1.00000
     67      -8.7675      1.00000
     68      -8.7608      1.00000
     69      -8.7377      1.00000
     70      -8.7366      1.00000
     71      -8.7308      1.00000
     72      -8.7302      1.00000
     73      -8.7096      1.00000
     74      -8.6934      1.00000
     75      -8.6896      1.00000
     76      -7.4012      1.00000
     77      -7.2341      1.00000
     78      -7.1839      1.00000
     79      -7.1523      1.00000
     80      -7.1101      1.00000
     81      -7.1058      1.00000
     82      -7.0851      1.00000
     83      -7.0771      1.00000
     84      -6.9422      1.00000
     85      -6.9265      1.00000
     86      -6.9265      1.00000
     87      -6.9156      1.00000
     88      -6.3236      1.00000
     89      -6.2947      1.00000
     90      -6.1042      1.00000
     91      -6.0758      1.00000
     92      -6.0339      1.00000
     93      -6.0217      1.00000
     94      -5.6662      1.00000
     95      -5.5987      1.00000
     96      -4.9853      1.00000
     97      -4.6278      1.00000
     98      -4.2744      1.00000
     99      -4.2556      1.00000
    100      -4.0751      1.00000
    101      -4.0546      1.00000
    102      -4.0278      1.00000
    103      -3.8821      1.00000
    104      -3.5598      1.00000
    105      -3.4714      1.00000
    106      -3.4340      1.00000
    107      -1.9062      0.00000
    108      -1.3008      0.00000
    109      -1.2575      0.00000
    110      -1.2540      0.00000
    111      -1.2468      0.00000
    112      -1.2089      0.00000
    113      -1.0551      0.00000
    114       0.3626      0.00000
    115       0.4594      0.00000
    116       0.5280      0.00000
    117       0.5646      0.00000
    118       0.5888      0.00000
    119       0.5899      0.00000
    120       0.7497      0.00000
    121       1.2463      0.00000
    122       1.3185      0.00000
    123       1.3206      0.00000
    124       1.6528      0.00000
    125       1.9161      0.00000
    126       1.9303      0.00000
    127       1.9421      0.00000
    128       2.0140      0.00000
    129       2.1668      0.00000
    130       2.2891      0.00000
    131       2.2910      0.00000
    132       2.2923      0.00000
    133       2.2979      0.00000
    134       2.3106      0.00000
    135       2.3366      0.00000
    136       2.3950      0.00000
    137       2.5070      0.00000
    138       2.6346      0.00000
    139       2.6615      0.00000
    140       2.6961      0.00000
    141       2.7659      0.00000
    142       2.8429      0.00000
    143       2.8621      0.00000
    144       2.9878      0.00000
    145       3.0042      0.00000
    146       3.0287      0.00000
    147       3.0380      0.00000
    148       3.2597      0.00000
    149       3.4534      0.00000
    150       3.5781      0.00000
    151       3.7440      0.00000
    152       3.7579      0.00000
    153       3.9003      0.00000
    154       3.9239      0.00000
    155       3.9446      0.00000
    156       3.9657      0.00000
    157       4.1618      0.00000
    158       4.1726      0.00000
    159       4.3053      0.00000
    160       4.3215      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0429      1.00000
      2     -21.4836      1.00000
      3     -21.3009      1.00000
      4     -21.2684      1.00000
      5     -20.9321      1.00000
      6     -20.8951      1.00000
      7     -20.7216      1.00000
      8     -19.8304      1.00000
      9     -19.7905      1.00000
     10     -19.2788      1.00000
     11     -19.2482      1.00000
     12     -19.0850      1.00000
     13     -18.7605      1.00000
     14     -18.7204      1.00000
     15     -18.7136      1.00000
     16     -18.6982      1.00000
     17     -18.0350      1.00000
     18     -18.0060      1.00000
     19     -17.6913      1.00000
     20     -16.7538      1.00000
     21     -16.6971      1.00000
     22     -16.6295      1.00000
     23     -16.5905      1.00000
     24     -16.1468      1.00000
     25     -16.1112      1.00000
     26     -15.3053      1.00000
     27     -15.2571      1.00000
     28     -14.9511      1.00000
     29     -14.9031      1.00000
     30     -14.8424      1.00000
     31     -14.7634      1.00000
     32     -14.7292      1.00000
     33     -14.3762      1.00000
     34     -14.3569      1.00000
     35     -13.4136      1.00000
     36     -13.3887      1.00000
     37     -12.9098      1.00000
     38     -12.3137      1.00000
     39     -12.2403      1.00000
     40     -12.1271      1.00000
     41     -12.1085      1.00000
     42     -11.8327      1.00000
     43     -11.7812      1.00000
     44     -11.4411      1.00000
     45     -11.3491      1.00000
     46     -11.2023      1.00000
     47     -10.9046      1.00000
     48     -10.8794      1.00000
     49     -10.6899      1.00000
     50     -10.6736      1.00000
     51     -10.6048      1.00000
     52     -10.5638      1.00000
     53     -10.1920      1.00000
     54      -9.8261      1.00000
     55      -9.8132      1.00000
     56      -9.7727      1.00000
     57      -9.5779      1.00000
     58      -9.4105      1.00000
     59      -9.3674      1.00000
     60      -9.3140      1.00000
     61      -9.2834      1.00000
     62      -9.2503      1.00000
     63      -9.2016      1.00000
     64      -8.9904      1.00000
     65      -8.9748      1.00000
     66      -8.9255      1.00000
     67      -8.8820      1.00000
     68      -8.8191      1.00000
     69      -8.7856      1.00000
     70      -8.7720      1.00000
     71      -8.6125      1.00000
     72      -8.5438      1.00000
     73      -8.3012      1.00000
     74      -8.2726      1.00000
     75      -7.7822      1.00000
     76      -7.7229      1.00000
     77      -7.5679      1.00000
     78      -7.5367      1.00000
     79      -7.4377      1.00000
     80      -7.4288      1.00000
     81      -7.0710      1.00000
     82      -7.0465      1.00000
     83      -7.0188      1.00000
     84      -6.9793      1.00000
     85      -6.7966      1.00000
     86      -6.6991      1.00000
     87      -6.5522      1.00000
     88      -6.4639      1.00000
     89      -6.3699      1.00000
     90      -6.3062      1.00000
     91      -5.8321      1.00000
     92      -5.8240      1.00000
     93      -5.7963      1.00000
     94      -5.6932      1.00000
     95      -5.4850      1.00000
     96      -5.0469      1.00000
     97      -4.7496      1.00000
     98      -4.4684      1.00000
     99      -4.3745      1.00000
    100      -4.2086      1.00000
    101      -4.1658      1.00000
    102      -4.0233      1.00000
    103      -3.8322      1.00000
    104      -3.5269      1.00000
    105      -3.4523      1.00000
    106      -3.4061      1.00000
    107      -1.9251      0.00000
    108      -1.4354      0.00000
    109      -1.3220      0.00000
    110      -1.0021      0.00000
    111      -0.9808      0.00000
    112      -0.9466      0.00000
    113      -0.9165      0.00000
    114      -0.3071      0.00000
    115       0.0629      0.00000
    116       0.0961      0.00000
    117       0.7509      0.00000
    118       0.8705      0.00000
    119       1.0080      0.00000
    120       1.0739      0.00000
    121       1.2820      0.00000
    122       1.3574      0.00000
    123       1.4258      0.00000
    124       1.4964      0.00000
    125       1.5580      0.00000
    126       1.6712      0.00000
    127       1.7589      0.00000
    128       1.9586      0.00000
    129       1.9772      0.00000
    130       2.1131      0.00000
    131       2.1964      0.00000
    132       2.2548      0.00000
    133       2.3198      0.00000
    134       2.3624      0.00000
    135       2.4056      0.00000
    136       2.5338      0.00000
    137       2.7120      0.00000
    138       2.7518      0.00000
    139       2.7654      0.00000
    140       2.8169      0.00000
    141       2.8735      0.00000
    142       3.0533      0.00000
    143       3.1053      0.00000
    144       3.1152      0.00000
    145       3.1505      0.00000
    146       3.1850      0.00000
    147       3.2493      0.00000
    148       3.4118      0.00000
    149       3.4684      0.00000
    150       3.4930      0.00000
    151       3.5883      0.00000
    152       3.5988      0.00000
    153       3.7792      0.00000
    154       3.8456      0.00000
    155       3.9228      0.00000
    156       4.0214      0.00000
    157       4.1066      0.00000
    158       4.1310      0.00000
    159       4.1871      0.00000
    160       4.3943      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9345      1.00000
      2     -21.7359      1.00000
      3     -21.3772      1.00000
      4     -21.3430      1.00000
      5     -20.6390      1.00000
      6     -20.5990      1.00000
      7     -20.2763      1.00000
      8     -20.2381      1.00000
      9     -20.2264      1.00000
     10     -19.6973      1.00000
     11     -19.1753      1.00000
     12     -19.1410      1.00000
     13     -18.9759      1.00000
     14     -18.9560      1.00000
     15     -18.1194      1.00000
     16     -18.0750      1.00000
     17     -17.6032      1.00000
     18     -17.5668      1.00000
     19     -17.4322      1.00000
     20     -17.3915      1.00000
     21     -17.1173      1.00000
     22     -17.0819      1.00000
     23     -17.0187      1.00000
     24     -16.1365      1.00000
     25     -16.1137      1.00000
     26     -15.6209      1.00000
     27     -15.1001      1.00000
     28     -15.0627      1.00000
     29     -14.7796      1.00000
     30     -14.7504      1.00000
     31     -14.5525      1.00000
     32     -14.5184      1.00000
     33     -13.9628      1.00000
     34     -13.9176      1.00000
     35     -13.1220      1.00000
     36     -13.0635      1.00000
     37     -12.8706      1.00000
     38     -12.8411      1.00000
     39     -12.6430      1.00000
     40     -12.6284      1.00000
     41     -12.3136      1.00000
     42     -12.2806      1.00000
     43     -11.8804      1.00000
     44     -11.3712      1.00000
     45     -11.2053      1.00000
     46     -11.1541      1.00000
     47     -10.9622      1.00000
     48     -10.9494      1.00000
     49     -10.8112      1.00000
     50     -10.3539      1.00000
     51     -10.3244      1.00000
     52     -10.0958      1.00000
     53      -9.9937      1.00000
     54      -9.9839      1.00000
     55      -9.8451      1.00000
     56      -9.7867      1.00000
     57      -9.7775      1.00000
     58      -9.4626      1.00000
     59      -9.4485      1.00000
     60      -9.3983      1.00000
     61      -9.3687      1.00000
     62      -9.3563      1.00000
     63      -9.3229      1.00000
     64      -9.0343      1.00000
     65      -9.0196      1.00000
     66      -8.9849      1.00000
     67      -8.7108      1.00000
     68      -8.6324      1.00000
     69      -8.5488      1.00000
     70      -8.4777      1.00000
     71      -8.2743      1.00000
     72      -8.1926      1.00000
     73      -8.0725      1.00000
     74      -8.0583      1.00000
     75      -8.0152      1.00000
     76      -7.9642      1.00000
     77      -7.9361      1.00000
     78      -7.9340      1.00000
     79      -7.9051      1.00000
     80      -7.4729      1.00000
     81      -7.0663      1.00000
     82      -7.0236      1.00000
     83      -7.0143      1.00000
     84      -6.9193      1.00000
     85      -6.8929      1.00000
     86      -6.6578      1.00000
     87      -6.6558      1.00000
     88      -6.3086      1.00000
     89      -6.2397      1.00000
     90      -5.9792      1.00000
     91      -5.9108      1.00000
     92      -5.7408      1.00000
     93      -5.5207      1.00000
     94      -5.3993      1.00000
     95      -5.2365      1.00000
     96      -5.0628      1.00000
     97      -5.0131      1.00000
     98      -4.9131      1.00000
     99      -4.8958      1.00000
    100      -4.3165      1.00000
    101      -4.1667      1.00000
    102      -4.0642      1.00000
    103      -3.7725      1.00000
    104      -3.5646      1.00000
    105      -3.3594      1.00000
    106      -3.3440      1.00000
    107      -1.9470      0.00000
    108      -1.5374      0.00000
    109      -1.3470      0.00000
    110      -0.8229      0.00000
    111      -0.6976      0.00000
    112      -0.6751      0.00000
    113      -0.3419      0.00000
    114      -0.3177      0.00000
    115      -0.3069      0.00000
    116      -0.2745      0.00000
    117       0.4532      0.00000
    118       0.5442      0.00000
    119       0.8152      0.00000
    120       1.0717      0.00000
    121       1.1259      0.00000
    122       1.4082      0.00000
    123       1.4979      0.00000
    124       1.5516      0.00000
    125       1.5989      0.00000
    126       1.6972      0.00000
    127       1.8628      0.00000
    128       1.8892      0.00000
    129       1.9384      0.00000
    130       2.0510      0.00000
    131       2.0913      0.00000
    132       2.1832      0.00000
    133       2.3470      0.00000
    134       2.5117      0.00000
    135       2.6240      0.00000
    136       2.6527      0.00000
    137       2.7082      0.00000
    138       2.7535      0.00000
    139       2.8919      0.00000
    140       2.9585      0.00000
    141       3.0197      0.00000
    142       3.1883      0.00000
    143       3.2167      0.00000
    144       3.2460      0.00000
    145       3.3662      0.00000
    146       3.4032      0.00000
    147       3.4614      0.00000
    148       3.5295      0.00000
    149       3.6099      0.00000
    150       3.6415      0.00000
    151       3.6712      0.00000
    152       3.7063      0.00000
    153       3.8266      0.00000
    154       3.8908      0.00000
    155       3.9249      0.00000
    156       3.9380      0.00000
    157       4.0037      0.00000
    158       4.0749      0.00000
    159       4.0993      0.00000
    160       4.1392      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9699      1.00000
      2     -21.6109      1.00000
      3     -21.5623      1.00000
      4     -21.0364      1.00000
      5     -21.0132      1.00000
      6     -20.4934      1.00000
      7     -20.4460      1.00000
      8     -20.2871      1.00000
      9     -19.7337      1.00000
     10     -19.7323      1.00000
     11     -19.3806      1.00000
     12     -19.3591      1.00000
     13     -18.6573      1.00000
     14     -18.6540      1.00000
     15     -18.2979      1.00000
     16     -18.2878      1.00000
     17     -18.1310      1.00000
     18     -17.3615      1.00000
     19     -17.2999      1.00000
     20     -17.2876      1.00000
     21     -17.2617      1.00000
     22     -16.7858      1.00000
     23     -16.7728      1.00000
     24     -16.6088      1.00000
     25     -15.6453      1.00000
     26     -15.6223      1.00000
     27     -15.2491      1.00000
     28     -15.2386      1.00000
     29     -14.9934      1.00000
     30     -14.5219      1.00000
     31     -14.4923      1.00000
     32     -14.2582      1.00000
     33     -14.2194      1.00000
     34     -13.8402      1.00000
     35     -13.8339      1.00000
     36     -12.7969      1.00000
     37     -12.7598      1.00000
     38     -12.7219      1.00000
     39     -12.7003      1.00000
     40     -12.3902      1.00000
     41     -12.3820      1.00000
     42     -12.0024      1.00000
     43     -11.9767      1.00000
     44     -11.4466      1.00000
     45     -11.3090      1.00000
     46     -11.2534      1.00000
     47     -11.1266      1.00000
     48     -10.6070      1.00000
     49     -10.5931      1.00000
     50     -10.3007      1.00000
     51     -10.2897      1.00000
     52     -10.1653      1.00000
     53     -10.1643      1.00000
     54     -10.1004      1.00000
     55     -10.0964      1.00000
     56     -10.0265      1.00000
     57      -9.7112      1.00000
     58      -9.5828      1.00000
     59      -9.2885      1.00000
     60      -9.2321      1.00000
     61      -9.1525      1.00000
     62      -9.0809      1.00000
     63      -9.0643      1.00000
     64      -9.0443      1.00000
     65      -8.9989      1.00000
     66      -8.9676      1.00000
     67      -8.8671      1.00000
     68      -8.8337      1.00000
     69      -8.7979      1.00000
     70      -8.5336      1.00000
     71      -8.5264      1.00000
     72      -8.4008      1.00000
     73      -8.2835      1.00000
     74      -8.1305      1.00000
     75      -7.8866      1.00000
     76      -7.8499      1.00000
     77      -7.5981      1.00000
     78      -7.5304      1.00000
     79      -7.4978      1.00000
     80      -7.4971      1.00000
     81      -7.3906      1.00000
     82      -7.3766      1.00000
     83      -7.1352      1.00000
     84      -7.0796      1.00000
     85      -6.6018      1.00000
     86      -6.5815      1.00000
     87      -6.4791      1.00000
     88      -6.3527      1.00000
     89      -6.1050      1.00000
     90      -6.0394      1.00000
     91      -5.9821      1.00000
     92      -5.9031      1.00000
     93      -5.7407      1.00000
     94      -5.3500      1.00000
     95      -5.1746      1.00000
     96      -5.1221      1.00000
     97      -5.0651      1.00000
     98      -4.9138      1.00000
     99      -4.4412      1.00000
    100      -4.3987      1.00000
    101      -4.1652      1.00000
    102      -4.0353      1.00000
    103      -3.9419      1.00000
    104      -3.5579      1.00000
    105      -3.4928      1.00000
    106      -3.0443      1.00000
    107      -2.1372      0.00000
    108      -1.6093      0.00000
    109      -0.9526      0.00000
    110      -0.9096      0.00000
    111      -0.8460      0.00000
    112      -0.6304      0.00000
    113      -0.6206      0.00000
    114      -0.4859      0.00000
    115      -0.4731      0.00000
    116       0.4822      0.00000
    117       0.4851      0.00000
    118       0.5965      0.00000
    119       0.7839      0.00000
    120       1.0238      0.00000
    121       1.0761      0.00000
    122       1.2852      0.00000
    123       1.2951      0.00000
    124       1.4674      0.00000
    125       1.6279      0.00000
    126       1.7080      0.00000
    127       1.8365      0.00000
    128       2.0094      0.00000
    129       2.0397      0.00000
    130       2.0886      0.00000
    131       2.1643      0.00000
    132       2.3009      0.00000
    133       2.3553      0.00000
    134       2.4431      0.00000
    135       2.5388      0.00000
    136       2.7355      0.00000
    137       2.7908      0.00000
    138       2.8291      0.00000
    139       2.8796      0.00000
    140       2.8997      0.00000
    141       3.0546      0.00000
    142       3.0560      0.00000
    143       3.1262      0.00000
    144       3.1533      0.00000
    145       3.2515      0.00000
    146       3.2950      0.00000
    147       3.3619      0.00000
    148       3.4747      0.00000
    149       3.5633      0.00000
    150       3.5932      0.00000
    151       3.6630      0.00000
    152       3.6912      0.00000
    153       3.7974      0.00000
    154       3.8935      0.00000
    155       3.9508      0.00000
    156       3.9779      0.00000
    157       4.0094      0.00000
    158       4.0955      0.00000
    159       4.1652      0.00000
    160       4.1804      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8538      1.00000
      2     -21.7816      1.00000
      3     -21.6184      1.00000
      4     -21.0633      1.00000
      5     -20.7127      1.00000
      6     -20.6710      1.00000
      7     -20.1643      1.00000
      8     -20.1179      1.00000
      9     -19.9650      1.00000
     10     -19.9351      1.00000
     11     -19.6143      1.00000
     12     -19.5564      1.00000
     13     -18.5423      1.00000
     14     -18.4783      1.00000
     15     -18.0310      1.00000
     16     -17.9656      1.00000
     17     -17.8273      1.00000
     18     -17.7937      1.00000
     19     -17.5026      1.00000
     20     -17.4500      1.00000
     21     -16.9389      1.00000
     22     -16.8895      1.00000
     23     -16.8474      1.00000
     24     -16.7950      1.00000
     25     -15.7590      1.00000
     26     -15.5729      1.00000
     27     -15.5242      1.00000
     28     -15.4922      1.00000
     29     -14.9240      1.00000
     30     -14.2378      1.00000
     31     -14.1882      1.00000
     32     -13.9689      1.00000
     33     -13.6397      1.00000
     34     -13.6205      1.00000
     35     -13.5060      1.00000
     36     -13.4577      1.00000
     37     -13.2997      1.00000
     38     -13.2385      1.00000
     39     -13.0271      1.00000
     40     -12.2879      1.00000
     41     -11.9032      1.00000
     42     -11.8053      1.00000
     43     -11.7576      1.00000
     44     -11.6867      1.00000
     45     -11.3991      1.00000
     46     -11.3261      1.00000
     47     -11.1831      1.00000
     48     -10.8042      1.00000
     49     -10.7857      1.00000
     50     -10.4588      1.00000
     51     -10.4013      1.00000
     52     -10.0306      1.00000
     53      -9.8958      1.00000
     54      -9.8754      1.00000
     55      -9.8369      1.00000
     56      -9.6918      1.00000
     57      -9.6815      1.00000
     58      -9.6464      1.00000
     59      -9.4846      1.00000
     60      -9.4724      1.00000
     61      -9.4462      1.00000
     62      -9.4189      1.00000
     63      -9.1266      1.00000
     64      -9.0357      1.00000
     65      -8.7672      1.00000
     66      -8.7438      1.00000
     67      -8.7042      1.00000
     68      -8.6045      1.00000
     69      -8.5454      1.00000
     70      -8.4020      1.00000
     71      -8.3709      1.00000
     72      -8.2553      1.00000
     73      -8.2143      1.00000
     74      -8.1693      1.00000
     75      -8.1285      1.00000
     76      -8.0425      1.00000
     77      -7.9112      1.00000
     78      -7.7706      1.00000
     79      -7.7073      1.00000
     80      -7.5767      1.00000
     81      -7.4389      1.00000
     82      -7.2903      1.00000
     83      -7.2161      1.00000
     84      -6.6974      1.00000
     85      -6.6033      1.00000
     86      -6.5483      1.00000
     87      -6.4519      1.00000
     88      -6.2461      1.00000
     89      -6.1692      1.00000
     90      -6.1004      1.00000
     91      -5.9078      1.00000
     92      -5.6777      1.00000
     93      -5.5105      1.00000
     94      -5.4791      1.00000
     95      -5.2736      1.00000
     96      -5.1217      1.00000
     97      -4.9448      1.00000
     98      -4.9129      1.00000
     99      -4.9012      1.00000
    100      -4.4836      1.00000
    101      -4.1651      1.00000
    102      -4.0482      1.00000
    103      -3.9270      1.00000
    104      -3.5764      1.00000
    105      -3.5181      1.00000
    106      -2.8550      1.00000
    107      -2.2539      0.00000
    108      -1.6838      0.00000
    109      -0.9027      0.00000
    110      -0.8737      0.00000
    111      -0.8530      0.00000
    112      -0.7956      0.00000
    113      -0.1993      0.00000
    114      -0.1603      0.00000
    115      -0.0130      0.00000
    116      -0.0048      0.00000
    117       0.2450      0.00000
    118       0.3291      0.00000
    119       0.7664      0.00000
    120       0.8504      0.00000
    121       0.9314      0.00000
    122       1.0496      0.00000
    123       1.2755      0.00000
    124       1.5117      0.00000
    125       1.5786      0.00000
    126       1.6674      0.00000
    127       1.9423      0.00000
    128       2.0268      0.00000
    129       2.0623      0.00000
    130       2.1220      0.00000
    131       2.2977      0.00000
    132       2.3658      0.00000
    133       2.4782      0.00000
    134       2.5771      0.00000
    135       2.6608      0.00000
    136       2.7525      0.00000
    137       2.9234      0.00000
    138       2.9846      0.00000
    139       3.0220      0.00000
    140       3.0520      0.00000
    141       3.1412      0.00000
    142       3.1616      0.00000
    143       3.1788      0.00000
    144       3.2130      0.00000
    145       3.3202      0.00000
    146       3.3861      0.00000
    147       3.4376      0.00000
    148       3.4594      0.00000
    149       3.4946      0.00000
    150       3.5406      0.00000
    151       3.5752      0.00000
    152       3.5990      0.00000
    153       3.6261      0.00000
    154       3.6890      0.00000
    155       3.7852      0.00000
    156       3.8904      0.00000
    157       3.9457      0.00000
    158       4.0393      0.00000
    159       4.1787      0.00000
    160       4.2090      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9692      1.00000
      2     -21.6172      1.00000
      3     -21.5561      1.00000
      4     -21.0470      1.00000
      5     -21.0055      1.00000
      6     -20.4970      1.00000
      7     -20.4378      1.00000
      8     -20.2828      1.00000
      9     -19.7584      1.00000
     10     -19.7174      1.00000
     11     -19.3859      1.00000
     12     -19.3482      1.00000
     13     -18.6807      1.00000
     14     -18.6358      1.00000
     15     -18.3249      1.00000
     16     -18.2791      1.00000
     17     -18.1221      1.00000
     18     -17.3446      1.00000
     19     -17.2914      1.00000
     20     -17.2711      1.00000
     21     -17.2431      1.00000
     22     -16.8174      1.00000
     23     -16.7577      1.00000
     24     -16.6501      1.00000
     25     -15.6985      1.00000
     26     -15.5717      1.00000
     27     -15.2770      1.00000
     28     -15.2356      1.00000
     29     -14.9312      1.00000
     30     -14.5643      1.00000
     31     -14.4968      1.00000
     32     -14.2513      1.00000
     33     -14.1962      1.00000
     34     -13.8380      1.00000
     35     -13.8233      1.00000
     36     -12.8720      1.00000
     37     -12.7615      1.00000
     38     -12.7006      1.00000
     39     -12.6770      1.00000
     40     -12.4091      1.00000
     41     -12.3601      1.00000
     42     -12.0129      1.00000
     43     -11.9842      1.00000
     44     -11.3803      1.00000
     45     -11.2888      1.00000
     46     -11.2276      1.00000
     47     -11.1798      1.00000
     48     -10.6068      1.00000
     49     -10.5883      1.00000
     50     -10.3421      1.00000
     51     -10.2676      1.00000
     52     -10.2171      1.00000
     53     -10.1714      1.00000
     54     -10.1347      1.00000
     55     -10.0755      1.00000
     56     -10.0205      1.00000
     57      -9.7130      1.00000
     58      -9.5778      1.00000
     59      -9.2879      1.00000
     60      -9.2223      1.00000
     61      -9.1327      1.00000
     62      -9.1032      1.00000
     63      -9.0743      1.00000
     64      -9.0392      1.00000
     65      -9.0096      1.00000
     66      -8.9552      1.00000
     67      -8.8430      1.00000
     68      -8.7949      1.00000
     69      -8.7737      1.00000
     70      -8.5437      1.00000
     71      -8.5348      1.00000
     72      -8.4105      1.00000
     73      -8.2691      1.00000
     74      -8.1539      1.00000
     75      -7.8748      1.00000
     76      -7.8454      1.00000
     77      -7.6389      1.00000
     78      -7.5425      1.00000
     79      -7.5011      1.00000
     80      -7.4577      1.00000
     81      -7.3996      1.00000
     82      -7.3556      1.00000
     83      -7.1611      1.00000
     84      -7.0504      1.00000
     85      -6.6356      1.00000
     86      -6.5786      1.00000
     87      -6.4952      1.00000
     88      -6.3105      1.00000
     89      -6.1080      1.00000
     90      -6.0461      1.00000
     91      -5.9844      1.00000
     92      -5.8709      1.00000
     93      -5.7925      1.00000
     94      -5.4769      1.00000
     95      -5.2740      1.00000
     96      -5.0565      1.00000
     97      -4.8994      1.00000
     98      -4.7773      1.00000
     99      -4.5125      1.00000
    100      -4.4425      1.00000
    101      -4.1788      1.00000
    102      -4.0091      1.00000
    103      -3.8621      1.00000
    104      -3.6009      1.00000
    105      -3.5248      1.00000
    106      -3.1773      1.00000
    107      -1.9201      0.00000
    108      -1.6945      0.00000
    109      -0.9788      0.00000
    110      -0.8928      0.00000
    111      -0.8746      0.00000
    112      -0.6288      0.00000
    113      -0.5942      0.00000
    114      -0.4920      0.00000
    115      -0.4778      0.00000
    116       0.3753      0.00000
    117       0.5347      0.00000
    118       0.5703      0.00000
    119       0.8057      0.00000
    120       1.0886      0.00000
    121       1.0933      0.00000
    122       1.2239      0.00000
    123       1.3530      0.00000
    124       1.4579      0.00000
    125       1.5926      0.00000
    126       1.7310      0.00000
    127       1.8259      0.00000
    128       1.9968      0.00000
    129       2.0563      0.00000
    130       2.0924      0.00000
    131       2.1547      0.00000
    132       2.3441      0.00000
    133       2.3669      0.00000
    134       2.4449      0.00000
    135       2.4954      0.00000
    136       2.7366      0.00000
    137       2.7943      0.00000
    138       2.8359      0.00000
    139       2.8745      0.00000
    140       2.9163      0.00000
    141       3.0314      0.00000
    142       3.0474      0.00000
    143       3.1207      0.00000
    144       3.1626      0.00000
    145       3.2585      0.00000
    146       3.2994      0.00000
    147       3.3735      0.00000
    148       3.4670      0.00000
    149       3.5627      0.00000
    150       3.5997      0.00000
    151       3.6768      0.00000
    152       3.6875      0.00000
    153       3.7864      0.00000
    154       3.9009      0.00000
    155       3.9274      0.00000
    156       3.9879      0.00000
    157       4.0018      0.00000
    158       4.1148      0.00000
    159       4.1314      0.00000
    160       4.1797      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0427      1.00000
      2     -21.4845      1.00000
      3     -21.2976      1.00000
      4     -21.2715      1.00000
      5     -20.9321      1.00000
      6     -20.8981      1.00000
      7     -20.7173      1.00000
      8     -19.8270      1.00000
      9     -19.7907      1.00000
     10     -19.2852      1.00000
     11     -19.2566      1.00000
     12     -19.0732      1.00000
     13     -18.7671      1.00000
     14     -18.7266      1.00000
     15     -18.7070      1.00000
     16     -18.6957      1.00000
     17     -18.0372      1.00000
     18     -18.0152      1.00000
     19     -17.6716      1.00000
     20     -16.7318      1.00000
     21     -16.6834      1.00000
     22     -16.6261      1.00000
     23     -16.6108      1.00000
     24     -16.1719      1.00000
     25     -16.1400      1.00000
     26     -15.2771      1.00000
     27     -15.2592      1.00000
     28     -14.8949      1.00000
     29     -14.8853      1.00000
     30     -14.8777      1.00000
     31     -14.7873      1.00000
     32     -14.7425      1.00000
     33     -14.3748      1.00000
     34     -14.3563      1.00000
     35     -13.4073      1.00000
     36     -13.3819      1.00000
     37     -12.9143      1.00000
     38     -12.3560      1.00000
     39     -12.2548      1.00000
     40     -12.1301      1.00000
     41     -12.1160      1.00000
     42     -11.7696      1.00000
     43     -11.7523      1.00000
     44     -11.3928      1.00000
     45     -11.3639      1.00000
     46     -11.2630      1.00000
     47     -10.9092      1.00000
     48     -10.9032      1.00000
     49     -10.6744      1.00000
     50     -10.6717      1.00000
     51     -10.5938      1.00000
     52     -10.5529      1.00000
     53     -10.2003      1.00000
     54      -9.8830      1.00000
     55      -9.8317      1.00000
     56      -9.7645      1.00000
     57      -9.5689      1.00000
     58      -9.3608      1.00000
     59      -9.3500      1.00000
     60      -9.3257      1.00000
     61      -9.3012      1.00000
     62      -9.2383      1.00000
     63      -9.2002      1.00000
     64      -8.9925      1.00000
     65      -8.9673      1.00000
     66      -8.9254      1.00000
     67      -8.9075      1.00000
     68      -8.8016      1.00000
     69      -8.7889      1.00000
     70      -8.7786      1.00000
     71      -8.6101      1.00000
     72      -8.5476      1.00000
     73      -8.2643      1.00000
     74      -8.2598      1.00000
     75      -7.8235      1.00000
     76      -7.7257      1.00000
     77      -7.5756      1.00000
     78      -7.4982      1.00000
     79      -7.4582      1.00000
     80      -7.4172      1.00000
     81      -7.1463      1.00000
     82      -6.9985      1.00000
     83      -6.9775      1.00000
     84      -6.9448      1.00000
     85      -6.8769      1.00000
     86      -6.6745      1.00000
     87      -6.5609      1.00000
     88      -6.4434      1.00000
     89      -6.3968      1.00000
     90      -6.3031      1.00000
     91      -5.8735      1.00000
     92      -5.8014      1.00000
     93      -5.7672      1.00000
     94      -5.6476      1.00000
     95      -5.5906      1.00000
     96      -5.0416      1.00000
     97      -4.6239      1.00000
     98      -4.5302      1.00000
     99      -4.3539      1.00000
    100      -4.2430      1.00000
    101      -4.1884      1.00000
    102      -3.8369      1.00000
    103      -3.8120      1.00000
    104      -3.7300      1.00000
    105      -3.4580      1.00000
    106      -3.4282      1.00000
    107      -1.8134      0.00000
    108      -1.4226      0.00000
    109      -1.3753      0.00000
    110      -1.0219      0.00000
    111      -0.9989      0.00000
    112      -0.9908      0.00000
    113      -0.8663      0.00000
    114      -0.2786      0.00000
    115       0.0446      0.00000
    116       0.0749      0.00000
    117       0.7357      0.00000
    118       0.9071      0.00000
    119       0.9336      0.00000
    120       1.1995      0.00000
    121       1.2623      0.00000
    122       1.3450      0.00000
    123       1.4258      0.00000
    124       1.4661      0.00000
    125       1.5408      0.00000
    126       1.6778      0.00000
    127       1.7605      0.00000
    128       1.9478      0.00000
    129       1.9667      0.00000
    130       2.1675      0.00000
    131       2.2081      0.00000
    132       2.2305      0.00000
    133       2.3221      0.00000
    134       2.3773      0.00000
    135       2.4178      0.00000
    136       2.5407      0.00000
    137       2.7077      0.00000
    138       2.7374      0.00000
    139       2.7688      0.00000
    140       2.7928      0.00000
    141       2.8657      0.00000
    142       3.0394      0.00000
    143       3.1247      0.00000
    144       3.1371      0.00000
    145       3.1633      0.00000
    146       3.2136      0.00000
    147       3.2263      0.00000
    148       3.4110      0.00000
    149       3.4125      0.00000
    150       3.5054      0.00000
    151       3.5958      0.00000
    152       3.5960      0.00000
    153       3.7720      0.00000
    154       3.8447      0.00000
    155       3.9117      0.00000
    156       3.9904      0.00000
    157       4.1266      0.00000
    158       4.1504      0.00000
    159       4.1942      0.00000
    160       4.4230      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8495      1.00000
      2     -21.7872      1.00000
      3     -21.6172      1.00000
      4     -21.0657      1.00000
      5     -20.7020      1.00000
      6     -20.6797      1.00000
      7     -20.1542      1.00000
      8     -20.1288      1.00000
      9     -19.9463      1.00000
     10     -19.9456      1.00000
     11     -19.6114      1.00000
     12     -19.5670      1.00000
     13     -18.5486      1.00000
     14     -18.4922      1.00000
     15     -17.9925      1.00000
     16     -17.9781      1.00000
     17     -17.8165      1.00000
     18     -17.8107      1.00000
     19     -17.4744      1.00000
     20     -17.4606      1.00000
     21     -16.9428      1.00000
     22     -16.9150      1.00000
     23     -16.8124      1.00000
     24     -16.8045      1.00000
     25     -15.8084      1.00000
     26     -15.5339      1.00000
     27     -15.5313      1.00000
     28     -15.5261      1.00000
     29     -14.8755      1.00000
     30     -14.2257      1.00000
     31     -14.2057      1.00000
     32     -13.9213      1.00000
     33     -13.6739      1.00000
     34     -13.6329      1.00000
     35     -13.5039      1.00000
     36     -13.4904      1.00000
     37     -13.2669      1.00000
     38     -13.2399      1.00000
     39     -13.0357      1.00000
     40     -12.3277      1.00000
     41     -11.8369      1.00000
     42     -11.8245      1.00000
     43     -11.7192      1.00000
     44     -11.6845      1.00000
     45     -11.4155      1.00000
     46     -11.3445      1.00000
     47     -11.1747      1.00000
     48     -10.8108      1.00000
     49     -10.8008      1.00000
     50     -10.4601      1.00000
     51     -10.4052      1.00000
     52     -10.0392      1.00000
     53      -9.8771      1.00000
     54      -9.8663      1.00000
     55      -9.8501      1.00000
     56      -9.7046      1.00000
     57      -9.6673      1.00000
     58      -9.6496      1.00000
     59      -9.4984      1.00000
     60      -9.4651      1.00000
     61      -9.4534      1.00000
     62      -9.4358      1.00000
     63      -9.1353      1.00000
     64      -9.0362      1.00000
     65      -8.7703      1.00000
     66      -8.7351      1.00000
     67      -8.6636      1.00000
     68      -8.6311      1.00000
     69      -8.5301      1.00000
     70      -8.3776      1.00000
     71      -8.3691      1.00000
     72      -8.2426      1.00000
     73      -8.2221      1.00000
     74      -8.1275      1.00000
     75      -8.1272      1.00000
     76      -8.0104      1.00000
     77      -7.9746      1.00000
     78      -7.7643      1.00000
     79      -7.7284      1.00000
     80      -7.6391      1.00000
     81      -7.3800      1.00000
     82      -7.2978      1.00000
     83      -7.1729      1.00000
     84      -6.7529      1.00000
     85      -6.6428      1.00000
     86      -6.5783      1.00000
     87      -6.3150      1.00000
     88      -6.2227      1.00000
     89      -6.1688      1.00000
     90      -6.1272      1.00000
     91      -6.0597      1.00000
     92      -5.6738      1.00000
     93      -5.4849      1.00000
     94      -5.4530      1.00000
     95      -5.2937      1.00000
     96      -5.0947      1.00000
     97      -4.9113      1.00000
     98      -4.9057      1.00000
     99      -4.8838      1.00000
    100      -4.4696      1.00000
    101      -4.1557      1.00000
    102      -4.0224      1.00000
    103      -3.9587      1.00000
    104      -3.5904      1.00000
    105      -3.5368      1.00000
    106      -2.9746      1.00000
    107      -2.0893      0.00000
    108      -1.7325      0.00000
    109      -0.8630      0.00000
    110      -0.8576      0.00000
    111      -0.8464      0.00000
    112      -0.8418      0.00000
    113      -0.1959      0.00000
    114      -0.1798      0.00000
    115      -0.0401      0.00000
    116      -0.0159      0.00000
    117       0.2867      0.00000
    118       0.2932      0.00000
    119       0.7501      0.00000
    120       0.8525      0.00000
    121       0.9866      0.00000
    122       1.0292      0.00000
    123       1.2384      0.00000
    124       1.5557      0.00000
    125       1.5731      0.00000
    126       1.6429      0.00000
    127       1.9549      0.00000
    128       2.0415      0.00000
    129       2.0503      0.00000
    130       2.1293      0.00000
    131       2.2987      0.00000
    132       2.3655      0.00000
    133       2.5413      0.00000
    134       2.5542      0.00000
    135       2.6464      0.00000
    136       2.8234      0.00000
    137       2.9166      0.00000
    138       2.9492      0.00000
    139       3.0168      0.00000
    140       3.0473      0.00000
    141       3.1171      0.00000
    142       3.1580      0.00000
    143       3.1891      0.00000
    144       3.2074      0.00000
    145       3.3258      0.00000
    146       3.3663      0.00000
    147       3.4276      0.00000
    148       3.4713      0.00000
    149       3.5003      0.00000
    150       3.5495      0.00000
    151       3.5563      0.00000
    152       3.5804      0.00000
    153       3.6211      0.00000
    154       3.6667      0.00000
    155       3.7918      0.00000
    156       3.9054      0.00000
    157       3.9357      0.00000
    158       4.0297      0.00000
    159       4.1727      0.00000
    160       4.2400      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9331      1.00000
      2     -21.7378      1.00000
      3     -21.3750      1.00000
      4     -21.3464      1.00000
      5     -20.6370      1.00000
      6     -20.6009      1.00000
      7     -20.2663      1.00000
      8     -20.2377      1.00000
      9     -20.2311      1.00000
     10     -19.6923      1.00000
     11     -19.1777      1.00000
     12     -19.1483      1.00000
     13     -18.9820      1.00000
     14     -18.9667      1.00000
     15     -18.1047      1.00000
     16     -18.0703      1.00000
     17     -17.6022      1.00000
     18     -17.5775      1.00000
     19     -17.4193      1.00000
     20     -17.3825      1.00000
     21     -17.1165      1.00000
     22     -17.0940      1.00000
     23     -16.9871      1.00000
     24     -16.1707      1.00000
     25     -16.1353      1.00000
     26     -15.6501      1.00000
     27     -15.0831      1.00000
     28     -15.0646      1.00000
     29     -14.7728      1.00000
     30     -14.7509      1.00000
     31     -14.4966      1.00000
     32     -14.4886      1.00000
     33     -13.9952      1.00000
     34     -13.9264      1.00000
     35     -13.1539      1.00000
     36     -13.0733      1.00000
     37     -12.8543      1.00000
     38     -12.8301      1.00000
     39     -12.6673      1.00000
     40     -12.6452      1.00000
     41     -12.2860      1.00000
     42     -12.2636      1.00000
     43     -11.8837      1.00000
     44     -11.2721      1.00000
     45     -11.2504      1.00000
     46     -11.1811      1.00000
     47     -10.9811      1.00000
     48     -10.9391      1.00000
     49     -10.8104      1.00000
     50     -10.3853      1.00000
     51     -10.3422      1.00000
     52     -10.0947      1.00000
     53      -9.9818      1.00000
     54      -9.9814      1.00000
     55      -9.8589      1.00000
     56      -9.8008      1.00000
     57      -9.7673      1.00000
     58      -9.4831      1.00000
     59      -9.4240      1.00000
     60      -9.3895      1.00000
     61      -9.3749      1.00000
     62      -9.3698      1.00000
     63      -9.3225      1.00000
     64      -9.0379      1.00000
     65      -9.0230      1.00000
     66      -8.9954      1.00000
     67      -8.6502      1.00000
     68      -8.6281      1.00000
     69      -8.5789      1.00000
     70      -8.4585      1.00000
     71      -8.2651      1.00000
     72      -8.1964      1.00000
     73      -8.0939      1.00000
     74      -8.0581      1.00000
     75      -7.9680      1.00000
     76      -7.9628      1.00000
     77      -7.9195      1.00000
     78      -7.9019      1.00000
     79      -7.9009      1.00000
     80      -7.4856      1.00000
     81      -7.2274      1.00000
     82      -7.0393      1.00000
     83      -6.9535      1.00000
     84      -6.8844      1.00000
     85      -6.8294      1.00000
     86      -6.6808      1.00000
     87      -6.6404      1.00000
     88      -6.2788      1.00000
     89      -6.2743      1.00000
     90      -6.1414      1.00000
     91      -5.9361      1.00000
     92      -5.6257      1.00000
     93      -5.5195      1.00000
     94      -5.3924      1.00000
     95      -5.3246      1.00000
     96      -4.9980      1.00000
     97      -4.9682      1.00000
     98      -4.9050      1.00000
     99      -4.8822      1.00000
    100      -4.2507      1.00000
    101      -4.1722      1.00000
    102      -3.9707      1.00000
    103      -3.8007      1.00000
    104      -3.6224      1.00000
    105      -3.5109      1.00000
    106      -3.3676      1.00000
    107      -1.7481      0.00000
    108      -1.5068      0.00000
    109      -1.4690      0.00000
    110      -0.7794      0.00000
    111      -0.7105      0.00000
    112      -0.6966      0.00000
    113      -0.3503      0.00000
    114      -0.3398      0.00000
    115      -0.3037      0.00000
    116      -0.2872      0.00000
    117       0.4589      0.00000
    118       0.5315      0.00000
    119       0.8143      0.00000
    120       1.0633      0.00000
    121       1.1210      0.00000
    122       1.3295      0.00000
    123       1.5255      0.00000
    124       1.5492      0.00000
    125       1.6238      0.00000
    126       1.7132      0.00000
    127       1.8599      0.00000
    128       1.9064      0.00000
    129       1.9525      0.00000
    130       2.0209      0.00000
    131       2.1531      0.00000
    132       2.2625      0.00000
    133       2.3472      0.00000
    134       2.4940      0.00000
    135       2.6212      0.00000
    136       2.6564      0.00000
    137       2.6921      0.00000
    138       2.7535      0.00000
    139       2.8868      0.00000
    140       2.9260      0.00000
    141       3.0227      0.00000
    142       3.1914      0.00000
    143       3.2109      0.00000
    144       3.2439      0.00000
    145       3.3549      0.00000
    146       3.3826      0.00000
    147       3.4560      0.00000
    148       3.5677      0.00000
    149       3.6225      0.00000
    150       3.6363      0.00000
    151       3.6678      0.00000
    152       3.7152      0.00000
    153       3.8198      0.00000
    154       3.8546      0.00000
    155       3.9115      0.00000
    156       3.9148      0.00000
    157       3.9947      0.00000
    158       4.0314      0.00000
    159       4.0774      0.00000
    160       4.0868      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0799      1.00000
      2     -21.2449      1.00000
      3     -21.1357      1.00000
      4     -21.1253      1.00000
      5     -21.1184      1.00000
      6     -21.0998      1.00000
      7     -21.0981      1.00000
      8     -19.3823      1.00000
      9     -19.3003      1.00000
     10     -19.2945      1.00000
     11     -19.2929      1.00000
     12     -19.2685      1.00000
     13     -19.2681      1.00000
     14     -18.4748      1.00000
     15     -18.4099      1.00000
     16     -18.4078      1.00000
     17     -18.3852      1.00000
     18     -18.3793      1.00000
     19     -18.3661      1.00000
     20     -16.3483      1.00000
     21     -16.2620      1.00000
     22     -16.2557      1.00000
     23     -16.2510      1.00000
     24     -16.2237      1.00000
     25     -16.2149      1.00000
     26     -15.3258      1.00000
     27     -15.2590      1.00000
     28     -15.2429      1.00000
     29     -15.2310      1.00000
     30     -15.2229      1.00000
     31     -15.2092      1.00000
     32     -13.9636      1.00000
     33     -13.9256      1.00000
     34     -13.9022      1.00000
     35     -13.8972      1.00000
     36     -13.8895      1.00000
     37     -13.8766      1.00000
     38     -11.7524      1.00000
     39     -11.5714      1.00000
     40     -11.5382      1.00000
     41     -11.5319      1.00000
     42     -11.5083      1.00000
     43     -11.5051      1.00000
     44     -11.4411      1.00000
     45     -11.4362      1.00000
     46     -11.4100      1.00000
     47     -11.3923      1.00000
     48     -11.3911      1.00000
     49     -11.3887      1.00000
     50     -11.1339      1.00000
     51     -10.2601      1.00000
     52     -10.0796      1.00000
     53     -10.0570      1.00000
     54     -10.0539      1.00000
     55     -10.0332      1.00000
     56     -10.0156      1.00000
     57      -9.9950      1.00000
     58      -9.4133      1.00000
     59      -9.1386      1.00000
     60      -9.0989      1.00000
     61      -9.0566      1.00000
     62      -9.0382      1.00000
     63      -9.0356      1.00000
     64      -8.8489      1.00000
     65      -8.7866      1.00000
     66      -8.7833      1.00000
     67      -8.7675      1.00000
     68      -8.7608      1.00000
     69      -8.7377      1.00000
     70      -8.7366      1.00000
     71      -8.7308      1.00000
     72      -8.7302      1.00000
     73      -8.7096      1.00000
     74      -8.6934      1.00000
     75      -8.6896      1.00000
     76      -7.4012      1.00000
     77      -7.2341      1.00000
     78      -7.1839      1.00000
     79      -7.1523      1.00000
     80      -7.1101      1.00000
     81      -7.1058      1.00000
     82      -7.0851      1.00000
     83      -7.0771      1.00000
     84      -6.9422      1.00000
     85      -6.9265      1.00000
     86      -6.9265      1.00000
     87      -6.9156      1.00000
     88      -6.3236      1.00000
     89      -6.2947      1.00000
     90      -6.1042      1.00000
     91      -6.0758      1.00000
     92      -6.0339      1.00000
     93      -6.0217      1.00000
     94      -5.6662      1.00000
     95      -5.5987      1.00000
     96      -4.9853      1.00000
     97      -4.6278      1.00000
     98      -4.2744      1.00000
     99      -4.2556      1.00000
    100      -4.0751      1.00000
    101      -4.0546      1.00000
    102      -4.0278      1.00000
    103      -3.8821      1.00000
    104      -3.5598      1.00000
    105      -3.4714      1.00000
    106      -3.4340      1.00000
    107      -1.9062      0.00000
    108      -1.3008      0.00000
    109      -1.2575      0.00000
    110      -1.2540      0.00000
    111      -1.2468      0.00000
    112      -1.2089      0.00000
    113      -1.0551      0.00000
    114       0.3626      0.00000
    115       0.4594      0.00000
    116       0.5280      0.00000
    117       0.5646      0.00000
    118       0.5888      0.00000
    119       0.5899      0.00000
    120       0.7497      0.00000
    121       1.2463      0.00000
    122       1.3185      0.00000
    123       1.3206      0.00000
    124       1.6528      0.00000
    125       1.9161      0.00000
    126       1.9303      0.00000
    127       1.9421      0.00000
    128       2.0140      0.00000
    129       2.1668      0.00000
    130       2.2891      0.00000
    131       2.2910      0.00000
    132       2.2923      0.00000
    133       2.2979      0.00000
    134       2.3106      0.00000
    135       2.3365      0.00000
    136       2.3950      0.00000
    137       2.5070      0.00000
    138       2.6346      0.00000
    139       2.6615      0.00000
    140       2.6961      0.00000
    141       2.7660      0.00000
    142       2.8430      0.00000
    143       2.8622      0.00000
    144       2.9879      0.00000
    145       3.0043      0.00000
    146       3.0288      0.00000
    147       3.0381      0.00000
    148       3.2597      0.00000
    149       3.4534      0.00000
    150       3.5782      0.00000
    151       3.7441      0.00000
    152       3.7579      0.00000
    153       3.9004      0.00000
    154       3.9239      0.00000
    155       3.9447      0.00000
    156       3.9657      0.00000
    157       4.1618      0.00000
    158       4.1726      0.00000
    159       4.3054      0.00000
    160       4.3215      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0429      1.00000
      2     -21.4836      1.00000
      3     -21.3009      1.00000
      4     -21.2684      1.00000
      5     -20.9321      1.00000
      6     -20.8951      1.00000
      7     -20.7216      1.00000
      8     -19.8304      1.00000
      9     -19.7905      1.00000
     10     -19.2788      1.00000
     11     -19.2482      1.00000
     12     -19.0850      1.00000
     13     -18.7605      1.00000
     14     -18.7204      1.00000
     15     -18.7136      1.00000
     16     -18.6982      1.00000
     17     -18.0350      1.00000
     18     -18.0060      1.00000
     19     -17.6913      1.00000
     20     -16.7538      1.00000
     21     -16.6971      1.00000
     22     -16.6295      1.00000
     23     -16.5905      1.00000
     24     -16.1468      1.00000
     25     -16.1112      1.00000
     26     -15.3053      1.00000
     27     -15.2571      1.00000
     28     -14.9511      1.00000
     29     -14.9031      1.00000
     30     -14.8424      1.00000
     31     -14.7634      1.00000
     32     -14.7292      1.00000
     33     -14.3762      1.00000
     34     -14.3569      1.00000
     35     -13.4136      1.00000
     36     -13.3887      1.00000
     37     -12.9098      1.00000
     38     -12.3137      1.00000
     39     -12.2403      1.00000
     40     -12.1271      1.00000
     41     -12.1085      1.00000
     42     -11.8327      1.00000
     43     -11.7812      1.00000
     44     -11.4411      1.00000
     45     -11.3491      1.00000
     46     -11.2023      1.00000
     47     -10.9046      1.00000
     48     -10.8794      1.00000
     49     -10.6899      1.00000
     50     -10.6736      1.00000
     51     -10.6048      1.00000
     52     -10.5638      1.00000
     53     -10.1920      1.00000
     54      -9.8261      1.00000
     55      -9.8132      1.00000
     56      -9.7727      1.00000
     57      -9.5779      1.00000
     58      -9.4105      1.00000
     59      -9.3674      1.00000
     60      -9.3140      1.00000
     61      -9.2834      1.00000
     62      -9.2503      1.00000
     63      -9.2016      1.00000
     64      -8.9904      1.00000
     65      -8.9748      1.00000
     66      -8.9255      1.00000
     67      -8.8820      1.00000
     68      -8.8191      1.00000
     69      -8.7856      1.00000
     70      -8.7720      1.00000
     71      -8.6125      1.00000
     72      -8.5438      1.00000
     73      -8.3012      1.00000
     74      -8.2726      1.00000
     75      -7.7822      1.00000
     76      -7.7229      1.00000
     77      -7.5679      1.00000
     78      -7.5367      1.00000
     79      -7.4377      1.00000
     80      -7.4288      1.00000
     81      -7.0710      1.00000
     82      -7.0465      1.00000
     83      -7.0188      1.00000
     84      -6.9793      1.00000
     85      -6.7966      1.00000
     86      -6.6991      1.00000
     87      -6.5522      1.00000
     88      -6.4639      1.00000
     89      -6.3699      1.00000
     90      -6.3062      1.00000
     91      -5.8321      1.00000
     92      -5.8240      1.00000
     93      -5.7963      1.00000
     94      -5.6932      1.00000
     95      -5.4850      1.00000
     96      -5.0469      1.00000
     97      -4.7496      1.00000
     98      -4.4684      1.00000
     99      -4.3745      1.00000
    100      -4.2086      1.00000
    101      -4.1658      1.00000
    102      -4.0233      1.00000
    103      -3.8322      1.00000
    104      -3.5269      1.00000
    105      -3.4523      1.00000
    106      -3.4061      1.00000
    107      -1.9251      0.00000
    108      -1.4354      0.00000
    109      -1.3220      0.00000
    110      -1.0021      0.00000
    111      -0.9808      0.00000
    112      -0.9466      0.00000
    113      -0.9165      0.00000
    114      -0.3071      0.00000
    115       0.0629      0.00000
    116       0.0961      0.00000
    117       0.7509      0.00000
    118       0.8705      0.00000
    119       1.0080      0.00000
    120       1.0739      0.00000
    121       1.2820      0.00000
    122       1.3574      0.00000
    123       1.4258      0.00000
    124       1.4964      0.00000
    125       1.5580      0.00000
    126       1.6713      0.00000
    127       1.7590      0.00000
    128       1.9586      0.00000
    129       1.9772      0.00000
    130       2.1131      0.00000
    131       2.1964      0.00000
    132       2.2548      0.00000
    133       2.3198      0.00000
    134       2.3624      0.00000
    135       2.4056      0.00000
    136       2.5339      0.00000
    137       2.7121      0.00000
    138       2.7519      0.00000
    139       2.7654      0.00000
    140       2.8169      0.00000
    141       2.8735      0.00000
    142       3.0533      0.00000
    143       3.1054      0.00000
    144       3.1152      0.00000
    145       3.1505      0.00000
    146       3.1851      0.00000
    147       3.2494      0.00000
    148       3.4118      0.00000
    149       3.4685      0.00000
    150       3.4931      0.00000
    151       3.5884      0.00000
    152       3.5988      0.00000
    153       3.7792      0.00000
    154       3.8457      0.00000
    155       3.9228      0.00000
    156       4.0214      0.00000
    157       4.1067      0.00000
    158       4.1310      0.00000
    159       4.1871      0.00000
    160       4.3860      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9345      1.00000
      2     -21.7359      1.00000
      3     -21.3772      1.00000
      4     -21.3430      1.00000
      5     -20.6390      1.00000
      6     -20.5990      1.00000
      7     -20.2763      1.00000
      8     -20.2381      1.00000
      9     -20.2264      1.00000
     10     -19.6973      1.00000
     11     -19.1753      1.00000
     12     -19.1410      1.00000
     13     -18.9759      1.00000
     14     -18.9560      1.00000
     15     -18.1194      1.00000
     16     -18.0750      1.00000
     17     -17.6032      1.00000
     18     -17.5668      1.00000
     19     -17.4322      1.00000
     20     -17.3915      1.00000
     21     -17.1173      1.00000
     22     -17.0819      1.00000
     23     -17.0187      1.00000
     24     -16.1365      1.00000
     25     -16.1137      1.00000
     26     -15.6209      1.00000
     27     -15.1001      1.00000
     28     -15.0627      1.00000
     29     -14.7796      1.00000
     30     -14.7504      1.00000
     31     -14.5525      1.00000
     32     -14.5184      1.00000
     33     -13.9628      1.00000
     34     -13.9176      1.00000
     35     -13.1220      1.00000
     36     -13.0635      1.00000
     37     -12.8706      1.00000
     38     -12.8411      1.00000
     39     -12.6430      1.00000
     40     -12.6284      1.00000
     41     -12.3136      1.00000
     42     -12.2806      1.00000
     43     -11.8804      1.00000
     44     -11.3712      1.00000
     45     -11.2053      1.00000
     46     -11.1541      1.00000
     47     -10.9622      1.00000
     48     -10.9494      1.00000
     49     -10.8112      1.00000
     50     -10.3539      1.00000
     51     -10.3244      1.00000
     52     -10.0958      1.00000
     53      -9.9937      1.00000
     54      -9.9839      1.00000
     55      -9.8451      1.00000
     56      -9.7867      1.00000
     57      -9.7775      1.00000
     58      -9.4626      1.00000
     59      -9.4485      1.00000
     60      -9.3983      1.00000
     61      -9.3687      1.00000
     62      -9.3563      1.00000
     63      -9.3229      1.00000
     64      -9.0343      1.00000
     65      -9.0196      1.00000
     66      -8.9849      1.00000
     67      -8.7108      1.00000
     68      -8.6324      1.00000
     69      -8.5488      1.00000
     70      -8.4777      1.00000
     71      -8.2743      1.00000
     72      -8.1926      1.00000
     73      -8.0725      1.00000
     74      -8.0583      1.00000
     75      -8.0152      1.00000
     76      -7.9642      1.00000
     77      -7.9361      1.00000
     78      -7.9340      1.00000
     79      -7.9051      1.00000
     80      -7.4729      1.00000
     81      -7.0663      1.00000
     82      -7.0236      1.00000
     83      -7.0143      1.00000
     84      -6.9193      1.00000
     85      -6.8929      1.00000
     86      -6.6578      1.00000
     87      -6.6558      1.00000
     88      -6.3086      1.00000
     89      -6.2397      1.00000
     90      -5.9792      1.00000
     91      -5.9108      1.00000
     92      -5.7408      1.00000
     93      -5.5207      1.00000
     94      -5.3993      1.00000
     95      -5.2365      1.00000
     96      -5.0628      1.00000
     97      -5.0131      1.00000
     98      -4.9131      1.00000
     99      -4.8958      1.00000
    100      -4.3165      1.00000
    101      -4.1667      1.00000
    102      -4.0642      1.00000
    103      -3.7725      1.00000
    104      -3.5646      1.00000
    105      -3.3594      1.00000
    106      -3.3440      1.00000
    107      -1.9470      0.00000
    108      -1.5374      0.00000
    109      -1.3470      0.00000
    110      -0.8229      0.00000
    111      -0.6976      0.00000
    112      -0.6751      0.00000
    113      -0.3419      0.00000
    114      -0.3177      0.00000
    115      -0.3069      0.00000
    116      -0.2745      0.00000
    117       0.4532      0.00000
    118       0.5442      0.00000
    119       0.8152      0.00000
    120       1.0717      0.00000
    121       1.1259      0.00000
    122       1.4082      0.00000
    123       1.4979      0.00000
    124       1.5516      0.00000
    125       1.5989      0.00000
    126       1.6972      0.00000
    127       1.8628      0.00000
    128       1.8892      0.00000
    129       1.9384      0.00000
    130       2.0511      0.00000
    131       2.0913      0.00000
    132       2.1833      0.00000
    133       2.3471      0.00000
    134       2.5117      0.00000
    135       2.6241      0.00000
    136       2.6527      0.00000
    137       2.7083      0.00000
    138       2.7535      0.00000
    139       2.8919      0.00000
    140       2.9586      0.00000
    141       3.0197      0.00000
    142       3.1883      0.00000
    143       3.2167      0.00000
    144       3.2460      0.00000
    145       3.3663      0.00000
    146       3.4032      0.00000
    147       3.4614      0.00000
    148       3.5295      0.00000
    149       3.6099      0.00000
    150       3.6416      0.00000
    151       3.6712      0.00000
    152       3.7064      0.00000
    153       3.8266      0.00000
    154       3.8909      0.00000
    155       3.9250      0.00000
    156       3.9380      0.00000
    157       4.0037      0.00000
    158       4.0748      0.00000
    159       4.1018      0.00000
    160       4.1398      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9699      1.00000
      2     -21.6109      1.00000
      3     -21.5623      1.00000
      4     -21.0364      1.00000
      5     -21.0132      1.00000
      6     -20.4934      1.00000
      7     -20.4460      1.00000
      8     -20.2871      1.00000
      9     -19.7337      1.00000
     10     -19.7323      1.00000
     11     -19.3806      1.00000
     12     -19.3591      1.00000
     13     -18.6573      1.00000
     14     -18.6540      1.00000
     15     -18.2979      1.00000
     16     -18.2878      1.00000
     17     -18.1310      1.00000
     18     -17.3615      1.00000
     19     -17.2999      1.00000
     20     -17.2876      1.00000
     21     -17.2617      1.00000
     22     -16.7858      1.00000
     23     -16.7728      1.00000
     24     -16.6088      1.00000
     25     -15.6453      1.00000
     26     -15.6223      1.00000
     27     -15.2491      1.00000
     28     -15.2386      1.00000
     29     -14.9934      1.00000
     30     -14.5219      1.00000
     31     -14.4923      1.00000
     32     -14.2582      1.00000
     33     -14.2194      1.00000
     34     -13.8402      1.00000
     35     -13.8339      1.00000
     36     -12.7969      1.00000
     37     -12.7598      1.00000
     38     -12.7219      1.00000
     39     -12.7003      1.00000
     40     -12.3902      1.00000
     41     -12.3820      1.00000
     42     -12.0024      1.00000
     43     -11.9767      1.00000
     44     -11.4466      1.00000
     45     -11.3090      1.00000
     46     -11.2534      1.00000
     47     -11.1266      1.00000
     48     -10.6070      1.00000
     49     -10.5931      1.00000
     50     -10.3007      1.00000
     51     -10.2897      1.00000
     52     -10.1653      1.00000
     53     -10.1643      1.00000
     54     -10.1004      1.00000
     55     -10.0964      1.00000
     56     -10.0265      1.00000
     57      -9.7112      1.00000
     58      -9.5828      1.00000
     59      -9.2885      1.00000
     60      -9.2321      1.00000
     61      -9.1525      1.00000
     62      -9.0809      1.00000
     63      -9.0643      1.00000
     64      -9.0443      1.00000
     65      -8.9989      1.00000
     66      -8.9676      1.00000
     67      -8.8671      1.00000
     68      -8.8337      1.00000
     69      -8.7979      1.00000
     70      -8.5336      1.00000
     71      -8.5264      1.00000
     72      -8.4008      1.00000
     73      -8.2835      1.00000
     74      -8.1305      1.00000
     75      -7.8866      1.00000
     76      -7.8499      1.00000
     77      -7.5981      1.00000
     78      -7.5304      1.00000
     79      -7.4978      1.00000
     80      -7.4971      1.00000
     81      -7.3906      1.00000
     82      -7.3766      1.00000
     83      -7.1352      1.00000
     84      -7.0796      1.00000
     85      -6.6018      1.00000
     86      -6.5815      1.00000
     87      -6.4791      1.00000
     88      -6.3527      1.00000
     89      -6.1050      1.00000
     90      -6.0394      1.00000
     91      -5.9821      1.00000
     92      -5.9031      1.00000
     93      -5.7407      1.00000
     94      -5.3500      1.00000
     95      -5.1746      1.00000
     96      -5.1221      1.00000
     97      -5.0651      1.00000
     98      -4.9138      1.00000
     99      -4.4412      1.00000
    100      -4.3987      1.00000
    101      -4.1652      1.00000
    102      -4.0353      1.00000
    103      -3.9419      1.00000
    104      -3.5579      1.00000
    105      -3.4928      1.00000
    106      -3.0443      1.00000
    107      -2.1372      0.00000
    108      -1.6093      0.00000
    109      -0.9526      0.00000
    110      -0.9096      0.00000
    111      -0.8460      0.00000
    112      -0.6304      0.00000
    113      -0.6206      0.00000
    114      -0.4859      0.00000
    115      -0.4731      0.00000
    116       0.4822      0.00000
    117       0.4851      0.00000
    118       0.5965      0.00000
    119       0.7839      0.00000
    120       1.0238      0.00000
    121       1.0761      0.00000
    122       1.2852      0.00000
    123       1.2951      0.00000
    124       1.4674      0.00000
    125       1.6279      0.00000
    126       1.7080      0.00000
    127       1.8366      0.00000
    128       2.0094      0.00000
    129       2.0398      0.00000
    130       2.0886      0.00000
    131       2.1643      0.00000
    132       2.3009      0.00000
    133       2.3554      0.00000
    134       2.4432      0.00000
    135       2.5388      0.00000
    136       2.7355      0.00000
    137       2.7909      0.00000
    138       2.8291      0.00000
    139       2.8796      0.00000
    140       2.8997      0.00000
    141       3.0547      0.00000
    142       3.0560      0.00000
    143       3.1262      0.00000
    144       3.1534      0.00000
    145       3.2515      0.00000
    146       3.2950      0.00000
    147       3.3620      0.00000
    148       3.4747      0.00000
    149       3.5633      0.00000
    150       3.5933      0.00000
    151       3.6631      0.00000
    152       3.6913      0.00000
    153       3.7975      0.00000
    154       3.8936      0.00000
    155       3.9508      0.00000
    156       3.9780      0.00000
    157       4.0094      0.00000
    158       4.0956      0.00000
    159       4.1653      0.00000
    160       4.1804      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8538      1.00000
      2     -21.7816      1.00000
      3     -21.6184      1.00000
      4     -21.0633      1.00000
      5     -20.7127      1.00000
      6     -20.6710      1.00000
      7     -20.1643      1.00000
      8     -20.1179      1.00000
      9     -19.9650      1.00000
     10     -19.9351      1.00000
     11     -19.6143      1.00000
     12     -19.5564      1.00000
     13     -18.5423      1.00000
     14     -18.4783      1.00000
     15     -18.0310      1.00000
     16     -17.9656      1.00000
     17     -17.8273      1.00000
     18     -17.7937      1.00000
     19     -17.5026      1.00000
     20     -17.4500      1.00000
     21     -16.9389      1.00000
     22     -16.8895      1.00000
     23     -16.8474      1.00000
     24     -16.7950      1.00000
     25     -15.7590      1.00000
     26     -15.5729      1.00000
     27     -15.5242      1.00000
     28     -15.4922      1.00000
     29     -14.9240      1.00000
     30     -14.2378      1.00000
     31     -14.1882      1.00000
     32     -13.9689      1.00000
     33     -13.6397      1.00000
     34     -13.6205      1.00000
     35     -13.5060      1.00000
     36     -13.4577      1.00000
     37     -13.2997      1.00000
     38     -13.2385      1.00000
     39     -13.0271      1.00000
     40     -12.2879      1.00000
     41     -11.9032      1.00000
     42     -11.8053      1.00000
     43     -11.7576      1.00000
     44     -11.6867      1.00000
     45     -11.3991      1.00000
     46     -11.3261      1.00000
     47     -11.1831      1.00000
     48     -10.8042      1.00000
     49     -10.7857      1.00000
     50     -10.4588      1.00000
     51     -10.4013      1.00000
     52     -10.0306      1.00000
     53      -9.8958      1.00000
     54      -9.8754      1.00000
     55      -9.8369      1.00000
     56      -9.6918      1.00000
     57      -9.6815      1.00000
     58      -9.6464      1.00000
     59      -9.4846      1.00000
     60      -9.4724      1.00000
     61      -9.4462      1.00000
     62      -9.4189      1.00000
     63      -9.1266      1.00000
     64      -9.0357      1.00000
     65      -8.7672      1.00000
     66      -8.7438      1.00000
     67      -8.7042      1.00000
     68      -8.6045      1.00000
     69      -8.5454      1.00000
     70      -8.4020      1.00000
     71      -8.3709      1.00000
     72      -8.2553      1.00000
     73      -8.2143      1.00000
     74      -8.1693      1.00000
     75      -8.1285      1.00000
     76      -8.0425      1.00000
     77      -7.9112      1.00000
     78      -7.7706      1.00000
     79      -7.7073      1.00000
     80      -7.5767      1.00000
     81      -7.4389      1.00000
     82      -7.2903      1.00000
     83      -7.2161      1.00000
     84      -6.6974      1.00000
     85      -6.6033      1.00000
     86      -6.5483      1.00000
     87      -6.4519      1.00000
     88      -6.2461      1.00000
     89      -6.1692      1.00000
     90      -6.1004      1.00000
     91      -5.9078      1.00000
     92      -5.6777      1.00000
     93      -5.5105      1.00000
     94      -5.4791      1.00000
     95      -5.2736      1.00000
     96      -5.1217      1.00000
     97      -4.9448      1.00000
     98      -4.9129      1.00000
     99      -4.9012      1.00000
    100      -4.4836      1.00000
    101      -4.1651      1.00000
    102      -4.0482      1.00000
    103      -3.9270      1.00000
    104      -3.5764      1.00000
    105      -3.5181      1.00000
    106      -2.8550      1.00000
    107      -2.2539      0.00000
    108      -1.6838      0.00000
    109      -0.9027      0.00000
    110      -0.8737      0.00000
    111      -0.8530      0.00000
    112      -0.7956      0.00000
    113      -0.1993      0.00000
    114      -0.1603      0.00000
    115      -0.0130      0.00000
    116      -0.0048      0.00000
    117       0.2450      0.00000
    118       0.3291      0.00000
    119       0.7664      0.00000
    120       0.8504      0.00000
    121       0.9314      0.00000
    122       1.0496      0.00000
    123       1.2755      0.00000
    124       1.5116      0.00000
    125       1.5786      0.00000
    126       1.6674      0.00000
    127       1.9423      0.00000
    128       2.0269      0.00000
    129       2.0624      0.00000
    130       2.1221      0.00000
    131       2.2978      0.00000
    132       2.3658      0.00000
    133       2.4782      0.00000
    134       2.5771      0.00000
    135       2.6608      0.00000
    136       2.7525      0.00000
    137       2.9234      0.00000
    138       2.9846      0.00000
    139       3.0220      0.00000
    140       3.0521      0.00000
    141       3.1412      0.00000
    142       3.1616      0.00000
    143       3.1788      0.00000
    144       3.2130      0.00000
    145       3.3202      0.00000
    146       3.3861      0.00000
    147       3.4376      0.00000
    148       3.4595      0.00000
    149       3.4946      0.00000
    150       3.5407      0.00000
    151       3.5753      0.00000
    152       3.5990      0.00000
    153       3.6261      0.00000
    154       3.6890      0.00000
    155       3.7851      0.00000
    156       3.8903      0.00000
    157       3.9455      0.00000
    158       4.0393      0.00000
    159       4.1787      0.00000
    160       4.2087      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9692      1.00000
      2     -21.6172      1.00000
      3     -21.5561      1.00000
      4     -21.0470      1.00000
      5     -21.0055      1.00000
      6     -20.4970      1.00000
      7     -20.4378      1.00000
      8     -20.2828      1.00000
      9     -19.7584      1.00000
     10     -19.7174      1.00000
     11     -19.3859      1.00000
     12     -19.3482      1.00000
     13     -18.6807      1.00000
     14     -18.6358      1.00000
     15     -18.3249      1.00000
     16     -18.2791      1.00000
     17     -18.1221      1.00000
     18     -17.3446      1.00000
     19     -17.2914      1.00000
     20     -17.2711      1.00000
     21     -17.2431      1.00000
     22     -16.8174      1.00000
     23     -16.7577      1.00000
     24     -16.6501      1.00000
     25     -15.6985      1.00000
     26     -15.5717      1.00000
     27     -15.2770      1.00000
     28     -15.2356      1.00000
     29     -14.9312      1.00000
     30     -14.5643      1.00000
     31     -14.4968      1.00000
     32     -14.2513      1.00000
     33     -14.1962      1.00000
     34     -13.8380      1.00000
     35     -13.8233      1.00000
     36     -12.8720      1.00000
     37     -12.7615      1.00000
     38     -12.7006      1.00000
     39     -12.6770      1.00000
     40     -12.4091      1.00000
     41     -12.3601      1.00000
     42     -12.0129      1.00000
     43     -11.9842      1.00000
     44     -11.3803      1.00000
     45     -11.2888      1.00000
     46     -11.2276      1.00000
     47     -11.1798      1.00000
     48     -10.6068      1.00000
     49     -10.5883      1.00000
     50     -10.3421      1.00000
     51     -10.2676      1.00000
     52     -10.2171      1.00000
     53     -10.1714      1.00000
     54     -10.1347      1.00000
     55     -10.0755      1.00000
     56     -10.0205      1.00000
     57      -9.7130      1.00000
     58      -9.5778      1.00000
     59      -9.2879      1.00000
     60      -9.2223      1.00000
     61      -9.1327      1.00000
     62      -9.1032      1.00000
     63      -9.0743      1.00000
     64      -9.0392      1.00000
     65      -9.0096      1.00000
     66      -8.9552      1.00000
     67      -8.8430      1.00000
     68      -8.7949      1.00000
     69      -8.7737      1.00000
     70      -8.5437      1.00000
     71      -8.5348      1.00000
     72      -8.4105      1.00000
     73      -8.2691      1.00000
     74      -8.1539      1.00000
     75      -7.8748      1.00000
     76      -7.8454      1.00000
     77      -7.6389      1.00000
     78      -7.5425      1.00000
     79      -7.5011      1.00000
     80      -7.4577      1.00000
     81      -7.3996      1.00000
     82      -7.3556      1.00000
     83      -7.1611      1.00000
     84      -7.0504      1.00000
     85      -6.6356      1.00000
     86      -6.5786      1.00000
     87      -6.4952      1.00000
     88      -6.3105      1.00000
     89      -6.1080      1.00000
     90      -6.0461      1.00000
     91      -5.9844      1.00000
     92      -5.8709      1.00000
     93      -5.7925      1.00000
     94      -5.4769      1.00000
     95      -5.2740      1.00000
     96      -5.0565      1.00000
     97      -4.8994      1.00000
     98      -4.7773      1.00000
     99      -4.5125      1.00000
    100      -4.4425      1.00000
    101      -4.1788      1.00000
    102      -4.0091      1.00000
    103      -3.8621      1.00000
    104      -3.6009      1.00000
    105      -3.5248      1.00000
    106      -3.1773      1.00000
    107      -1.9201      0.00000
    108      -1.6945      0.00000
    109      -0.9788      0.00000
    110      -0.8928      0.00000
    111      -0.8746      0.00000
    112      -0.6288      0.00000
    113      -0.5942      0.00000
    114      -0.4920      0.00000
    115      -0.4778      0.00000
    116       0.3753      0.00000
    117       0.5347      0.00000
    118       0.5703      0.00000
    119       0.8057      0.00000
    120       1.0886      0.00000
    121       1.0933      0.00000
    122       1.2239      0.00000
    123       1.3530      0.00000
    124       1.4579      0.00000
    125       1.5926      0.00000
    126       1.7310      0.00000
    127       1.8260      0.00000
    128       1.9969      0.00000
    129       2.0563      0.00000
    130       2.0924      0.00000
    131       2.1547      0.00000
    132       2.3442      0.00000
    133       2.3669      0.00000
    134       2.4450      0.00000
    135       2.4954      0.00000
    136       2.7366      0.00000
    137       2.7943      0.00000
    138       2.8359      0.00000
    139       2.8745      0.00000
    140       2.9163      0.00000
    141       3.0315      0.00000
    142       3.0474      0.00000
    143       3.1208      0.00000
    144       3.1627      0.00000
    145       3.2585      0.00000
    146       3.2994      0.00000
    147       3.3735      0.00000
    148       3.4671      0.00000
    149       3.5627      0.00000
    150       3.5997      0.00000
    151       3.6768      0.00000
    152       3.6875      0.00000
    153       3.7864      0.00000
    154       3.9009      0.00000
    155       3.9274      0.00000
    156       3.9880      0.00000
    157       4.0018      0.00000
    158       4.1148      0.00000
    159       4.1314      0.00000
    160       4.1788      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0427      1.00000
      2     -21.4845      1.00000
      3     -21.2976      1.00000
      4     -21.2715      1.00000
      5     -20.9321      1.00000
      6     -20.8981      1.00000
      7     -20.7173      1.00000
      8     -19.8270      1.00000
      9     -19.7907      1.00000
     10     -19.2852      1.00000
     11     -19.2566      1.00000
     12     -19.0732      1.00000
     13     -18.7671      1.00000
     14     -18.7266      1.00000
     15     -18.7070      1.00000
     16     -18.6957      1.00000
     17     -18.0372      1.00000
     18     -18.0152      1.00000
     19     -17.6716      1.00000
     20     -16.7318      1.00000
     21     -16.6834      1.00000
     22     -16.6261      1.00000
     23     -16.6108      1.00000
     24     -16.1719      1.00000
     25     -16.1400      1.00000
     26     -15.2771      1.00000
     27     -15.2592      1.00000
     28     -14.8949      1.00000
     29     -14.8853      1.00000
     30     -14.8777      1.00000
     31     -14.7873      1.00000
     32     -14.7425      1.00000
     33     -14.3748      1.00000
     34     -14.3563      1.00000
     35     -13.4073      1.00000
     36     -13.3819      1.00000
     37     -12.9143      1.00000
     38     -12.3560      1.00000
     39     -12.2548      1.00000
     40     -12.1301      1.00000
     41     -12.1160      1.00000
     42     -11.7696      1.00000
     43     -11.7523      1.00000
     44     -11.3928      1.00000
     45     -11.3639      1.00000
     46     -11.2630      1.00000
     47     -10.9092      1.00000
     48     -10.9032      1.00000
     49     -10.6744      1.00000
     50     -10.6717      1.00000
     51     -10.5938      1.00000
     52     -10.5529      1.00000
     53     -10.2003      1.00000
     54      -9.8830      1.00000
     55      -9.8317      1.00000
     56      -9.7645      1.00000
     57      -9.5689      1.00000
     58      -9.3608      1.00000
     59      -9.3500      1.00000
     60      -9.3257      1.00000
     61      -9.3012      1.00000
     62      -9.2383      1.00000
     63      -9.2002      1.00000
     64      -8.9925      1.00000
     65      -8.9673      1.00000
     66      -8.9254      1.00000
     67      -8.9075      1.00000
     68      -8.8016      1.00000
     69      -8.7889      1.00000
     70      -8.7786      1.00000
     71      -8.6101      1.00000
     72      -8.5476      1.00000
     73      -8.2643      1.00000
     74      -8.2598      1.00000
     75      -7.8235      1.00000
     76      -7.7257      1.00000
     77      -7.5756      1.00000
     78      -7.4982      1.00000
     79      -7.4582      1.00000
     80      -7.4172      1.00000
     81      -7.1463      1.00000
     82      -6.9985      1.00000
     83      -6.9775      1.00000
     84      -6.9448      1.00000
     85      -6.8769      1.00000
     86      -6.6745      1.00000
     87      -6.5609      1.00000
     88      -6.4434      1.00000
     89      -6.3968      1.00000
     90      -6.3031      1.00000
     91      -5.8735      1.00000
     92      -5.8014      1.00000
     93      -5.7672      1.00000
     94      -5.6476      1.00000
     95      -5.5906      1.00000
     96      -5.0416      1.00000
     97      -4.6239      1.00000
     98      -4.5302      1.00000
     99      -4.3539      1.00000
    100      -4.2430      1.00000
    101      -4.1884      1.00000
    102      -3.8369      1.00000
    103      -3.8120      1.00000
    104      -3.7300      1.00000
    105      -3.4580      1.00000
    106      -3.4282      1.00000
    107      -1.8134      0.00000
    108      -1.4226      0.00000
    109      -1.3753      0.00000
    110      -1.0219      0.00000
    111      -0.9989      0.00000
    112      -0.9908      0.00000
    113      -0.8663      0.00000
    114      -0.2786      0.00000
    115       0.0446      0.00000
    116       0.0749      0.00000
    117       0.7357      0.00000
    118       0.9071      0.00000
    119       0.9336      0.00000
    120       1.1995      0.00000
    121       1.2623      0.00000
    122       1.3450      0.00000
    123       1.4258      0.00000
    124       1.4661      0.00000
    125       1.5408      0.00000
    126       1.6778      0.00000
    127       1.7606      0.00000
    128       1.9478      0.00000
    129       1.9667      0.00000
    130       2.1675      0.00000
    131       2.2081      0.00000
    132       2.2305      0.00000
    133       2.3221      0.00000
    134       2.3773      0.00000
    135       2.4178      0.00000
    136       2.5408      0.00000
    137       2.7078      0.00000
    138       2.7375      0.00000
    139       2.7688      0.00000
    140       2.7928      0.00000
    141       2.8657      0.00000
    142       3.0394      0.00000
    143       3.1247      0.00000
    144       3.1372      0.00000
    145       3.1633      0.00000
    146       3.2137      0.00000
    147       3.2263      0.00000
    148       3.4110      0.00000
    149       3.4126      0.00000
    150       3.5055      0.00000
    151       3.5959      0.00000
    152       3.5960      0.00000
    153       3.7721      0.00000
    154       3.8448      0.00000
    155       3.9118      0.00000
    156       3.9905      0.00000
    157       4.1266      0.00000
    158       4.1504      0.00000
    159       4.1943      0.00000
    160       4.4230      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8495      1.00000
      2     -21.7872      1.00000
      3     -21.6172      1.00000
      4     -21.0657      1.00000
      5     -20.7020      1.00000
      6     -20.6797      1.00000
      7     -20.1542      1.00000
      8     -20.1288      1.00000
      9     -19.9463      1.00000
     10     -19.9456      1.00000
     11     -19.6114      1.00000
     12     -19.5670      1.00000
     13     -18.5486      1.00000
     14     -18.4922      1.00000
     15     -17.9925      1.00000
     16     -17.9781      1.00000
     17     -17.8165      1.00000
     18     -17.8107      1.00000
     19     -17.4744      1.00000
     20     -17.4606      1.00000
     21     -16.9428      1.00000
     22     -16.9150      1.00000
     23     -16.8124      1.00000
     24     -16.8045      1.00000
     25     -15.8084      1.00000
     26     -15.5339      1.00000
     27     -15.5313      1.00000
     28     -15.5261      1.00000
     29     -14.8755      1.00000
     30     -14.2257      1.00000
     31     -14.2057      1.00000
     32     -13.9213      1.00000
     33     -13.6739      1.00000
     34     -13.6329      1.00000
     35     -13.5039      1.00000
     36     -13.4904      1.00000
     37     -13.2669      1.00000
     38     -13.2399      1.00000
     39     -13.0357      1.00000
     40     -12.3277      1.00000
     41     -11.8369      1.00000
     42     -11.8245      1.00000
     43     -11.7192      1.00000
     44     -11.6845      1.00000
     45     -11.4155      1.00000
     46     -11.3445      1.00000
     47     -11.1747      1.00000
     48     -10.8108      1.00000
     49     -10.8008      1.00000
     50     -10.4601      1.00000
     51     -10.4052      1.00000
     52     -10.0392      1.00000
     53      -9.8771      1.00000
     54      -9.8663      1.00000
     55      -9.8501      1.00000
     56      -9.7046      1.00000
     57      -9.6673      1.00000
     58      -9.6496      1.00000
     59      -9.4984      1.00000
     60      -9.4651      1.00000
     61      -9.4534      1.00000
     62      -9.4358      1.00000
     63      -9.1353      1.00000
     64      -9.0362      1.00000
     65      -8.7703      1.00000
     66      -8.7351      1.00000
     67      -8.6636      1.00000
     68      -8.6311      1.00000
     69      -8.5301      1.00000
     70      -8.3776      1.00000
     71      -8.3691      1.00000
     72      -8.2426      1.00000
     73      -8.2221      1.00000
     74      -8.1275      1.00000
     75      -8.1272      1.00000
     76      -8.0104      1.00000
     77      -7.9746      1.00000
     78      -7.7643      1.00000
     79      -7.7284      1.00000
     80      -7.6391      1.00000
     81      -7.3800      1.00000
     82      -7.2978      1.00000
     83      -7.1729      1.00000
     84      -6.7529      1.00000
     85      -6.6428      1.00000
     86      -6.5783      1.00000
     87      -6.3150      1.00000
     88      -6.2227      1.00000
     89      -6.1688      1.00000
     90      -6.1272      1.00000
     91      -6.0597      1.00000
     92      -5.6738      1.00000
     93      -5.4849      1.00000
     94      -5.4530      1.00000
     95      -5.2937      1.00000
     96      -5.0947      1.00000
     97      -4.9113      1.00000
     98      -4.9057      1.00000
     99      -4.8838      1.00000
    100      -4.4696      1.00000
    101      -4.1557      1.00000
    102      -4.0224      1.00000
    103      -3.9587      1.00000
    104      -3.5904      1.00000
    105      -3.5368      1.00000
    106      -2.9746      1.00000
    107      -2.0893      0.00000
    108      -1.7325      0.00000
    109      -0.8630      0.00000
    110      -0.8576      0.00000
    111      -0.8464      0.00000
    112      -0.8418      0.00000
    113      -0.1959      0.00000
    114      -0.1798      0.00000
    115      -0.0401      0.00000
    116      -0.0159      0.00000
    117       0.2867      0.00000
    118       0.2932      0.00000
    119       0.7501      0.00000
    120       0.8525      0.00000
    121       0.9866      0.00000
    122       1.0292      0.00000
    123       1.2384      0.00000
    124       1.5557      0.00000
    125       1.5731      0.00000
    126       1.6429      0.00000
    127       1.9549      0.00000
    128       2.0416      0.00000
    129       2.0504      0.00000
    130       2.1294      0.00000
    131       2.2988      0.00000
    132       2.3655      0.00000
    133       2.5413      0.00000
    134       2.5542      0.00000
    135       2.6464      0.00000
    136       2.8234      0.00000
    137       2.9166      0.00000
    138       2.9492      0.00000
    139       3.0168      0.00000
    140       3.0473      0.00000
    141       3.1171      0.00000
    142       3.1580      0.00000
    143       3.1891      0.00000
    144       3.2074      0.00000
    145       3.3258      0.00000
    146       3.3664      0.00000
    147       3.4276      0.00000
    148       3.4714      0.00000
    149       3.5003      0.00000
    150       3.5496      0.00000
    151       3.5563      0.00000
    152       3.5805      0.00000
    153       3.6211      0.00000
    154       3.6667      0.00000
    155       3.7918      0.00000
    156       3.9054      0.00000
    157       3.9357      0.00000
    158       4.0297      0.00000
    159       4.1727      0.00000
    160       4.2402      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9331      1.00000
      2     -21.7378      1.00000
      3     -21.3750      1.00000
      4     -21.3464      1.00000
      5     -20.6370      1.00000
      6     -20.6009      1.00000
      7     -20.2663      1.00000
      8     -20.2377      1.00000
      9     -20.2311      1.00000
     10     -19.6923      1.00000
     11     -19.1777      1.00000
     12     -19.1483      1.00000
     13     -18.9820      1.00000
     14     -18.9667      1.00000
     15     -18.1047      1.00000
     16     -18.0703      1.00000
     17     -17.6022      1.00000
     18     -17.5775      1.00000
     19     -17.4193      1.00000
     20     -17.3825      1.00000
     21     -17.1165      1.00000
     22     -17.0940      1.00000
     23     -16.9871      1.00000
     24     -16.1707      1.00000
     25     -16.1353      1.00000
     26     -15.6501      1.00000
     27     -15.0831      1.00000
     28     -15.0646      1.00000
     29     -14.7728      1.00000
     30     -14.7509      1.00000
     31     -14.4966      1.00000
     32     -14.4886      1.00000
     33     -13.9952      1.00000
     34     -13.9264      1.00000
     35     -13.1539      1.00000
     36     -13.0733      1.00000
     37     -12.8543      1.00000
     38     -12.8301      1.00000
     39     -12.6673      1.00000
     40     -12.6452      1.00000
     41     -12.2860      1.00000
     42     -12.2636      1.00000
     43     -11.8837      1.00000
     44     -11.2721      1.00000
     45     -11.2504      1.00000
     46     -11.1811      1.00000
     47     -10.9811      1.00000
     48     -10.9391      1.00000
     49     -10.8104      1.00000
     50     -10.3853      1.00000
     51     -10.3422      1.00000
     52     -10.0947      1.00000
     53      -9.9818      1.00000
     54      -9.9814      1.00000
     55      -9.8589      1.00000
     56      -9.8008      1.00000
     57      -9.7673      1.00000
     58      -9.4831      1.00000
     59      -9.4240      1.00000
     60      -9.3895      1.00000
     61      -9.3749      1.00000
     62      -9.3698      1.00000
     63      -9.3225      1.00000
     64      -9.0379      1.00000
     65      -9.0230      1.00000
     66      -8.9954      1.00000
     67      -8.6502      1.00000
     68      -8.6281      1.00000
     69      -8.5789      1.00000
     70      -8.4585      1.00000
     71      -8.2651      1.00000
     72      -8.1964      1.00000
     73      -8.0939      1.00000
     74      -8.0581      1.00000
     75      -7.9680      1.00000
     76      -7.9628      1.00000
     77      -7.9195      1.00000
     78      -7.9019      1.00000
     79      -7.9009      1.00000
     80      -7.4856      1.00000
     81      -7.2274      1.00000
     82      -7.0393      1.00000
     83      -6.9535      1.00000
     84      -6.8844      1.00000
     85      -6.8294      1.00000
     86      -6.6808      1.00000
     87      -6.6404      1.00000
     88      -6.2788      1.00000
     89      -6.2743      1.00000
     90      -6.1414      1.00000
     91      -5.9361      1.00000
     92      -5.6257      1.00000
     93      -5.5195      1.00000
     94      -5.3924      1.00000
     95      -5.3246      1.00000
     96      -4.9980      1.00000
     97      -4.9682      1.00000
     98      -4.9050      1.00000
     99      -4.8822      1.00000
    100      -4.2507      1.00000
    101      -4.1722      1.00000
    102      -3.9707      1.00000
    103      -3.8007      1.00000
    104      -3.6224      1.00000
    105      -3.5109      1.00000
    106      -3.3676      1.00000
    107      -1.7481      0.00000
    108      -1.5068      0.00000
    109      -1.4690      0.00000
    110      -0.7794      0.00000
    111      -0.7105      0.00000
    112      -0.6966      0.00000
    113      -0.3503      0.00000
    114      -0.3398      0.00000
    115      -0.3037      0.00000
    116      -0.2872      0.00000
    117       0.4589      0.00000
    118       0.5315      0.00000
    119       0.8143      0.00000
    120       1.0633      0.00000
    121       1.1210      0.00000
    122       1.3295      0.00000
    123       1.5255      0.00000
    124       1.5492      0.00000
    125       1.6238      0.00000
    126       1.7132      0.00000
    127       1.8600      0.00000
    128       1.9064      0.00000
    129       1.9525      0.00000
    130       2.0209      0.00000
    131       2.1532      0.00000
    132       2.2625      0.00000
    133       2.3472      0.00000
    134       2.4940      0.00000
    135       2.6213      0.00000
    136       2.6564      0.00000
    137       2.6922      0.00000
    138       2.7535      0.00000
    139       2.8868      0.00000
    140       2.9260      0.00000
    141       3.0227      0.00000
    142       3.1915      0.00000
    143       3.2109      0.00000
    144       3.2439      0.00000
    145       3.3550      0.00000
    146       3.3826      0.00000
    147       3.4561      0.00000
    148       3.5677      0.00000
    149       3.6225      0.00000
    150       3.6363      0.00000
    151       3.6679      0.00000
    152       3.7153      0.00000
    153       3.8198      0.00000
    154       3.8546      0.00000
    155       3.9115      0.00000
    156       3.9148      0.00000
    157       3.9947      0.00000
    158       4.0314      0.00000
    159       4.0775      0.00000
    160       4.0868      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8852   -7.1183    4.1321   -1.3436   -0.2917   17.9797   -0.2854   -0.0284    0.1591   -0.1183
x    -3.2538   -0.0116   -0.0004   -0.0468    0.1019   -3.0515    0.0187   -0.0218    0.0097    0.0027
x    -0.1011    0.0018   -0.0003   -0.0004    0.0005   -0.0234   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8852    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0008    0.0009    0.0036   -0.0969   -0.0414    0.0832    0.0201
y     0.0047   -3.2688   -0.0623    0.2274   -2.3939   -0.6396
z   203.8852    1.5000    0.2850    0.1065    0.0438    0.0783   -0.0027   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0859    0.0043   -0.0015    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4428
z    -0.4206    0.1501    0.0493    0.1379   -0.0815    0.0003
 total charge-density along one line
x   212.0000  -10.0925    6.1824   -2.2003   -0.5431   19.9721   -1.5340    1.0931   -0.6230    0.2967
x    -2.8519    0.0060    0.0200   -0.0536    0.0872   -2.3210    0.0256   -0.0280    0.0131    0.0038
x    -0.0951    0.0073   -0.0047    0.0022   -0.0006   -0.0348   -0.0003   -0.0003    0.0004   -0.0003
x    -0.0056    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
x    -0.0004    0.0000    0.0000    0.0000    0.0001   -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  -10.0925    6.1824   -2.2003   -0.5431   19.9721   -1.5340    1.0931   -0.6230    0.2967
y    -2.8519    0.0060    0.0200   -0.0536    0.0872   -2.3210    0.0256   -0.0280    0.0131    0.0038
y    -0.0951    0.0073   -0.0047    0.0022   -0.0006   -0.0348   -0.0003   -0.0003    0.0004   -0.0003
y    -0.0056    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
y    -0.0004    0.0000    0.0000    0.0000    0.0001   -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 -205.1459  189.0990 -171.5307  155.1602 -138.8680  122.8135 -108.2010   94.3345  -79.5466
z    64.1708  -50.3440   39.4181  -31.0685   24.4991  -19.2622   15.0151  -11.4077    8.3599   -5.9930
z     4.2497   -2.8873    1.7972   -1.0387    0.5738   -0.2224   -0.1029    0.3224   -0.3875    0.3904
z    -0.4247    0.4635   -0.4416    0.3710   -0.3103    0.2769   -0.2465    0.2082   -0.1732    0.1457
z    -0.1200    0.0964   -0.0796    0.0675   -0.0549    0.0434   -0.0369    0.0332   -0.0277    0.0213
z    -0.0176    0.0163   -0.0143    0.0109   -0.0082    0.0070   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.738   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.929   0.000   0.042   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.053   0.000   0.008   0.002   0.000   0.209
  0.000   0.042   0.000 -10.977   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.738   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.209   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.200   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.094   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.020   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.738   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.929   0.000   0.042   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.053   0.000   0.008   0.002   0.000   0.209
  0.000   0.042   0.000 -10.977   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.738   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.209   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.200   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.094   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.020   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.040   0.000  -0.002   0.091   0.000  -0.024   0.000  -0.008   0.065  -0.013   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.092   0.000   0.000   0.238   0.000  -0.071   0.000   0.000   0.000   0.015   0.000   0.019   0.023
  0.040   0.000   1.720   0.000  -0.020  -0.013   0.000   0.404   0.000   0.006  -0.313   0.024   0.000  -0.025   0.000   0.000
  0.000   0.092   0.000   1.775   0.000   0.000  -0.071   0.000   0.316   0.000   0.000   0.000   0.019   0.000  -0.004  -0.001
 -0.002   0.000  -0.020   0.000   1.951  -0.008   0.000   0.012   0.000   0.080  -0.057   0.006   0.000  -0.007   0.000   0.000
  0.091   0.000  -0.013   0.000  -0.008   0.031   0.000  -0.038   0.000   0.005  -0.066   0.028   0.000   0.026   0.000   0.000
  0.000   0.238   0.000  -0.071   0.000   0.000   0.148   0.000  -0.077   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.404   0.000   0.012  -0.038   0.000   0.674   0.000   0.023   0.519  -0.356   0.000  -0.105   0.000   0.000
  0.000  -0.071   0.000   0.316   0.000   0.000  -0.077   0.000   0.238   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.008   0.000   0.006   0.000   0.080   0.005   0.000   0.023   0.000   0.038   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.065   0.000  -0.313   0.000  -0.057  -0.066   0.000   0.519   0.000   0.043   0.877  -0.391   0.000  -0.155   0.000   0.000
 -0.013   0.000   0.024   0.000   0.006   0.028   0.000  -0.356   0.000  -0.016  -0.391   0.273   0.000   0.081   0.000   0.000
  0.000   0.015   0.000   0.019   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.025   0.000  -0.007   0.026   0.000  -0.105   0.000  -0.015  -0.155   0.081   0.000   0.172   0.000   0.000
  0.000   0.019   0.000  -0.004   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.029   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.025   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.430   0.164   8.205   8.800
  2        0.629   0.031   0.000   0.660
  3        0.545   0.027   0.000   0.573
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.645
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.786   0.000   2.649
 13        0.864   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.773   0.000   2.637
 17        0.850   1.758   0.000   2.608
 18        0.863   1.786   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.646
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.648
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.646
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.773   0.000   2.637
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.864   1.782   0.000   2.645
 46        0.863   1.786   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.645
------------------------------------------------
tot       44.746  89.259   8.205 142.211
 


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


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


    CHARGE:  VPU time  114.68: CPU time   57.91
    FORLOC:  VPU time    1.23: CPU time    1.23
    FORNL :  VPU time  439.91: CPU time  220.64
    STRESS:  VPU time 1336.92: CPU time  672.27
    FORCOR:  VPU time    8.64: CPU time    8.64
    FORHAR:  VPU time    2.26: CPU time    2.25
    MIXING:  VPU time    0.23: CPU time    0.23


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.336283 eV

  energy  without entropy=     -470.336283  energy(sigma->0) =     -470.336283
 

  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    40616.62  40580.42 -47257.07    -31.35      0.00      0.00
  Hartree  40138.67  40124.58 -39367.23    -12.20      0.00      0.00
  E(xc)     -779.88   -780.01   -807.01     -0.11      0.00      0.00
  Local   -83042.82 -82998.17  83952.74     38.67      0.00      0.00
  n-local   -223.91   -221.73   -215.65      1.11      0.00      0.00
  augment     21.42     21.93     18.83      0.44      0.00      0.00
  Kinetic   3172.79   3181.67   3581.06     -0.45      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.69     -1.23     -0.39     -1.66      0.00      0.00
  in kB        0.42     -0.75     -0.23     -1.01      0.00      0.00
  external pressure =       -0.19 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.347757987  0.008025912  0.000000000     0.080956027  0.046669918  0.000000000
    -6.166934995 10.697480969  0.000000000    -0.000060738  0.093444937  0.000000000
     0.000000000  0.000000000 19.964233122     0.000000000  0.000000000  0.050089577

  length of vectors
    12.347760595 12.347760376 19.964233122     0.093444955  0.093444956  0.050089577


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.516E-05 -.458E-04 -.104E+04   0.582E-05 -.294E-04 0.104E+04   0.244E-20 -.635E-21 0.326E+01   0.248E-08 -.152E-07 0.135E-01
   -.841E-09 -.806E-05 -.107E+03   -.706E-07 -.948E-06 0.104E+03   0.529E-21 0.000E+00 0.349E+01   -.387E-10 -.746E-09 -.643E-04
   0.496E-07 -.674E-05 -.114E+03   -.706E-07 -.598E-06 0.118E+03   0.424E-21 0.424E-21 -.460E+01   -.663E-10 -.391E-09 -.538E-03
   -.143E+01 0.827E+00 0.219E+02   0.139E+01 -.801E+00 -.219E+02   -.291E-01 0.168E-01 0.198E-01   -.634E-03 0.364E-03 0.134E-02
   0.607E+01 0.637E+01 0.247E+02   -.612E+01 -.636E+01 -.247E+02   -.305E-01 0.369E-01 -.208E-02   -.705E-03 0.107E-02 0.153E-02
   0.113E+02 0.528E+01 0.208E+02   -.113E+02 -.527E+01 -.207E+02   -.160E-01 0.311E-01 -.495E-01   -.684E-03 0.684E-03 0.145E-02
   0.474E+01 -.140E+01 0.189E+02   -.480E+01 0.144E+01 -.190E+02   -.563E-02 -.101E-01 0.286E-01   -.482E-03 0.537E-03 0.976E-03
   -.230E+01 -.280E+01 0.175E+02   0.226E+01 0.284E+01 -.175E+02   -.372E-01 -.172E-02 0.239E-01   -.301E-03 0.100E-03 0.112E-02
   0.128E+01 0.339E+01 0.175E+02   -.133E+01 -.338E+01 -.175E+02   -.171E-01 0.331E-01 0.239E-01   -.241E-03 0.207E-03 0.111E-02
   0.345E+01 0.179E+02 0.283E+02   -.351E+01 -.179E+02 -.284E+02   -.155E-01 0.555E-01 0.293E-01   -.497E-03 0.669E-03 0.150E-02
   0.211E+02 0.233E+02 0.400E+02   -.212E+02 -.234E+02 -.399E+02   0.238E-01 0.200E+00 -.106E+00   -.921E-04 0.135E-02 0.191E-02
   0.273E+02 -.546E+01 0.257E+02   -.276E+02 0.560E+01 -.257E+02   0.176E+00 -.858E-01 0.566E-01   -.796E-03 0.765E-03 0.119E-02
   0.989E+01 -.571E+01 0.164E+02   -.994E+01 0.574E+01 -.165E+02   -.420E-01 0.242E-01 0.427E-01   -.771E-03 0.441E-03 0.124E-02
   0.358E+01 -.341E+01 0.189E+02   -.365E+01 0.344E+01 -.190E+02   0.595E-02 0.994E-02 0.286E-01   -.707E-03 0.146E-03 0.969E-03
   -.559E+01 0.128E+02 0.220E+02   0.554E+01 -.128E+02 -.220E+02   -.924E-02 0.678E-01 0.274E-01   0.116E-03 0.970E-03 0.125E-02
   -.121E+02 0.343E+02 0.389E+02   0.120E+02 -.348E+02 -.395E+02   -.982E-02 0.508E+00 0.546E+00   -.100E-02 0.140E-02 0.193E-02
   0.339E+02 -.196E+02 0.476E+02   -.351E+02 0.203E+02 -.502E+02   0.121E+01 -.700E+00 0.261E+01   0.295E-03 -.173E-03 0.245E-02
   0.184E+02 -.210E+02 0.257E+02   -.186E+02 0.211E+02 -.257E+02   0.162E+00 -.110E+00 0.566E-01   -.106E-02 0.303E-03 0.118E-02
   0.106E+01 -.124E+02 0.208E+02   -.109E+01 0.124E+02 -.207E+02   -.350E-01 -.167E-02 -.495E-01   -.934E-03 0.249E-03 0.145E-02
   -.354E+01 0.104E+01 0.160E+02   0.350E+01 -.102E+01 -.159E+02   -.307E-01 0.229E-01 -.399E-01   -.126E-02 0.668E-03 0.105E-02
   -.173E+02 0.996E+01 0.188E+02   0.172E+02 -.995E+01 -.186E+02   -.629E-01 0.363E-01 -.162E+00   -.107E-02 0.617E-03 0.107E-02
   -.357E+02 -.672E+01 0.389E+02   0.361E+02 0.701E+01 -.395E+02   -.445E+00 -.245E+00 0.546E+00   -.171E-02 0.168E-03 0.193E-02
   -.958E+01 -.299E+02 0.400E+02   0.968E+01 0.301E+02 -.399E+02   -.162E+00 -.121E+00 -.106E+00   -.122E-02 -.599E-03 0.191E-02
   -.248E+01 -.844E+01 0.247E+02   0.244E+01 0.848E+01 -.247E+02   -.472E-01 0.797E-02 -.208E-02   -.128E-02 0.721E-04 0.153E-02
   0.138E+01 -.795E+00 0.178E+02   -.142E+01 0.820E+00 -.177E+02   -.311E-01 0.180E-01 -.309E-01   -.133E-02 0.770E-03 0.106E-02
   -.267E+01 0.254E+01 0.160E+02   0.263E+01 -.253E+01 -.159E+02   -.352E-01 0.152E-01 -.399E-01   -.121E-02 0.756E-03 0.105E-02
   -.139E+02 -.154E+01 0.220E+02   0.138E+02 0.160E+01 -.220E+02   -.633E-01 -.259E-01 0.274E-01   -.781E-03 -.587E-03 0.126E-02
   -.138E+02 -.119E+02 0.283E+02   0.138E+02 0.120E+02 -.284E+02   -.558E-01 -.143E-01 0.293E-01   -.827E-03 0.924E-04 0.150E-02
   0.248E+01 0.844E+01 0.247E+02   -.244E+01 -.848E+01 -.247E+02   0.472E-01 -.797E-02 -.208E-02   0.128E-02 -.721E-04 0.153E-02
   0.138E+02 0.119E+02 0.283E+02   -.138E+02 -.120E+02 -.284E+02   0.558E-01 0.143E-01 0.293E-01   0.827E-03 -.924E-04 0.150E-02
   0.139E+02 0.154E+01 0.220E+02   -.138E+02 -.160E+01 -.220E+02   0.633E-01 0.259E-01 0.274E-01   0.781E-03 0.587E-03 0.126E-02
   0.267E+01 -.254E+01 0.160E+02   -.263E+01 0.253E+01 -.159E+02   0.352E-01 -.152E-01 -.399E-01   0.121E-02 -.756E-03 0.105E-02
   -.138E+01 0.795E+00 0.178E+02   0.142E+01 -.820E+00 -.177E+02   0.311E-01 -.180E-01 -.309E-01   0.133E-02 -.770E-03 0.106E-02
   -.106E+01 0.124E+02 0.208E+02   0.109E+01 -.124E+02 -.207E+02   0.350E-01 0.167E-02 -.495E-01   0.934E-03 -.249E-03 0.145E-02
   0.958E+01 0.299E+02 0.400E+02   -.968E+01 -.301E+02 -.399E+02   0.162E+00 0.121E+00 -.106E+00   0.122E-02 0.599E-03 0.191E-02
   0.357E+02 0.672E+01 0.389E+02   -.361E+02 -.701E+01 -.395E+02   0.445E+00 0.245E+00 0.546E+00   0.171E-02 -.168E-03 0.193E-02
   0.173E+02 -.996E+01 0.188E+02   -.172E+02 0.995E+01 -.186E+02   0.629E-01 -.363E-01 -.162E+00   0.107E-02 -.617E-03 0.107E-02
   0.354E+01 -.104E+01 0.160E+02   -.350E+01 0.102E+01 -.159E+02   0.307E-01 -.229E-01 -.399E-01   0.126E-02 -.668E-03 0.105E-02
   -.358E+01 0.341E+01 0.189E+02   0.365E+01 -.344E+01 -.190E+02   -.595E-02 -.994E-02 0.286E-01   0.707E-03 -.146E-03 0.969E-03
   -.184E+02 0.210E+02 0.257E+02   0.186E+02 -.211E+02 -.257E+02   -.162E+00 0.110E+00 0.566E-01   0.106E-02 -.303E-03 0.118E-02
   -.339E+02 0.196E+02 0.476E+02   0.351E+02 -.203E+02 -.502E+02   -.121E+01 0.700E+00 0.261E+01   -.295E-03 0.173E-03 0.245E-02
   0.121E+02 -.343E+02 0.389E+02   -.120E+02 0.348E+02 -.395E+02   0.982E-02 -.508E+00 0.546E+00   0.100E-02 -.140E-02 0.193E-02
   0.559E+01 -.128E+02 0.220E+02   -.554E+01 0.128E+02 -.220E+02   0.924E-02 -.678E-01 0.274E-01   -.116E-03 -.970E-03 0.125E-02
   -.128E+01 -.339E+01 0.175E+02   0.133E+01 0.338E+01 -.175E+02   0.171E-01 -.331E-01 0.239E-01   0.241E-03 -.207E-03 0.111E-02
   -.989E+01 0.571E+01 0.164E+02   0.994E+01 -.574E+01 -.165E+02   0.420E-01 -.242E-01 0.427E-01   0.771E-03 -.441E-03 0.124E-02
   -.273E+02 0.546E+01 0.257E+02   0.276E+02 -.560E+01 -.257E+02   -.176E+00 0.858E-01 0.566E-01   0.796E-03 -.765E-03 0.119E-02
   -.211E+02 -.233E+02 0.400E+02   0.212E+02 0.234E+02 -.399E+02   -.238E-01 -.200E+00 -.106E+00   0.921E-04 -.135E-02 0.191E-02
   -.345E+01 -.179E+02 0.283E+02   0.351E+01 0.179E+02 -.284E+02   0.155E-01 -.555E-01 0.293E-01   0.497E-03 -.669E-03 0.150E-02
   0.143E+01 -.827E+00 0.219E+02   -.139E+01 0.801E+00 -.219E+02   0.291E-01 -.168E-01 0.198E-01   0.634E-03 -.364E-03 0.134E-02
   0.230E+01 0.280E+01 0.175E+02   -.226E+01 -.284E+01 -.175E+02   0.372E-01 0.172E-02 0.239E-01   0.301E-03 -.100E-03 0.112E-02
   -.474E+01 0.140E+01 0.189E+02   0.480E+01 -.144E+01 -.190E+02   0.563E-02 0.101E-01 0.286E-01   0.482E-03 -.537E-03 0.976E-03
   -.113E+02 -.528E+01 0.208E+02   0.113E+02 0.527E+01 -.207E+02   0.160E-01 -.311E-01 -.495E-01   0.684E-03 -.684E-03 0.145E-02
   -.607E+01 -.637E+01 0.247E+02   0.612E+01 0.636E+01 -.247E+02   0.305E-01 -.369E-01 -.208E-02   0.705E-03 -.107E-02 0.153E-02
 -----------------------------------------------------------------------------------------------
   -.175E-02 0.256E-03 -.926E+01   -.380E-12 -.249E-12 -.441E-12   0.226E-15 -.167E-15 0.917E+01   -.292E-08 -.147E-07 0.828E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85610      6.06538     12.22962         0.000000      0.000000      0.046921
      1.85610      6.06538     14.01313         0.000000      0.000000     -0.013684
      1.85610      6.06538     14.78298         0.000000      0.000000     -0.007313
     -6.16574     10.69679      9.91708        -0.075457      0.043565     -0.001934
     11.11443      2.14608      9.92071        -0.081190      0.050428     -0.002295
      9.87917      4.28624      9.94519        -0.067634      0.037462      0.001296
      8.64697      6.42627      9.94516        -0.066723      0.031623     -0.000857
     -4.93072      8.55783      9.93601        -0.075449      0.038703     -0.004457
     -3.69583     10.69672      9.93601        -0.071242      0.045989     -0.004457
      1.23674      2.13872      9.94403        -0.075820      0.023028     -0.004404
     -0.00218      4.27831      9.99743        -0.056787      0.035311      0.005010
     -1.23674      6.41775     10.00675        -0.076993      0.053297      0.001102
     -2.46117      8.55796      9.96009        -0.090759      0.052400     -0.003622
      4.93900      0.00387      9.94516        -0.060748      0.041972     -0.000857
      3.70665      2.13753      9.95900        -0.061906      0.044396      0.002402
      2.47544      4.25910     10.07582        -0.080742      0.043230      0.025046
      1.22341      6.43067     10.22645        -0.048469      0.027984     -0.036614
      0.00453      8.56768     10.00675        -0.084653      0.040030      0.001102
      7.40842      0.00678      9.94519        -0.066260      0.039842      0.001296
      6.17509      2.14391      9.94693        -0.063737      0.050844     -0.002097
      4.94437      4.28237      9.99774        -0.087899      0.050749     -0.008321
      3.73005      6.43216     10.07582        -0.077809      0.048310      0.025046
      2.47461      8.56824      9.99743        -0.058973      0.031523      0.005010
      9.87948      0.00709      9.92071        -0.084267      0.045099     -0.002295
      8.64447      2.14612      9.92811        -0.076109      0.043942     -0.003961
      7.41169      4.28577      9.94693        -0.075901      0.029776     -0.002097
      6.18299      6.42669      9.95900        -0.069401      0.031414      0.002402
      4.94701      8.56509      9.94403        -0.057853      0.054148     -0.004404
     -0.00035      1.42619      9.92071         0.084267     -0.045099     -0.002295
     -1.23481      3.56567      9.94403         0.057853     -0.054148     -0.004404
     -2.47080      5.70408      9.95900         0.069401     -0.031414      0.002402
     -3.69949      7.84500      9.94693         0.075901     -0.029776     -0.002097
     -4.93227      9.98465      9.92811         0.076109     -0.043942     -0.003961
      2.47071      1.42651      9.94519         0.066260     -0.039842      0.001296
      1.23759      3.56253      9.99743         0.058973     -0.031523      0.005010
     -0.01785      5.69861     10.07582         0.077809     -0.048310      0.025046
     -1.23217      7.84840      9.99774         0.087899     -0.050749     -0.008321
     -2.46289      9.98685      9.94693         0.063737     -0.050844     -0.002097
      4.94013      1.42942      9.94516         0.060748     -0.041972     -0.000857
      3.70767      3.56309     10.00675         0.084653     -0.040030      0.001102
      2.48879      5.70010     10.22645         0.048469     -0.027984     -0.036614
      1.23676      7.87166     10.07582         0.080742     -0.043230      0.025046
      0.00555      9.99323      9.95900         0.061906     -0.044396      0.002402
      7.40803      1.43405      9.93601         0.071242     -0.045989     -0.004457
      6.17337      3.57281      9.96009         0.090759     -0.052400     -0.003622
      4.94893      5.71302     10.00675         0.076993     -0.053297      0.001102
      3.71438      7.85246      9.99743         0.056787     -0.035311      0.005010
      2.47545      9.99204      9.94403         0.075820     -0.023028     -0.004404
      9.87793      1.43398      9.91708         0.075457     -0.043565     -0.001934
      8.64292      3.57294      9.93601         0.075449     -0.038703     -0.004457
      7.41298      5.71252      9.94516         0.066723     -0.031623     -0.000857
      6.18079      7.85255      9.94519         0.067634     -0.037462      0.001296
      4.94553      9.99271      9.92071         0.081190     -0.050428     -0.002295
 -----------------------------------------------------------------------------------
    total drift:                               -0.001750      0.000256     -0.005568


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




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


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  183.04: CPU time   91.64
     LOOP+:  VPU time14645.05: CPU time 7560.57


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


    POTLOK:  VPU time    9.10: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1811.43: CPU time  938.66
 BZINTS: Fermi energy: -2.805242;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.68: CPU time   57.48
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1934.77: CPU time 1005.74

 eigenvalue-minimisations  :  6032
 total energy-change (2. order) :-0.4703083E+03  (-0.3298149E+00)
 number of electron  212.0000057 magnetization    0.0000000
 augmentation part     8.1160657 magnetization   -0.0000004

 Broyden mixing:
  rms(total) = 0.60035E-01    rms(broyden)= 0.60001E-01
  rms(prec ) = 0.64265E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33931.55570556
  -1/2 Hartree   DENC   =    -40887.89542219
  -V(xc)+E(xc)   XCENC  =       726.68538921
  PAW double counting   =      4080.74305787    -4117.41444965
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.42240161
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.30826721 eV

  energy without entropy =     -470.30826721  energy(sigma->0) =     -470.30826721


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




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


    POTLOK:  VPU time    8.40: CPU time    8.40
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1908.12: CPU time  985.46
 BZINTS: Fermi energy: -2.803325;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.85: CPU time   57.60
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2030.90: CPU time 1051.96

 eigenvalue-minimisations  :  6432
 total energy-change (2. order) : 0.9440741E-03  (-0.9399449E-02)
 number of electron  212.0000057 magnetization    0.0000000
 augmentation part     8.1155850 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.42659E-01    rms(broyden)= 0.42656E-01
  rms(prec ) = 0.45329E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3819
  2.3819

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33931.55570556
  -1/2 Hartree   DENC   =    -40887.70792086
  -V(xc)+E(xc)   XCENC  =       726.68149033
  PAW double counting   =      4080.61296383    -4117.27331119
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.61610440
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.30732314 eV

  energy without entropy =     -470.30732314  energy(sigma->0) =     -470.30732314


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




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


    POTLOK:  VPU time    9.06: CPU time    9.06
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1860.55: CPU time  961.59
 BZINTS: Fermi energy: -2.799360;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.36: CPU time   57.62
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 1984.54: CPU time 1028.81

 eigenvalue-minimisations  :  6224
 total energy-change (2. order) : 0.5491146E-02  (-0.1901195E-02)
 number of electron  212.0000057 magnetization    0.0000000
 augmentation part     8.1164665 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.65057E-02    rms(broyden)= 0.65023E-02
  rms(prec ) = 0.70676E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5697
  2.0087  1.1308

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33931.55570556
  -1/2 Hartree   DENC   =    -40887.43170974
  -V(xc)+E(xc)   XCENC  =       726.67427593
  PAW double counting   =      4080.15260630    -4116.80150990
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.89105374
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.30183199 eV

  energy without entropy =     -470.30183199  energy(sigma->0) =     -470.30183199


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




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


    POTLOK:  VPU time    9.06: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2005.14: CPU time 1032.93
 BZINTS: Fermi energy: -2.798559;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.35: CPU time   57.64
    MIXING:  VPU time    0.21: CPU time    0.20
    ------------------------------------------
      LOOP:  VPU time 2129.13: CPU time 1100.21

 eigenvalue-minimisations  :  6848
 total energy-change (2. order) :-0.6535444E-04  (-0.2869088E-03)
 number of electron  212.0000057 magnetization    0.0000000
 augmentation part     8.1158592 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.25276E-02    rms(broyden)= 0.25276E-02
  rms(prec ) = 0.26451E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6087
  2.1934  1.3163  1.3163

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33931.55570556
  -1/2 Hartree   DENC   =    -40887.46261049
  -V(xc)+E(xc)   XCENC  =       726.67560794
  PAW double counting   =      4080.26585729    -4116.91515927
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.86115196
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.30189735 eV

  energy without entropy =     -470.30189735  energy(sigma->0) =     -470.30189735


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




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


    POTLOK:  VPU time    9.11: CPU time    9.11
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1405.34: CPU time  723.47
 BZINTS: Fermi energy: -2.872527;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1414.86: CPU time  732.97

 eigenvalue-minimisations  :  4144
 total energy-change (2. order) :-0.2556928E-05  (-0.5695003E-05)
 number of electron  212.0000057 magnetization    0.0000000
 augmentation part     8.1158592 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33931.55570556
  -1/2 Hartree   DENC   =    -40887.42722230
  -V(xc)+E(xc)   XCENC  =       726.67497344
  PAW double counting   =      4080.19886067    -4116.84763574
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.89643513
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.30189990 eV

  energy without entropy =     -470.30189990  energy(sigma->0) =     -470.30189990


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




 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 -57.8067       2 -41.9889       3 -42.1021       4 -57.9937       5 -57.9900
       6 -57.9922       7 -57.9920       8 -57.9921       9 -57.9921      10 -57.9980
      11 -58.0269      12 -58.0104      13 -58.0014      14 -57.9920      15 -57.9993
      16 -58.1549      17 -58.5624      18 -58.0104      19 -57.9922      20 -57.9940
      21 -58.0102      22 -58.1549      23 -58.0269      24 -57.9900      25 -57.9860
      26 -57.9940      27 -57.9994      28 -57.9980      29 -57.9899      30 -57.9979
      31 -57.9992      32 -57.9939      33 -57.9859      34 -57.9921      35 -58.0268
      36 -58.1548      37 -58.0101      38 -57.9939      39 -57.9919      40 -58.0103
      41 -58.5624      42 -58.1549      43 -57.9993      44 -57.9920      45 -58.0013
      46 -58.0103      47 -58.0268      48 -57.9979      49 -57.9936      50 -57.9920
      51 -57.9919      52 -57.9921      53 -57.9900
 
 
 
 E-fermi :  -2.8725     XC(G=0):  -2.3684     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     -22.0792      1.00000
      2     -21.2457      1.00000
      3     -21.1356      1.00000
      4     -21.1230      1.00000
      5     -21.1153      1.00000
      6     -21.1003      1.00000
      7     -21.0982      1.00000
      8     -19.3808      1.00000
      9     -19.3042      1.00000
     10     -19.2956      1.00000
     11     -19.2847      1.00000
     12     -19.2733      1.00000
     13     -19.2642      1.00000
     14     -18.4704      1.00000
     15     -18.4212      1.00000
     16     -18.4031      1.00000
     17     -18.3784      1.00000
     18     -18.3763      1.00000
     19     -18.3717      1.00000
     20     -16.3146      1.00000
     21     -16.3030      1.00000
     22     -16.2882      1.00000
     23     -16.2223      1.00000
     24     -16.2183      1.00000
     25     -16.2087      1.00000
     26     -15.2963      1.00000
     27     -15.2730      1.00000
     28     -15.2721      1.00000
     29     -15.2683      1.00000
     30     -15.2201      1.00000
     31     -15.1599      1.00000
     32     -13.9637      1.00000
     33     -13.9291      1.00000
     34     -13.9133      1.00000
     35     -13.9015      1.00000
     36     -13.8779      1.00000
     37     -13.8674      1.00000
     38     -11.7288      1.00000
     39     -11.6004      1.00000
     40     -11.5840      1.00000
     41     -11.5164      1.00000
     42     -11.5071      1.00000
     43     -11.4999      1.00000
     44     -11.4426      1.00000
     45     -11.4193      1.00000
     46     -11.4110      1.00000
     47     -11.3995      1.00000
     48     -11.3820      1.00000
     49     -11.3780      1.00000
     50     -11.1274      1.00000
     51     -10.2518      1.00000
     52     -10.0937      1.00000
     53     -10.0743      1.00000
     54     -10.0606      1.00000
     55     -10.0562      1.00000
     56      -9.9851      1.00000
     57      -9.9725      1.00000
     58      -9.4065      1.00000
     59      -9.1428      1.00000
     60      -9.0957      1.00000
     61      -9.0518      1.00000
     62      -9.0417      1.00000
     63      -9.0347      1.00000
     64      -8.8360      1.00000
     65      -8.8056      1.00000
     66      -8.8047      1.00000
     67      -8.7642      1.00000
     68      -8.7608      1.00000
     69      -8.7516      1.00000
     70      -8.7307      1.00000
     71      -8.7263      1.00000
     72      -8.7256      1.00000
     73      -8.7213      1.00000
     74      -8.6832      1.00000
     75      -8.6695      1.00000
     76      -7.3885      1.00000
     77      -7.2465      1.00000
     78      -7.2088      1.00000
     79      -7.1966      1.00000
     80      -7.0866      1.00000
     81      -7.0756      1.00000
     82      -7.0720      1.00000
     83      -7.0641      1.00000
     84      -6.9419      1.00000
     85      -6.9368      1.00000
     86      -6.9164      1.00000
     87      -6.9143      1.00000
     88      -6.3528      1.00000
     89      -6.2783      1.00000
     90      -6.0878      1.00000
     91      -6.0606      1.00000
     92      -6.0535      1.00000
     93      -6.0197      1.00000
     94      -5.7055      1.00000
     95      -5.5570      1.00000
     96      -5.0045      1.00000
     97      -4.5958      1.00000
     98      -4.2620      1.00000
     99      -4.2577      1.00000
    100      -4.0938      1.00000
    101      -4.0537      1.00000
    102      -3.9933      1.00000
    103      -3.8722      1.00000
    104      -3.5936      1.00000
    105      -3.4636      1.00000
    106      -3.4253      1.00000
    107      -1.8821      0.00000
    108      -1.3076      0.00000
    109      -1.3062      0.00000
    110      -1.2806      0.00000
    111      -1.2473      0.00000
    112      -1.2055      0.00000
    113      -1.0003      0.00000
    114       0.3484      0.00000
    115       0.4383      0.00000
    116       0.5405      0.00000
    117       0.5625      0.00000
    118       0.5978      0.00000
    119       0.6164      0.00000
    120       0.7587      0.00000
    121       1.2499      0.00000
    122       1.3165      0.00000
    123       1.3321      0.00000
    124       1.6319      0.00000
    125       1.9257      0.00000
    126       1.9379      0.00000
    127       1.9501      0.00000
    128       2.0190      0.00000
    129       2.1636      0.00000
    130       2.2581      0.00000
    131       2.2808      0.00000
    132       2.3094      0.00000
    133       2.3112      0.00000
    134       2.3166      0.00000
    135       2.3543      0.00000
    136       2.4017      0.00000
    137       2.5193      0.00000
    138       2.6494      0.00000
    139       2.6755      0.00000
    140       2.7115      0.00000
    141       2.7394      0.00000
    142       2.8268      0.00000
    143       2.8465      0.00000
    144       2.9479      0.00000
    145       2.9738      0.00000
    146       2.9787      0.00000
    147       3.0052      0.00000
    148       3.2526      0.00000
    149       3.4742      0.00000
    150       3.5661      0.00000
    151       3.7451      0.00000
    152       3.7462      0.00000
    153       3.8795      0.00000
    154       3.9195      0.00000
    155       3.9209      0.00000
    156       3.9750      0.00000
    157       4.1497      0.00000
    158       4.1869      0.00000
    159       4.3006      0.00000
    160       4.3198      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0422      1.00000
      2     -21.4825      1.00000
      3     -21.3014      1.00000
      4     -21.2681      1.00000
      5     -20.9322      1.00000
      6     -20.8941      1.00000
      7     -20.7191      1.00000
      8     -19.8287      1.00000
      9     -19.7884      1.00000
     10     -19.2814      1.00000
     11     -19.2527      1.00000
     12     -19.0791      1.00000
     13     -18.7578      1.00000
     14     -18.7257      1.00000
     15     -18.7097      1.00000
     16     -18.6993      1.00000
     17     -18.0372      1.00000
     18     -18.0103      1.00000
     19     -17.6791      1.00000
     20     -16.7387      1.00000
     21     -16.6821      1.00000
     22     -16.6392      1.00000
     23     -16.5970      1.00000
     24     -16.1650      1.00000
     25     -16.1309      1.00000
     26     -15.2987      1.00000
     27     -15.2413      1.00000
     28     -14.9313      1.00000
     29     -14.8730      1.00000
     30     -14.8561      1.00000
     31     -14.7830      1.00000
     32     -14.7550      1.00000
     33     -14.3809      1.00000
     34     -14.3415      1.00000
     35     -13.4105      1.00000
     36     -13.3742      1.00000
     37     -12.9212      1.00000
     38     -12.3251      1.00000
     39     -12.2714      1.00000
     40     -12.1397      1.00000
     41     -12.1136      1.00000
     42     -11.8056      1.00000
     43     -11.7498      1.00000
     44     -11.4313      1.00000
     45     -11.3377      1.00000
     46     -11.1939      1.00000
     47     -10.9579      1.00000
     48     -10.8617      1.00000
     49     -10.7054      1.00000
     50     -10.6627      1.00000
     51     -10.5969      1.00000
     52     -10.5338      1.00000
     53     -10.1901      1.00000
     54      -9.8614      1.00000
     55      -9.8342      1.00000
     56      -9.7921      1.00000
     57      -9.5744      1.00000
     58      -9.4096      1.00000
     59      -9.3702      1.00000
     60      -9.3109      1.00000
     61      -9.2725      1.00000
     62      -9.2260      1.00000
     63      -9.2060      1.00000
     64      -9.0068      1.00000
     65      -8.9641      1.00000
     66      -8.9206      1.00000
     67      -8.8772      1.00000
     68      -8.8255      1.00000
     69      -8.7989      1.00000
     70      -8.7672      1.00000
     71      -8.6069      1.00000
     72      -8.5298      1.00000
     73      -8.2915      1.00000
     74      -8.2356      1.00000
     75      -7.8142      1.00000
     76      -7.7190      1.00000
     77      -7.5618      1.00000
     78      -7.5277      1.00000
     79      -7.4656      1.00000
     80      -7.3950      1.00000
     81      -7.0857      1.00000
     82      -7.0755      1.00000
     83      -7.0371      1.00000
     84      -6.9865      1.00000
     85      -6.7840      1.00000
     86      -6.6676      1.00000
     87      -6.5597      1.00000
     88      -6.4703      1.00000
     89      -6.3604      1.00000
     90      -6.3014      1.00000
     91      -5.8743      1.00000
     92      -5.8727      1.00000
     93      -5.7736      1.00000
     94      -5.6367      1.00000
     95      -5.4587      1.00000
     96      -5.0697      1.00000
     97      -4.7213      1.00000
     98      -4.4335      1.00000
     99      -4.3761      1.00000
    100      -4.2252      1.00000
    101      -4.1681      1.00000
    102      -4.0116      1.00000
    103      -3.8282      1.00000
    104      -3.5306      1.00000
    105      -3.4736      1.00000
    106      -3.4031      1.00000
    107      -1.9044      0.00000
    108      -1.4386      0.00000
    109      -1.2725      0.00000
    110      -1.0550      0.00000
    111      -1.0057      0.00000
    112      -0.9718      0.00000
    113      -0.8643      0.00000
    114      -0.3417      0.00000
    115       0.0299      0.00000
    116       0.1557      0.00000
    117       0.7603      0.00000
    118       0.8656      0.00000
    119       1.0353      0.00000
    120       1.0878      0.00000
    121       1.2746      0.00000
    122       1.3696      0.00000
    123       1.4137      0.00000
    124       1.4834      0.00000
    125       1.5507      0.00000
    126       1.6670      0.00000
    127       1.7447      0.00000
    128       1.9634      0.00000
    129       1.9855      0.00000
    130       2.1298      0.00000
    131       2.2142      0.00000
    132       2.2605      0.00000
    133       2.3347      0.00000
    134       2.3744      0.00000
    135       2.4149      0.00000
    136       2.5084      0.00000
    137       2.6859      0.00000
    138       2.7061      0.00000
    139       2.7768      0.00000
    140       2.8304      0.00000
    141       2.8653      0.00000
    142       3.0398      0.00000
    143       3.1060      0.00000
    144       3.1198      0.00000
    145       3.1520      0.00000
    146       3.1779      0.00000
    147       3.2168      0.00000
    148       3.4144      0.00000
    149       3.4411      0.00000
    150       3.4766      0.00000
    151       3.5736      0.00000
    152       3.5901      0.00000
    153       3.7789      0.00000
    154       3.8389      0.00000
    155       3.9214      0.00000
    156       4.0140      0.00000
    157       4.1028      0.00000
    158       4.1415      0.00000
    159       4.1878      0.00000
    160       4.3037      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9338      1.00000
      2     -21.7348      1.00000
      3     -21.3780      1.00000
      4     -21.3427      1.00000
      5     -20.6388      1.00000
      6     -20.5977      1.00000
      7     -20.2753      1.00000
      8     -20.2334      1.00000
      9     -20.2265      1.00000
     10     -19.6931      1.00000
     11     -19.1771      1.00000
     12     -19.1457      1.00000
     13     -18.9791      1.00000
     14     -18.9603      1.00000
     15     -18.1140      1.00000
     16     -18.0695      1.00000
     17     -17.6036      1.00000
     18     -17.5727      1.00000
     19     -17.4249      1.00000
     20     -17.3828      1.00000
     21     -17.1207      1.00000
     22     -17.0884      1.00000
     23     -16.9940      1.00000
     24     -16.1525      1.00000
     25     -16.1331      1.00000
     26     -15.6498      1.00000
     27     -15.0973      1.00000
     28     -15.0533      1.00000
     29     -14.7788      1.00000
     30     -14.7405      1.00000
     31     -14.5207      1.00000
     32     -14.4810      1.00000
     33     -13.9805      1.00000
     34     -13.9372      1.00000
     35     -13.1380      1.00000
     36     -13.0850      1.00000
     37     -12.8625      1.00000
     38     -12.8242      1.00000
     39     -12.6619      1.00000
     40     -12.6438      1.00000
     41     -12.2983      1.00000
     42     -12.2580      1.00000
     43     -11.8929      1.00000
     44     -11.3646      1.00000
     45     -11.1994      1.00000
     46     -11.1361      1.00000
     47     -10.9678      1.00000
     48     -10.9132      1.00000
     49     -10.8269      1.00000
     50     -10.3888      1.00000
     51     -10.3104      1.00000
     52     -10.0959      1.00000
     53     -10.0099      1.00000
     54      -9.9712      1.00000
     55      -9.8434      1.00000
     56      -9.8174      1.00000
     57      -9.7538      1.00000
     58      -9.4761      1.00000
     59      -9.4571      1.00000
     60      -9.4053      1.00000
     61      -9.3791      1.00000
     62      -9.3599      1.00000
     63      -9.3247      1.00000
     64      -9.0574      1.00000
     65      -9.0202      1.00000
     66      -8.9767      1.00000
     67      -8.6919      1.00000
     68      -8.6540      1.00000
     69      -8.5209      1.00000
     70      -8.4773      1.00000
     71      -8.2578      1.00000
     72      -8.1824      1.00000
     73      -8.0726      1.00000
     74      -8.0569      1.00000
     75      -8.0106      1.00000
     76      -7.9482      1.00000
     77      -7.9178      1.00000
     78      -7.8889      1.00000
     79      -7.8778      1.00000
     80      -7.4616      1.00000
     81      -7.1127      1.00000
     82      -7.0598      1.00000
     83      -7.0388      1.00000
     84      -6.9407      1.00000
     85      -6.9133      1.00000
     86      -6.6824      1.00000
     87      -6.6540      1.00000
     88      -6.3006      1.00000
     89      -6.2597      1.00000
     90      -5.9415      1.00000
     91      -5.9042      1.00000
     92      -5.7165      1.00000
     93      -5.5319      1.00000
     94      -5.3799      1.00000
     95      -5.2255      1.00000
     96      -5.0778      1.00000
     97      -4.9727      1.00000
     98      -4.9178      1.00000
     99      -4.8693      1.00000
    100      -4.3389      1.00000
    101      -4.1576      1.00000
    102      -4.0570      1.00000
    103      -3.7837      1.00000
    104      -3.5596      1.00000
    105      -3.3693      1.00000
    106      -3.3578      1.00000
    107      -1.9362      0.00000
    108      -1.5114      0.00000
    109      -1.3160      0.00000
    110      -0.8666      0.00000
    111      -0.7486      0.00000
    112      -0.5981      0.00000
    113      -0.3836      0.00000
    114      -0.3423      0.00000
    115      -0.2979      0.00000
    116      -0.2474      0.00000
    117       0.4345      0.00000
    118       0.5246      0.00000
    119       0.8239      0.00000
    120       1.0770      0.00000
    121       1.1313      0.00000
    122       1.4285      0.00000
    123       1.5098      0.00000
    124       1.5650      0.00000
    125       1.6067      0.00000
    126       1.7092      0.00000
    127       1.8691      0.00000
    128       1.9049      0.00000
    129       1.9302      0.00000
    130       2.0425      0.00000
    131       2.0949      0.00000
    132       2.1765      0.00000
    133       2.3428      0.00000
    134       2.5196      0.00000
    135       2.5990      0.00000
    136       2.6354      0.00000
    137       2.6852      0.00000
    138       2.7466      0.00000
    139       2.8937      0.00000
    140       2.9691      0.00000
    141       3.0241      0.00000
    142       3.1861      0.00000
    143       3.2281      0.00000
    144       3.2530      0.00000
    145       3.3547      0.00000
    146       3.3971      0.00000
    147       3.4594      0.00000
    148       3.5377      0.00000
    149       3.6169      0.00000
    150       3.6236      0.00000
    151       3.6718      0.00000
    152       3.6737      0.00000
    153       3.8191      0.00000
    154       3.8968      0.00000
    155       3.9063      0.00000
    156       3.9295      0.00000
    157       3.9915      0.00000
    158       4.0207      0.00000
    159       4.0838      0.00000
    160       4.0929      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9690      1.00000
      2     -21.6105      1.00000
      3     -21.5613      1.00000
      4     -21.0385      1.00000
      5     -21.0142      1.00000
      6     -20.4898      1.00000
      7     -20.4421      1.00000
      8     -20.2814      1.00000
      9     -19.7396      1.00000
     10     -19.7359      1.00000
     11     -19.3774      1.00000
     12     -19.3555      1.00000
     13     -18.6603      1.00000
     14     -18.6543      1.00000
     15     -18.3128      1.00000
     16     -18.2996      1.00000
     17     -18.1173      1.00000
     18     -17.3425      1.00000
     19     -17.2800      1.00000
     20     -17.2678      1.00000
     21     -17.2414      1.00000
     22     -16.7929      1.00000
     23     -16.7758      1.00000
     24     -16.6749      1.00000
     25     -15.7152      1.00000
     26     -15.5446      1.00000
     27     -15.2715      1.00000
     28     -15.2622      1.00000
     29     -14.9015      1.00000
     30     -14.5574      1.00000
     31     -14.5267      1.00000
     32     -14.2469      1.00000
     33     -14.2049      1.00000
     34     -13.8158      1.00000
     35     -13.8056      1.00000
     36     -12.8726      1.00000
     37     -12.7748      1.00000
     38     -12.7176      1.00000
     39     -12.6880      1.00000
     40     -12.3975      1.00000
     41     -12.3871      1.00000
     42     -12.0116      1.00000
     43     -11.9841      1.00000
     44     -11.4204      1.00000
     45     -11.2719      1.00000
     46     -11.1985      1.00000
     47     -11.1018      1.00000
     48     -10.5887      1.00000
     49     -10.5703      1.00000
     50     -10.3313      1.00000
     51     -10.3135      1.00000
     52     -10.1907      1.00000
     53     -10.1772      1.00000
     54     -10.1686      1.00000
     55     -10.1042      1.00000
     56     -10.0413      1.00000
     57      -9.7109      1.00000
     58      -9.5823      1.00000
     59      -9.3092      1.00000
     60      -9.2539      1.00000
     61      -9.1489      1.00000
     62      -9.0897      1.00000
     63      -9.0833      1.00000
     64      -9.0688      1.00000
     65      -8.9992      1.00000
     66      -8.9711      1.00000
     67      -8.8228      1.00000
     68      -8.7820      1.00000
     69      -8.7161      1.00000
     70      -8.5239      1.00000
     71      -8.5175      1.00000
     72      -8.3889      1.00000
     73      -8.2734      1.00000
     74      -8.1167      1.00000
     75      -7.8556      1.00000
     76      -7.8110      1.00000
     77      -7.6184      1.00000
     78      -7.5755      1.00000
     79      -7.5566      1.00000
     80      -7.5080      1.00000
     81      -7.3941      1.00000
     82      -7.3886      1.00000
     83      -7.1282      1.00000
     84      -7.0714      1.00000
     85      -6.6096      1.00000
     86      -6.5624      1.00000
     87      -6.4964      1.00000
     88      -6.3493      1.00000
     89      -6.1824      1.00000
     90      -6.0949      1.00000
     91      -5.9885      1.00000
     92      -5.8394      1.00000
     93      -5.6999      1.00000
     94      -5.3138      1.00000
     95      -5.1641      1.00000
     96      -5.1277      1.00000
     97      -5.0266      1.00000
     98      -4.8706      1.00000
     99      -4.4868      1.00000
    100      -4.3907      1.00000
    101      -4.1554      1.00000
    102      -4.0492      1.00000
    103      -3.9398      1.00000
    104      -3.5527      1.00000
    105      -3.4896      1.00000
    106      -3.1083      1.00000
    107      -2.0814      0.00000
    108      -1.5733      0.00000
    109      -0.9023      0.00000
    110      -0.8916      0.00000
    111      -0.8175      0.00000
    112      -0.6710      0.00000
    113      -0.6647      0.00000
    114      -0.5404      0.00000
    115      -0.5301      0.00000
    116       0.5065      0.00000
    117       0.5351      0.00000
    118       0.5750      0.00000
    119       0.7936      0.00000
    120       1.0261      0.00000
    121       1.0873      0.00000
    122       1.2922      0.00000
    123       1.3064      0.00000
    124       1.4746      0.00000
    125       1.6324      0.00000
    126       1.7187      0.00000
    127       1.8178      0.00000
    128       2.0059      0.00000
    129       2.0462      0.00000
    130       2.0831      0.00000
    131       2.1596      0.00000
    132       2.3005      0.00000
    133       2.3071      0.00000
    134       2.4371      0.00000
    135       2.5451      0.00000
    136       2.7517      0.00000
    137       2.7982      0.00000
    138       2.8425      0.00000
    139       2.8930      0.00000
    140       2.9223      0.00000
    141       3.0271      0.00000
    142       3.0439      0.00000
    143       3.1113      0.00000
    144       3.1506      0.00000
    145       3.2228      0.00000
    146       3.3158      0.00000
    147       3.3660      0.00000
    148       3.4779      0.00000
    149       3.5734      0.00000
    150       3.5959      0.00000
    151       3.6460      0.00000
    152       3.7073      0.00000
    153       3.8117      0.00000
    154       3.8610      0.00000
    155       3.9429      0.00000
    156       3.9429      0.00000
    157       3.9753      0.00000
    158       4.0794      0.00000
    159       4.1628      0.00000
    160       4.1654      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8532      1.00000
      2     -21.7805      1.00000
      3     -21.6183      1.00000
      4     -21.0640      1.00000
      5     -20.7113      1.00000
      6     -20.6699      1.00000
      7     -20.1635      1.00000
      8     -20.1174      1.00000
      9     -19.9615      1.00000
     10     -19.9316      1.00000
     11     -19.6164      1.00000
     12     -19.5590      1.00000
     13     -18.5467      1.00000
     14     -18.4836      1.00000
     15     -18.0237      1.00000
     16     -17.9587      1.00000
     17     -17.8274      1.00000
     18     -17.7963      1.00000
     19     -17.4960      1.00000
     20     -17.4443      1.00000
     21     -16.9439      1.00000
     22     -16.9076      1.00000
     23     -16.8169      1.00000
     24     -16.8037      1.00000
     25     -15.7955      1.00000
     26     -15.5615      1.00000
     27     -15.5355      1.00000
     28     -15.4934      1.00000
     29     -14.8883      1.00000
     30     -14.2392      1.00000
     31     -14.1832      1.00000
     32     -13.9331      1.00000
     33     -13.6586      1.00000
     34     -13.6308      1.00000
     35     -13.5277      1.00000
     36     -13.4783      1.00000
     37     -13.2874      1.00000
     38     -13.2199      1.00000
     39     -13.0355      1.00000
     40     -12.3141      1.00000
     41     -11.8887      1.00000
     42     -11.7895      1.00000
     43     -11.7426      1.00000
     44     -11.6714      1.00000
     45     -11.4032      1.00000
     46     -11.3430      1.00000
     47     -11.1861      1.00000
     48     -10.8304      1.00000
     49     -10.7643      1.00000
     50     -10.4475      1.00000
     51     -10.3876      1.00000
     52     -10.0294      1.00000
     53      -9.9099      1.00000
     54      -9.8611      1.00000
     55      -9.8367      1.00000
     56      -9.7108      1.00000
     57      -9.6824      1.00000
     58      -9.6528      1.00000
     59      -9.5021      1.00000
     60      -9.4886      1.00000
     61      -9.4641      1.00000
     62      -9.4050      1.00000
     63      -9.1195      1.00000
     64      -9.0382      1.00000
     65      -8.7762      1.00000
     66      -8.7534      1.00000
     67      -8.6928      1.00000
     68      -8.5881      1.00000
     69      -8.5372      1.00000
     70      -8.4171      1.00000
     71      -8.3515      1.00000
     72      -8.2367      1.00000
     73      -8.2026      1.00000
     74      -8.1678      1.00000
     75      -8.1033      1.00000
     76      -8.0301      1.00000
     77      -7.9075      1.00000
     78      -7.7605      1.00000
     79      -7.7004      1.00000
     80      -7.6224      1.00000
     81      -7.4486      1.00000
     82      -7.2876      1.00000
     83      -7.1815      1.00000
     84      -6.7369      1.00000
     85      -6.6491      1.00000
     86      -6.5973      1.00000
     87      -6.4542      1.00000
     88      -6.2398      1.00000
     89      -6.1099      1.00000
     90      -6.1029      1.00000
     91      -5.9031      1.00000
     92      -5.6679      1.00000
     93      -5.5194      1.00000
     94      -5.4460      1.00000
     95      -5.2876      1.00000
     96      -5.1070      1.00000
     97      -4.9523      1.00000
     98      -4.8918      1.00000
     99      -4.8710      1.00000
    100      -4.5104      1.00000
    101      -4.1568      1.00000
    102      -4.0492      1.00000
    103      -3.9328      1.00000
    104      -3.5693      1.00000
    105      -3.5156      1.00000
    106      -2.8738      1.00000
    107      -2.2373      0.00000
    108      -1.6683      0.00000
    109      -0.9483      0.00000
    110      -0.9003      0.00000
    111      -0.8331      0.00000
    112      -0.7224      0.00000
    113      -0.2326      0.00000
    114      -0.1642      0.00000
    115      -0.0581      0.00000
    116       0.0512      0.00000
    117       0.2215      0.00000
    118       0.3038      0.00000
    119       0.7743      0.00000
    120       0.8659      0.00000
    121       0.9606      0.00000
    122       1.0539      0.00000
    123       1.2834      0.00000
    124       1.5235      0.00000
    125       1.5890      0.00000
    126       1.6758      0.00000
    127       1.9491      0.00000
    128       2.0040      0.00000
    129       2.0570      0.00000
    130       2.0910      0.00000
    131       2.2819      0.00000
    132       2.3655      0.00000
    133       2.4863      0.00000
    134       2.5940      0.00000
    135       2.6696      0.00000
    136       2.7628      0.00000
    137       2.9217      0.00000
    138       2.9841      0.00000
    139       3.0207      0.00000
    140       3.0359      0.00000
    141       3.1327      0.00000
    142       3.1513      0.00000
    143       3.1666      0.00000
    144       3.2176      0.00000
    145       3.3225      0.00000
    146       3.3829      0.00000
    147       3.4438      0.00000
    148       3.4576      0.00000
    149       3.4896      0.00000
    150       3.5249      0.00000
    151       3.5513      0.00000
    152       3.6033      0.00000
    153       3.6251      0.00000
    154       3.6777      0.00000
    155       3.7683      0.00000
    156       3.8960      0.00000
    157       3.9420      0.00000
    158       4.0414      0.00000
    159       4.1766      0.00000
    160       4.1975      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9688      1.00000
      2     -21.6167      1.00000
      3     -21.5553      1.00000
      4     -21.0451      1.00000
      5     -21.0039      1.00000
      6     -20.4978      1.00000
      7     -20.4388      1.00000
      8     -20.2847      1.00000
      9     -19.7549      1.00000
     10     -19.7142      1.00000
     11     -19.3858      1.00000
     12     -19.3496      1.00000
     13     -18.6785      1.00000
     14     -18.6345      1.00000
     15     -18.3184      1.00000
     16     -18.2711      1.00000
     17     -18.1286      1.00000
     18     -17.3427      1.00000
     19     -17.3196      1.00000
     20     -17.2750      1.00000
     21     -17.2512      1.00000
     22     -16.8135      1.00000
     23     -16.7549      1.00000
     24     -16.6185      1.00000
     25     -15.6632      1.00000
     26     -15.6099      1.00000
     27     -15.2724      1.00000
     28     -15.2173      1.00000
     29     -14.9777      1.00000
     30     -14.5488      1.00000
     31     -14.4751      1.00000
     32     -14.2669      1.00000
     33     -14.1936      1.00000
     34     -13.8501      1.00000
     35     -13.8369      1.00000
     36     -12.8399      1.00000
     37     -12.7497      1.00000
     38     -12.7164      1.00000
     39     -12.6669      1.00000
     40     -12.4106      1.00000
     41     -12.3519      1.00000
     42     -12.0143      1.00000
     43     -11.9740      1.00000
     44     -11.3827      1.00000
     45     -11.3167      1.00000
     46     -11.2630      1.00000
     47     -11.1824      1.00000
     48     -10.6242      1.00000
     49     -10.5900      1.00000
     50     -10.3348      1.00000
     51     -10.2455      1.00000
     52     -10.2164      1.00000
     53     -10.1679      1.00000
     54     -10.0971      1.00000
     55     -10.0626      1.00000
     56     -10.0115      1.00000
     57      -9.7122      1.00000
     58      -9.5771      1.00000
     59      -9.2787      1.00000
     60      -9.2099      1.00000
     61      -9.1208      1.00000
     62      -9.1149      1.00000
     63      -9.0620      1.00000
     64      -9.0449      1.00000
     65      -8.9844      1.00000
     66      -8.9560      1.00000
     67      -8.8718      1.00000
     68      -8.8276      1.00000
     69      -8.8031      1.00000
     70      -8.5663      1.00000
     71      -8.5203      1.00000
     72      -8.4134      1.00000
     73      -8.2736      1.00000
     74      -8.1594      1.00000
     75      -7.9038      1.00000
     76      -7.8475      1.00000
     77      -7.6175      1.00000
     78      -7.5400      1.00000
     79      -7.4910      1.00000
     80      -7.4374      1.00000
     81      -7.4111      1.00000
     82      -7.3266      1.00000
     83      -7.1699      1.00000
     84      -7.0467      1.00000
     85      -6.6510      1.00000
     86      -6.5868      1.00000
     87      -6.4781      1.00000
     88      -6.2926      1.00000
     89      -6.0827      1.00000
     90      -6.0365      1.00000
     91      -5.9799      1.00000
     92      -5.8816      1.00000
     93      -5.8050      1.00000
     94      -5.5000      1.00000
     95      -5.2577      1.00000
     96      -5.0868      1.00000
     97      -4.9165      1.00000
     98      -4.7488      1.00000
     99      -4.5353      1.00000
    100      -4.4122      1.00000
    101      -4.1676      1.00000
    102      -3.9984      1.00000
    103      -3.8730      1.00000
    104      -3.5893      1.00000
    105      -3.5207      1.00000
    106      -3.1425      1.00000
    107      -1.9581      0.00000
    108      -1.6943      0.00000
    109      -1.0248      0.00000
    110      -0.9440      0.00000
    111      -0.8323      0.00000
    112      -0.6640      0.00000
    113      -0.5198      0.00000
    114      -0.5012      0.00000
    115      -0.4127      0.00000
    116       0.3571      0.00000
    117       0.5062      0.00000
    118       0.5957      0.00000
    119       0.8117      0.00000
    120       1.0805      0.00000
    121       1.1015      0.00000
    122       1.2304      0.00000
    123       1.3493      0.00000
    124       1.4721      0.00000
    125       1.6007      0.00000
    126       1.7385      0.00000
    127       1.8099      0.00000
    128       1.9844      0.00000
    129       2.0727      0.00000
    130       2.0979      0.00000
    131       2.1616      0.00000
    132       2.3234      0.00000
    133       2.3321      0.00000
    134       2.4362      0.00000
    135       2.5087      0.00000
    136       2.7368      0.00000
    137       2.8011      0.00000
    138       2.8395      0.00000
    139       2.8669      0.00000
    140       2.9048      0.00000
    141       3.0199      0.00000
    142       3.0323      0.00000
    143       3.1032      0.00000
    144       3.1578      0.00000
    145       3.2492      0.00000
    146       3.3031      0.00000
    147       3.3755      0.00000
    148       3.4691      0.00000
    149       3.5721      0.00000
    150       3.5959      0.00000
    151       3.6712      0.00000
    152       3.6818      0.00000
    153       3.7966      0.00000
    154       3.8844      0.00000
    155       3.9079      0.00000
    156       3.9616      0.00000
    157       4.0026      0.00000
    158       4.0865      0.00000
    159       4.1292      0.00000
    160       4.1714      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0422      1.00000
      2     -21.4854      1.00000
      3     -21.2962      1.00000
      4     -21.2684      1.00000
      5     -20.9316      1.00000
      6     -20.8960      1.00000
      7     -20.7201      1.00000
      8     -19.8294      1.00000
      9     -19.7920      1.00000
     10     -19.2754      1.00000
     11     -19.2485      1.00000
     12     -19.0823      1.00000
     13     -18.7652      1.00000
     14     -18.7215      1.00000
     15     -18.7067      1.00000
     16     -18.6993      1.00000
     17     -18.0290      1.00000
     18     -18.0084      1.00000
     19     -17.6954      1.00000
     20     -16.7547      1.00000
     21     -16.7138      1.00000
     22     -16.6165      1.00000
     23     -16.5942      1.00000
     24     -16.1354      1.00000
     25     -16.1007      1.00000
     26     -15.2990      1.00000
     27     -15.2816      1.00000
     28     -14.9483      1.00000
     29     -14.9419      1.00000
     30     -14.8452      1.00000
     31     -14.7370      1.00000
     32     -14.6931      1.00000
     33     -14.3843      1.00000
     34     -14.3652      1.00000
     35     -13.4246      1.00000
     36     -13.3983      1.00000
     37     -12.8907      1.00000
     38     -12.3171      1.00000
     39     -12.2164      1.00000
     40     -12.1069      1.00000
     41     -12.0953      1.00000
     42     -11.8295      1.00000
     43     -11.8122      1.00000
     44     -11.4151      1.00000
     45     -11.3815      1.00000
     46     -11.2604      1.00000
     47     -10.8779      1.00000
     48     -10.8757      1.00000
     49     -10.6676      1.00000
     50     -10.6648      1.00000
     51     -10.6327      1.00000
     52     -10.5913      1.00000
     53     -10.1982      1.00000
     54      -9.8372      1.00000
     55      -9.7683      1.00000
     56      -9.7191      1.00000
     57      -9.5651      1.00000
     58      -9.3923      1.00000
     59      -9.3808      1.00000
     60      -9.3245      1.00000
     61      -9.3072      1.00000
     62      -9.2411      1.00000
     63      -9.2029      1.00000
     64      -8.9877      1.00000
     65      -8.9604      1.00000
     66      -8.9410      1.00000
     67      -8.9046      1.00000
     68      -8.7997      1.00000
     69      -8.7729      1.00000
     70      -8.7621      1.00000
     71      -8.6195      1.00000
     72      -8.5722      1.00000
     73      -8.3234      1.00000
     74      -8.3050      1.00000
     75      -7.7813      1.00000
     76      -7.7116      1.00000
     77      -7.6068      1.00000
     78      -7.5154      1.00000
     79      -7.4472      1.00000
     80      -7.4122      1.00000
     81      -7.1152      1.00000
     82      -6.9414      1.00000
     83      -6.9294      1.00000
     84      -6.9272      1.00000
     85      -6.9023      1.00000
     86      -6.7382      1.00000
     87      -6.5645      1.00000
     88      -6.4322      1.00000
     89      -6.3767      1.00000
     90      -6.3213      1.00000
     91      -5.8443      1.00000
     92      -5.8232      1.00000
     93      -5.7301      1.00000
     94      -5.6760      1.00000
     95      -5.6097      1.00000
     96      -5.0614      1.00000
     97      -4.6127      1.00000
     98      -4.5160      1.00000
     99      -4.3951      1.00000
    100      -4.2380      1.00000
    101      -4.1721      1.00000
    102      -3.8310      1.00000
    103      -3.7737      1.00000
    104      -3.7358      1.00000
    105      -3.4432      1.00000
    106      -3.4117      1.00000
    107      -1.8070      0.00000
    108      -1.4835      0.00000
    109      -1.4265      0.00000
    110      -1.0563      0.00000
    111      -1.0255      0.00000
    112      -0.9192      0.00000
    113      -0.8053      0.00000
    114      -0.2090      0.00000
    115       0.0221      0.00000
    116       0.0510      0.00000
    117       0.7372      0.00000
    118       0.8961      0.00000
    119       0.9163      0.00000
    120       1.2070      0.00000
    121       1.2594      0.00000
    122       1.3574      0.00000
    123       1.4525      0.00000
    124       1.4849      0.00000
    125       1.5744      0.00000
    126       1.6715      0.00000
    127       1.7501      0.00000
    128       1.9523      0.00000
    129       1.9779      0.00000
    130       2.1391      0.00000
    131       2.1622      0.00000
    132       2.2186      0.00000
    133       2.3359      0.00000
    134       2.3859      0.00000
    135       2.4244      0.00000
    136       2.5100      0.00000
    137       2.6904      0.00000
    138       2.7128      0.00000
    139       2.7782      0.00000
    140       2.8057      0.00000
    141       2.8474      0.00000
    142       3.0465      0.00000
    143       3.1366      0.00000
    144       3.1506      0.00000
    145       3.1548      0.00000
    146       3.1971      0.00000
    147       3.2107      0.00000
    148       3.4077      0.00000
    149       3.4133      0.00000
    150       3.4626      0.00000
    151       3.5924      0.00000
    152       3.5930      0.00000
    153       3.7636      0.00000
    154       3.8244      0.00000
    155       3.9181      0.00000
    156       3.9881      0.00000
    157       4.1296      0.00000
    158       4.1503      0.00000
    159       4.1951      0.00000
    160       4.4340      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8497      1.00000
      2     -21.7868      1.00000
      3     -21.6154      1.00000
      4     -21.0622      1.00000
      5     -20.7033      1.00000
      6     -20.6798      1.00000
      7     -20.1542      1.00000
      8     -20.1274      1.00000
      9     -19.9511      1.00000
     10     -19.9508      1.00000
     11     -19.6050      1.00000
     12     -19.5602      1.00000
     13     -18.5372      1.00000
     14     -18.4810      1.00000
     15     -18.0055      1.00000
     16     -17.9908      1.00000
     17     -17.8140      1.00000
     18     -17.8073      1.00000
     19     -17.4863      1.00000
     20     -17.4707      1.00000
     21     -16.9206      1.00000
     22     -16.8933      1.00000
     23     -16.8703      1.00000
     24     -16.7878      1.00000
     25     -15.7344      1.00000
     26     -15.5554      1.00000
     27     -15.5535      1.00000
     28     -15.4790      1.00000
     29     -14.9476      1.00000
     30     -14.2284      1.00000
     31     -14.2066      1.00000
     32     -13.9959      1.00000
     33     -13.6426      1.00000
     34     -13.5985      1.00000
     35     -13.4663      1.00000
     36     -13.4475      1.00000
     37     -13.2984      1.00000
     38     -13.2696      1.00000
     39     -13.0156      1.00000
     40     -12.2749      1.00000
     41     -11.8679      1.00000
     42     -11.8509      1.00000
     43     -11.7517      1.00000
     44     -11.7173      1.00000
     45     -11.3981      1.00000
     46     -11.3139      1.00000
     47     -11.1636      1.00000
     48     -10.8066      1.00000
     49     -10.7991      1.00000
     50     -10.4833      1.00000
     51     -10.4299      1.00000
     52     -10.0407      1.00000
     53      -9.8745      1.00000
     54      -9.8665      1.00000
     55      -9.8504      1.00000
     56      -9.6884      1.00000
     57      -9.6378      1.00000
     58      -9.6376      1.00000
     59      -9.4793      1.00000
     60      -9.4571      1.00000
     61      -9.4210      1.00000
     62      -9.4188      1.00000
     63      -9.1511      1.00000
     64      -9.0272      1.00000
     65      -8.7448      1.00000
     66      -8.7394      1.00000
     67      -8.6938      1.00000
     68      -8.6295      1.00000
     69      -8.5537      1.00000
     70      -8.3817      1.00000
     71      -8.3705      1.00000
     72      -8.2738      1.00000
     73      -8.2552      1.00000
     74      -8.1613      1.00000
     75      -8.1596      1.00000
     76      -8.0091      1.00000
     77      -7.9785      1.00000
     78      -7.7790      1.00000
     79      -7.7375      1.00000
     80      -7.5587      1.00000
     81      -7.3520      1.00000
     82      -7.3144      1.00000
     83      -7.2369      1.00000
     84      -6.6754      1.00000
     85      -6.5818      1.00000
     86      -6.4860      1.00000
     87      -6.3051      1.00000
     88      -6.2798      1.00000
     89      -6.1805      1.00000
     90      -6.1721      1.00000
     91      -6.0516      1.00000
     92      -5.6803      1.00000
     93      -5.4967      1.00000
     94      -5.4537      1.00000
     95      -5.3218      1.00000
     96      -5.0899      1.00000
     97      -4.9685      1.00000
     98      -4.9080      1.00000
     99      -4.8543      1.00000
    100      -4.4345      1.00000
    101      -4.1414      1.00000
    102      -4.0302      1.00000
    103      -3.9473      1.00000
    104      -3.5778      1.00000
    105      -3.5328      1.00000
    106      -2.9141      1.00000
    107      -2.1598      0.00000
    108      -1.7225      0.00000
    109      -0.9151      0.00000
    110      -0.8960      0.00000
    111      -0.8931      0.00000
    112      -0.7655      0.00000
    113      -0.1559      0.00000
    114      -0.1433      0.00000
    115      -0.0489      0.00000
    116      -0.0291      0.00000
    117       0.3355      0.00000
    118       0.3444      0.00000
    119       0.7257      0.00000
    120       0.8243      0.00000
    121       0.9734      0.00000
    122       1.0253      0.00000
    123       1.2465      0.00000
    124       1.5618      0.00000
    125       1.5827      0.00000
    126       1.6628      0.00000
    127       1.9690      0.00000
    128       1.9808      0.00000
    129       2.0499      0.00000
    130       2.1132      0.00000
    131       2.2832      0.00000
    132       2.3637      0.00000
    133       2.5191      0.00000
    134       2.5327      0.00000
    135       2.6492      0.00000
    136       2.8233      0.00000
    137       2.8963      0.00000
    138       2.9466      0.00000
    139       3.0267      0.00000
    140       3.0391      0.00000
    141       3.1282      0.00000
    142       3.1736      0.00000
    143       3.2037      0.00000
    144       3.2197      0.00000
    145       3.3255      0.00000
    146       3.3520      0.00000
    147       3.4355      0.00000
    148       3.4737      0.00000
    149       3.5039      0.00000
    150       3.5240      0.00000
    151       3.5388      0.00000
    152       3.5716      0.00000
    153       3.6172      0.00000
    154       3.6772      0.00000
    155       3.7968      0.00000
    156       3.9052      0.00000
    157       3.9427      0.00000
    158       4.0445      0.00000
    159       4.1599      0.00000
    160       4.2117      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9329      1.00000
      2     -21.7379      1.00000
      3     -21.3733      1.00000
      4     -21.3430      1.00000
      5     -20.6374      1.00000
      6     -20.5997      1.00000
      7     -20.2686      1.00000
      8     -20.2410      1.00000
      9     -20.2310      1.00000
     10     -19.6987      1.00000
     11     -19.1677      1.00000
     12     -19.1405      1.00000
     13     -18.9731      1.00000
     14     -18.9589      1.00000
     15     -18.1147      1.00000
     16     -18.0798      1.00000
     17     -17.5938      1.00000
     18     -17.5697      1.00000
     19     -17.4346      1.00000
     20     -17.3987      1.00000
     21     -17.1056      1.00000
     22     -17.0840      1.00000
     23     -17.0383      1.00000
     24     -16.1355      1.00000
     25     -16.0985      1.00000
     26     -15.5930      1.00000
     27     -15.0953      1.00000
     28     -15.0765      1.00000
     29     -14.7823      1.00000
     30     -14.7596      1.00000
     31     -14.5645      1.00000
     32     -14.5592      1.00000
     33     -13.9556      1.00000
     34     -13.8896      1.00000
     35     -13.1148      1.00000
     36     -13.0372      1.00000
     37     -12.8789      1.00000
     38     -12.8544      1.00000
     39     -12.6320      1.00000
     40     -12.6086      1.00000
     41     -12.3231      1.00000
     42     -12.3009      1.00000
     43     -11.8578      1.00000
     44     -11.2769      1.00000
     45     -11.2765      1.00000
     46     -11.1989      1.00000
     47     -11.0134      1.00000
     48     -10.9703      1.00000
     49     -10.7797      1.00000
     50     -10.3622      1.00000
     51     -10.3274      1.00000
     52     -10.0925      1.00000
     53      -9.9782      1.00000
     54      -9.9756      1.00000
     55      -9.8549      1.00000
     56      -9.7998      1.00000
     57      -9.7621      1.00000
     58      -9.4688      1.00000
     59      -9.3978      1.00000
     60      -9.3833      1.00000
     61      -9.3574      1.00000
     62      -9.3444      1.00000
     63      -9.3138      1.00000
     64      -9.0141      1.00000
     65      -9.0132      1.00000
     66      -8.9954      1.00000
     67      -8.6662      1.00000
     68      -8.6473      1.00000
     69      -8.5824      1.00000
     70      -8.4601      1.00000
     71      -8.2950      1.00000
     72      -8.2046      1.00000
     73      -8.1100      1.00000
     74      -8.0834      1.00000
     75      -8.0005      1.00000
     76      -7.9896      1.00000
     77      -7.9677      1.00000
     78      -7.9608      1.00000
     79      -7.9298      1.00000
     80      -7.5046      1.00000
     81      -7.1663      1.00000
     82      -6.9488      1.00000
     83      -6.8778      1.00000
     84      -6.8257      1.00000
     85      -6.8075      1.00000
     86      -6.6566      1.00000
     87      -6.6187      1.00000
     88      -6.3609      1.00000
     89      -6.2091      1.00000
     90      -6.1305      1.00000
     91      -6.0309      1.00000
     92      -5.6547      1.00000
     93      -5.5170      1.00000
     94      -5.3958      1.00000
     95      -5.3035      1.00000
     96      -5.0482      1.00000
     97      -4.9978      1.00000
     98      -4.9097      1.00000
     99      -4.8693      1.00000
    100      -4.2409      1.00000
    101      -4.1560      1.00000
    102      -3.9727      1.00000
    103      -3.7823      1.00000
    104      -3.5858      1.00000
    105      -3.4856      1.00000
    106      -3.3416      1.00000
    107      -1.7429      0.00000
    108      -1.5772      0.00000
    109      -1.5315      0.00000
    110      -0.7404      0.00000
    111      -0.7279      0.00000
    112      -0.6914      0.00000
    113      -0.3702      0.00000
    114      -0.3654      0.00000
    115      -0.2502      0.00000
    116      -0.2370      0.00000
    117       0.4990      0.00000
    118       0.5703      0.00000
    119       0.8177      0.00000
    120       1.0677      0.00000
    121       1.1289      0.00000
    122       1.3184      0.00000
    123       1.5184      0.00000
    124       1.5325      0.00000
    125       1.6210      0.00000
    126       1.7217      0.00000
    127       1.8368      0.00000
    128       1.8751      0.00000
    129       1.9096      0.00000
    130       2.0280      0.00000
    131       2.1232      0.00000
    132       2.2619      0.00000
    133       2.3524      0.00000
    134       2.4932      0.00000
    135       2.6069      0.00000
    136       2.6671      0.00000
    137       2.6777      0.00000
    138       2.7460      0.00000
    139       2.8799      0.00000
    140       2.9338      0.00000
    141       3.0207      0.00000
    142       3.1842      0.00000
    143       3.2224      0.00000
    144       3.2509      0.00000
    145       3.3715      0.00000
    146       3.3929      0.00000
    147       3.4516      0.00000
    148       3.5697      0.00000
    149       3.6173      0.00000
    150       3.6395      0.00000
    151       3.6548      0.00000
    152       3.6739      0.00000
    153       3.8308      0.00000
    154       3.8740      0.00000
    155       3.9101      0.00000
    156       3.9158      0.00000
    157       3.9985      0.00000
    158       4.0302      0.00000
    159       4.0683      0.00000
    160       4.0873      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0792      1.00000
      2     -21.2457      1.00000
      3     -21.1356      1.00000
      4     -21.1230      1.00000
      5     -21.1153      1.00000
      6     -21.1003      1.00000
      7     -21.0982      1.00000
      8     -19.3808      1.00000
      9     -19.3042      1.00000
     10     -19.2956      1.00000
     11     -19.2847      1.00000
     12     -19.2733      1.00000
     13     -19.2642      1.00000
     14     -18.4704      1.00000
     15     -18.4212      1.00000
     16     -18.4031      1.00000
     17     -18.3784      1.00000
     18     -18.3763      1.00000
     19     -18.3717      1.00000
     20     -16.3146      1.00000
     21     -16.3030      1.00000
     22     -16.2882      1.00000
     23     -16.2223      1.00000
     24     -16.2183      1.00000
     25     -16.2087      1.00000
     26     -15.2963      1.00000
     27     -15.2730      1.00000
     28     -15.2721      1.00000
     29     -15.2683      1.00000
     30     -15.2201      1.00000
     31     -15.1599      1.00000
     32     -13.9637      1.00000
     33     -13.9291      1.00000
     34     -13.9133      1.00000
     35     -13.9015      1.00000
     36     -13.8779      1.00000
     37     -13.8674      1.00000
     38     -11.7288      1.00000
     39     -11.6004      1.00000
     40     -11.5840      1.00000
     41     -11.5164      1.00000
     42     -11.5071      1.00000
     43     -11.4999      1.00000
     44     -11.4426      1.00000
     45     -11.4193      1.00000
     46     -11.4110      1.00000
     47     -11.3995      1.00000
     48     -11.3820      1.00000
     49     -11.3780      1.00000
     50     -11.1274      1.00000
     51     -10.2518      1.00000
     52     -10.0937      1.00000
     53     -10.0743      1.00000
     54     -10.0606      1.00000
     55     -10.0562      1.00000
     56      -9.9851      1.00000
     57      -9.9725      1.00000
     58      -9.4065      1.00000
     59      -9.1428      1.00000
     60      -9.0957      1.00000
     61      -9.0518      1.00000
     62      -9.0417      1.00000
     63      -9.0347      1.00000
     64      -8.8360      1.00000
     65      -8.8056      1.00000
     66      -8.8047      1.00000
     67      -8.7642      1.00000
     68      -8.7608      1.00000
     69      -8.7516      1.00000
     70      -8.7307      1.00000
     71      -8.7263      1.00000
     72      -8.7256      1.00000
     73      -8.7213      1.00000
     74      -8.6832      1.00000
     75      -8.6695      1.00000
     76      -7.3885      1.00000
     77      -7.2465      1.00000
     78      -7.2088      1.00000
     79      -7.1966      1.00000
     80      -7.0866      1.00000
     81      -7.0756      1.00000
     82      -7.0720      1.00000
     83      -7.0641      1.00000
     84      -6.9419      1.00000
     85      -6.9368      1.00000
     86      -6.9164      1.00000
     87      -6.9143      1.00000
     88      -6.3528      1.00000
     89      -6.2783      1.00000
     90      -6.0878      1.00000
     91      -6.0606      1.00000
     92      -6.0535      1.00000
     93      -6.0197      1.00000
     94      -5.7055      1.00000
     95      -5.5570      1.00000
     96      -5.0045      1.00000
     97      -4.5958      1.00000
     98      -4.2620      1.00000
     99      -4.2577      1.00000
    100      -4.0938      1.00000
    101      -4.0537      1.00000
    102      -3.9933      1.00000
    103      -3.8722      1.00000
    104      -3.5936      1.00000
    105      -3.4636      1.00000
    106      -3.4253      1.00000
    107      -1.8821      0.00000
    108      -1.3076      0.00000
    109      -1.3062      0.00000
    110      -1.2806      0.00000
    111      -1.2473      0.00000
    112      -1.2055      0.00000
    113      -1.0003      0.00000
    114       0.3484      0.00000
    115       0.4383      0.00000
    116       0.5405      0.00000
    117       0.5625      0.00000
    118       0.5978      0.00000
    119       0.6164      0.00000
    120       0.7587      0.00000
    121       1.2499      0.00000
    122       1.3165      0.00000
    123       1.3321      0.00000
    124       1.6319      0.00000
    125       1.9257      0.00000
    126       1.9379      0.00000
    127       1.9501      0.00000
    128       2.0190      0.00000
    129       2.1636      0.00000
    130       2.2581      0.00000
    131       2.2808      0.00000
    132       2.3094      0.00000
    133       2.3112      0.00000
    134       2.3166      0.00000
    135       2.3543      0.00000
    136       2.4017      0.00000
    137       2.5193      0.00000
    138       2.6494      0.00000
    139       2.6755      0.00000
    140       2.7115      0.00000
    141       2.7394      0.00000
    142       2.8268      0.00000
    143       2.8465      0.00000
    144       2.9479      0.00000
    145       2.9738      0.00000
    146       2.9787      0.00000
    147       3.0053      0.00000
    148       3.2526      0.00000
    149       3.4743      0.00000
    150       3.5661      0.00000
    151       3.7451      0.00000
    152       3.7462      0.00000
    153       3.8796      0.00000
    154       3.9195      0.00000
    155       3.9210      0.00000
    156       3.9750      0.00000
    157       4.1497      0.00000
    158       4.1869      0.00000
    159       4.3006      0.00000
    160       4.3198      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0422      1.00000
      2     -21.4825      1.00000
      3     -21.3014      1.00000
      4     -21.2681      1.00000
      5     -20.9322      1.00000
      6     -20.8941      1.00000
      7     -20.7191      1.00000
      8     -19.8287      1.00000
      9     -19.7884      1.00000
     10     -19.2814      1.00000
     11     -19.2527      1.00000
     12     -19.0791      1.00000
     13     -18.7578      1.00000
     14     -18.7257      1.00000
     15     -18.7097      1.00000
     16     -18.6993      1.00000
     17     -18.0372      1.00000
     18     -18.0103      1.00000
     19     -17.6791      1.00000
     20     -16.7387      1.00000
     21     -16.6821      1.00000
     22     -16.6392      1.00000
     23     -16.5970      1.00000
     24     -16.1650      1.00000
     25     -16.1309      1.00000
     26     -15.2987      1.00000
     27     -15.2413      1.00000
     28     -14.9313      1.00000
     29     -14.8730      1.00000
     30     -14.8561      1.00000
     31     -14.7830      1.00000
     32     -14.7550      1.00000
     33     -14.3809      1.00000
     34     -14.3415      1.00000
     35     -13.4105      1.00000
     36     -13.3742      1.00000
     37     -12.9212      1.00000
     38     -12.3251      1.00000
     39     -12.2714      1.00000
     40     -12.1397      1.00000
     41     -12.1136      1.00000
     42     -11.8056      1.00000
     43     -11.7498      1.00000
     44     -11.4313      1.00000
     45     -11.3377      1.00000
     46     -11.1939      1.00000
     47     -10.9579      1.00000
     48     -10.8617      1.00000
     49     -10.7054      1.00000
     50     -10.6627      1.00000
     51     -10.5969      1.00000
     52     -10.5338      1.00000
     53     -10.1901      1.00000
     54      -9.8614      1.00000
     55      -9.8342      1.00000
     56      -9.7921      1.00000
     57      -9.5744      1.00000
     58      -9.4096      1.00000
     59      -9.3702      1.00000
     60      -9.3109      1.00000
     61      -9.2725      1.00000
     62      -9.2260      1.00000
     63      -9.2060      1.00000
     64      -9.0068      1.00000
     65      -8.9641      1.00000
     66      -8.9206      1.00000
     67      -8.8772      1.00000
     68      -8.8255      1.00000
     69      -8.7989      1.00000
     70      -8.7672      1.00000
     71      -8.6069      1.00000
     72      -8.5298      1.00000
     73      -8.2915      1.00000
     74      -8.2356      1.00000
     75      -7.8142      1.00000
     76      -7.7190      1.00000
     77      -7.5618      1.00000
     78      -7.5277      1.00000
     79      -7.4656      1.00000
     80      -7.3950      1.00000
     81      -7.0857      1.00000
     82      -7.0755      1.00000
     83      -7.0371      1.00000
     84      -6.9865      1.00000
     85      -6.7840      1.00000
     86      -6.6676      1.00000
     87      -6.5597      1.00000
     88      -6.4703      1.00000
     89      -6.3604      1.00000
     90      -6.3014      1.00000
     91      -5.8743      1.00000
     92      -5.8727      1.00000
     93      -5.7736      1.00000
     94      -5.6367      1.00000
     95      -5.4587      1.00000
     96      -5.0697      1.00000
     97      -4.7213      1.00000
     98      -4.4335      1.00000
     99      -4.3761      1.00000
    100      -4.2252      1.00000
    101      -4.1681      1.00000
    102      -4.0116      1.00000
    103      -3.8282      1.00000
    104      -3.5306      1.00000
    105      -3.4736      1.00000
    106      -3.4031      1.00000
    107      -1.9044      0.00000
    108      -1.4386      0.00000
    109      -1.2725      0.00000
    110      -1.0550      0.00000
    111      -1.0057      0.00000
    112      -0.9718      0.00000
    113      -0.8643      0.00000
    114      -0.3417      0.00000
    115       0.0299      0.00000
    116       0.1557      0.00000
    117       0.7603      0.00000
    118       0.8656      0.00000
    119       1.0353      0.00000
    120       1.0878      0.00000
    121       1.2746      0.00000
    122       1.3696      0.00000
    123       1.4137      0.00000
    124       1.4834      0.00000
    125       1.5507      0.00000
    126       1.6670      0.00000
    127       1.7448      0.00000
    128       1.9634      0.00000
    129       1.9855      0.00000
    130       2.1298      0.00000
    131       2.2142      0.00000
    132       2.2605      0.00000
    133       2.3347      0.00000
    134       2.3744      0.00000
    135       2.4149      0.00000
    136       2.5084      0.00000
    137       2.6859      0.00000
    138       2.7061      0.00000
    139       2.7768      0.00000
    140       2.8304      0.00000
    141       2.8653      0.00000
    142       3.0398      0.00000
    143       3.1060      0.00000
    144       3.1198      0.00000
    145       3.1520      0.00000
    146       3.1779      0.00000
    147       3.2168      0.00000
    148       3.4144      0.00000
    149       3.4411      0.00000
    150       3.4766      0.00000
    151       3.5736      0.00000
    152       3.5901      0.00000
    153       3.7789      0.00000
    154       3.8390      0.00000
    155       3.9214      0.00000
    156       4.0140      0.00000
    157       4.1027      0.00000
    158       4.1415      0.00000
    159       4.1879      0.00000
    160       4.2916      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9338      1.00000
      2     -21.7348      1.00000
      3     -21.3780      1.00000
      4     -21.3427      1.00000
      5     -20.6388      1.00000
      6     -20.5977      1.00000
      7     -20.2753      1.00000
      8     -20.2334      1.00000
      9     -20.2265      1.00000
     10     -19.6931      1.00000
     11     -19.1771      1.00000
     12     -19.1457      1.00000
     13     -18.9791      1.00000
     14     -18.9603      1.00000
     15     -18.1140      1.00000
     16     -18.0695      1.00000
     17     -17.6036      1.00000
     18     -17.5727      1.00000
     19     -17.4249      1.00000
     20     -17.3828      1.00000
     21     -17.1207      1.00000
     22     -17.0884      1.00000
     23     -16.9940      1.00000
     24     -16.1525      1.00000
     25     -16.1331      1.00000
     26     -15.6498      1.00000
     27     -15.0973      1.00000
     28     -15.0533      1.00000
     29     -14.7788      1.00000
     30     -14.7405      1.00000
     31     -14.5207      1.00000
     32     -14.4810      1.00000
     33     -13.9805      1.00000
     34     -13.9372      1.00000
     35     -13.1380      1.00000
     36     -13.0850      1.00000
     37     -12.8625      1.00000
     38     -12.8242      1.00000
     39     -12.6619      1.00000
     40     -12.6438      1.00000
     41     -12.2983      1.00000
     42     -12.2580      1.00000
     43     -11.8929      1.00000
     44     -11.3646      1.00000
     45     -11.1994      1.00000
     46     -11.1361      1.00000
     47     -10.9678      1.00000
     48     -10.9132      1.00000
     49     -10.8269      1.00000
     50     -10.3888      1.00000
     51     -10.3104      1.00000
     52     -10.0959      1.00000
     53     -10.0099      1.00000
     54      -9.9712      1.00000
     55      -9.8434      1.00000
     56      -9.8174      1.00000
     57      -9.7538      1.00000
     58      -9.4761      1.00000
     59      -9.4571      1.00000
     60      -9.4053      1.00000
     61      -9.3791      1.00000
     62      -9.3599      1.00000
     63      -9.3247      1.00000
     64      -9.0574      1.00000
     65      -9.0202      1.00000
     66      -8.9767      1.00000
     67      -8.6919      1.00000
     68      -8.6540      1.00000
     69      -8.5209      1.00000
     70      -8.4773      1.00000
     71      -8.2578      1.00000
     72      -8.1824      1.00000
     73      -8.0726      1.00000
     74      -8.0569      1.00000
     75      -8.0106      1.00000
     76      -7.9482      1.00000
     77      -7.9178      1.00000
     78      -7.8889      1.00000
     79      -7.8778      1.00000
     80      -7.4616      1.00000
     81      -7.1127      1.00000
     82      -7.0598      1.00000
     83      -7.0388      1.00000
     84      -6.9407      1.00000
     85      -6.9133      1.00000
     86      -6.6824      1.00000
     87      -6.6540      1.00000
     88      -6.3006      1.00000
     89      -6.2597      1.00000
     90      -5.9415      1.00000
     91      -5.9042      1.00000
     92      -5.7165      1.00000
     93      -5.5319      1.00000
     94      -5.3799      1.00000
     95      -5.2255      1.00000
     96      -5.0778      1.00000
     97      -4.9727      1.00000
     98      -4.9178      1.00000
     99      -4.8693      1.00000
    100      -4.3389      1.00000
    101      -4.1576      1.00000
    102      -4.0570      1.00000
    103      -3.7837      1.00000
    104      -3.5596      1.00000
    105      -3.3693      1.00000
    106      -3.3578      1.00000
    107      -1.9362      0.00000
    108      -1.5114      0.00000
    109      -1.3160      0.00000
    110      -0.8666      0.00000
    111      -0.7486      0.00000
    112      -0.5981      0.00000
    113      -0.3836      0.00000
    114      -0.3423      0.00000
    115      -0.2979      0.00000
    116      -0.2474      0.00000
    117       0.4345      0.00000
    118       0.5246      0.00000
    119       0.8239      0.00000
    120       1.0770      0.00000
    121       1.1313      0.00000
    122       1.4285      0.00000
    123       1.5098      0.00000
    124       1.5650      0.00000
    125       1.6067      0.00000
    126       1.7091      0.00000
    127       1.8691      0.00000
    128       1.9049      0.00000
    129       1.9302      0.00000
    130       2.0425      0.00000
    131       2.0949      0.00000
    132       2.1765      0.00000
    133       2.3428      0.00000
    134       2.5196      0.00000
    135       2.5991      0.00000
    136       2.6354      0.00000
    137       2.6852      0.00000
    138       2.7466      0.00000
    139       2.8937      0.00000
    140       2.9691      0.00000
    141       3.0242      0.00000
    142       3.1861      0.00000
    143       3.2281      0.00000
    144       3.2530      0.00000
    145       3.3547      0.00000
    146       3.3971      0.00000
    147       3.4594      0.00000
    148       3.5377      0.00000
    149       3.6169      0.00000
    150       3.6236      0.00000
    151       3.6718      0.00000
    152       3.6737      0.00000
    153       3.8191      0.00000
    154       3.8968      0.00000
    155       3.9063      0.00000
    156       3.9295      0.00000
    157       3.9915      0.00000
    158       4.0207      0.00000
    159       4.0838      0.00000
    160       4.0929      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9690      1.00000
      2     -21.6105      1.00000
      3     -21.5613      1.00000
      4     -21.0385      1.00000
      5     -21.0142      1.00000
      6     -20.4898      1.00000
      7     -20.4421      1.00000
      8     -20.2814      1.00000
      9     -19.7396      1.00000
     10     -19.7359      1.00000
     11     -19.3774      1.00000
     12     -19.3555      1.00000
     13     -18.6603      1.00000
     14     -18.6543      1.00000
     15     -18.3128      1.00000
     16     -18.2996      1.00000
     17     -18.1173      1.00000
     18     -17.3425      1.00000
     19     -17.2800      1.00000
     20     -17.2678      1.00000
     21     -17.2414      1.00000
     22     -16.7929      1.00000
     23     -16.7758      1.00000
     24     -16.6749      1.00000
     25     -15.7152      1.00000
     26     -15.5446      1.00000
     27     -15.2715      1.00000
     28     -15.2622      1.00000
     29     -14.9015      1.00000
     30     -14.5574      1.00000
     31     -14.5267      1.00000
     32     -14.2469      1.00000
     33     -14.2049      1.00000
     34     -13.8158      1.00000
     35     -13.8056      1.00000
     36     -12.8726      1.00000
     37     -12.7748      1.00000
     38     -12.7176      1.00000
     39     -12.6880      1.00000
     40     -12.3975      1.00000
     41     -12.3871      1.00000
     42     -12.0116      1.00000
     43     -11.9841      1.00000
     44     -11.4204      1.00000
     45     -11.2719      1.00000
     46     -11.1985      1.00000
     47     -11.1018      1.00000
     48     -10.5887      1.00000
     49     -10.5703      1.00000
     50     -10.3313      1.00000
     51     -10.3135      1.00000
     52     -10.1907      1.00000
     53     -10.1772      1.00000
     54     -10.1686      1.00000
     55     -10.1042      1.00000
     56     -10.0413      1.00000
     57      -9.7109      1.00000
     58      -9.5823      1.00000
     59      -9.3092      1.00000
     60      -9.2539      1.00000
     61      -9.1489      1.00000
     62      -9.0897      1.00000
     63      -9.0833      1.00000
     64      -9.0688      1.00000
     65      -8.9992      1.00000
     66      -8.9711      1.00000
     67      -8.8228      1.00000
     68      -8.7820      1.00000
     69      -8.7161      1.00000
     70      -8.5239      1.00000
     71      -8.5175      1.00000
     72      -8.3889      1.00000
     73      -8.2734      1.00000
     74      -8.1167      1.00000
     75      -7.8556      1.00000
     76      -7.8110      1.00000
     77      -7.6184      1.00000
     78      -7.5755      1.00000
     79      -7.5566      1.00000
     80      -7.5080      1.00000
     81      -7.3941      1.00000
     82      -7.3886      1.00000
     83      -7.1282      1.00000
     84      -7.0714      1.00000
     85      -6.6096      1.00000
     86      -6.5624      1.00000
     87      -6.4964      1.00000
     88      -6.3493      1.00000
     89      -6.1824      1.00000
     90      -6.0949      1.00000
     91      -5.9885      1.00000
     92      -5.8394      1.00000
     93      -5.6999      1.00000
     94      -5.3138      1.00000
     95      -5.1641      1.00000
     96      -5.1277      1.00000
     97      -5.0266      1.00000
     98      -4.8706      1.00000
     99      -4.4868      1.00000
    100      -4.3907      1.00000
    101      -4.1554      1.00000
    102      -4.0492      1.00000
    103      -3.9398      1.00000
    104      -3.5527      1.00000
    105      -3.4896      1.00000
    106      -3.1083      1.00000
    107      -2.0814      0.00000
    108      -1.5733      0.00000
    109      -0.9023      0.00000
    110      -0.8916      0.00000
    111      -0.8175      0.00000
    112      -0.6710      0.00000
    113      -0.6647      0.00000
    114      -0.5404      0.00000
    115      -0.5301      0.00000
    116       0.5065      0.00000
    117       0.5351      0.00000
    118       0.5750      0.00000
    119       0.7936      0.00000
    120       1.0261      0.00000
    121       1.0873      0.00000
    122       1.2922      0.00000
    123       1.3063      0.00000
    124       1.4746      0.00000
    125       1.6324      0.00000
    126       1.7187      0.00000
    127       1.8178      0.00000
    128       2.0059      0.00000
    129       2.0461      0.00000
    130       2.0831      0.00000
    131       2.1596      0.00000
    132       2.3005      0.00000
    133       2.3071      0.00000
    134       2.4371      0.00000
    135       2.5451      0.00000
    136       2.7517      0.00000
    137       2.7982      0.00000
    138       2.8425      0.00000
    139       2.8930      0.00000
    140       2.9223      0.00000
    141       3.0271      0.00000
    142       3.0439      0.00000
    143       3.1113      0.00000
    144       3.1506      0.00000
    145       3.2228      0.00000
    146       3.3158      0.00000
    147       3.3660      0.00000
    148       3.4779      0.00000
    149       3.5734      0.00000
    150       3.5959      0.00000
    151       3.6460      0.00000
    152       3.7073      0.00000
    153       3.8117      0.00000
    154       3.8610      0.00000
    155       3.9429      0.00000
    156       3.9429      0.00000
    157       3.9753      0.00000
    158       4.0794      0.00000
    159       4.1628      0.00000
    160       4.1654      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8532      1.00000
      2     -21.7805      1.00000
      3     -21.6183      1.00000
      4     -21.0640      1.00000
      5     -20.7113      1.00000
      6     -20.6699      1.00000
      7     -20.1635      1.00000
      8     -20.1174      1.00000
      9     -19.9615      1.00000
     10     -19.9316      1.00000
     11     -19.6164      1.00000
     12     -19.5590      1.00000
     13     -18.5467      1.00000
     14     -18.4836      1.00000
     15     -18.0237      1.00000
     16     -17.9587      1.00000
     17     -17.8274      1.00000
     18     -17.7963      1.00000
     19     -17.4960      1.00000
     20     -17.4443      1.00000
     21     -16.9439      1.00000
     22     -16.9076      1.00000
     23     -16.8169      1.00000
     24     -16.8037      1.00000
     25     -15.7955      1.00000
     26     -15.5615      1.00000
     27     -15.5355      1.00000
     28     -15.4934      1.00000
     29     -14.8883      1.00000
     30     -14.2392      1.00000
     31     -14.1832      1.00000
     32     -13.9331      1.00000
     33     -13.6586      1.00000
     34     -13.6308      1.00000
     35     -13.5277      1.00000
     36     -13.4783      1.00000
     37     -13.2874      1.00000
     38     -13.2199      1.00000
     39     -13.0355      1.00000
     40     -12.3141      1.00000
     41     -11.8887      1.00000
     42     -11.7895      1.00000
     43     -11.7426      1.00000
     44     -11.6714      1.00000
     45     -11.4032      1.00000
     46     -11.3430      1.00000
     47     -11.1861      1.00000
     48     -10.8304      1.00000
     49     -10.7643      1.00000
     50     -10.4475      1.00000
     51     -10.3876      1.00000
     52     -10.0294      1.00000
     53      -9.9099      1.00000
     54      -9.8611      1.00000
     55      -9.8367      1.00000
     56      -9.7108      1.00000
     57      -9.6824      1.00000
     58      -9.6528      1.00000
     59      -9.5021      1.00000
     60      -9.4886      1.00000
     61      -9.4641      1.00000
     62      -9.4050      1.00000
     63      -9.1195      1.00000
     64      -9.0382      1.00000
     65      -8.7762      1.00000
     66      -8.7534      1.00000
     67      -8.6928      1.00000
     68      -8.5881      1.00000
     69      -8.5372      1.00000
     70      -8.4171      1.00000
     71      -8.3515      1.00000
     72      -8.2367      1.00000
     73      -8.2026      1.00000
     74      -8.1678      1.00000
     75      -8.1033      1.00000
     76      -8.0301      1.00000
     77      -7.9075      1.00000
     78      -7.7605      1.00000
     79      -7.7004      1.00000
     80      -7.6224      1.00000
     81      -7.4486      1.00000
     82      -7.2876      1.00000
     83      -7.1815      1.00000
     84      -6.7369      1.00000
     85      -6.6491      1.00000
     86      -6.5973      1.00000
     87      -6.4542      1.00000
     88      -6.2398      1.00000
     89      -6.1099      1.00000
     90      -6.1029      1.00000
     91      -5.9031      1.00000
     92      -5.6679      1.00000
     93      -5.5194      1.00000
     94      -5.4460      1.00000
     95      -5.2876      1.00000
     96      -5.1070      1.00000
     97      -4.9523      1.00000
     98      -4.8918      1.00000
     99      -4.8710      1.00000
    100      -4.5104      1.00000
    101      -4.1568      1.00000
    102      -4.0492      1.00000
    103      -3.9328      1.00000
    104      -3.5693      1.00000
    105      -3.5156      1.00000
    106      -2.8738      1.00000
    107      -2.2373      0.00000
    108      -1.6683      0.00000
    109      -0.9483      0.00000
    110      -0.9003      0.00000
    111      -0.8331      0.00000
    112      -0.7224      0.00000
    113      -0.2326      0.00000
    114      -0.1642      0.00000
    115      -0.0581      0.00000
    116       0.0512      0.00000
    117       0.2215      0.00000
    118       0.3038      0.00000
    119       0.7743      0.00000
    120       0.8659      0.00000
    121       0.9606      0.00000
    122       1.0539      0.00000
    123       1.2833      0.00000
    124       1.5235      0.00000
    125       1.5890      0.00000
    126       1.6758      0.00000
    127       1.9491      0.00000
    128       2.0040      0.00000
    129       2.0570      0.00000
    130       2.0910      0.00000
    131       2.2819      0.00000
    132       2.3655      0.00000
    133       2.4863      0.00000
    134       2.5940      0.00000
    135       2.6696      0.00000
    136       2.7628      0.00000
    137       2.9217      0.00000
    138       2.9841      0.00000
    139       3.0208      0.00000
    140       3.0359      0.00000
    141       3.1327      0.00000
    142       3.1513      0.00000
    143       3.1666      0.00000
    144       3.2176      0.00000
    145       3.3225      0.00000
    146       3.3829      0.00000
    147       3.4438      0.00000
    148       3.4576      0.00000
    149       3.4896      0.00000
    150       3.5249      0.00000
    151       3.5513      0.00000
    152       3.6033      0.00000
    153       3.6251      0.00000
    154       3.6777      0.00000
    155       3.7683      0.00000
    156       3.8960      0.00000
    157       3.9420      0.00000
    158       4.0414      0.00000
    159       4.1766      0.00000
    160       4.1974      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9688      1.00000
      2     -21.6167      1.00000
      3     -21.5553      1.00000
      4     -21.0451      1.00000
      5     -21.0039      1.00000
      6     -20.4978      1.00000
      7     -20.4388      1.00000
      8     -20.2847      1.00000
      9     -19.7549      1.00000
     10     -19.7142      1.00000
     11     -19.3858      1.00000
     12     -19.3496      1.00000
     13     -18.6785      1.00000
     14     -18.6345      1.00000
     15     -18.3184      1.00000
     16     -18.2711      1.00000
     17     -18.1286      1.00000
     18     -17.3427      1.00000
     19     -17.3196      1.00000
     20     -17.2750      1.00000
     21     -17.2512      1.00000
     22     -16.8135      1.00000
     23     -16.7549      1.00000
     24     -16.6185      1.00000
     25     -15.6632      1.00000
     26     -15.6099      1.00000
     27     -15.2724      1.00000
     28     -15.2173      1.00000
     29     -14.9777      1.00000
     30     -14.5488      1.00000
     31     -14.4751      1.00000
     32     -14.2669      1.00000
     33     -14.1936      1.00000
     34     -13.8501      1.00000
     35     -13.8369      1.00000
     36     -12.8399      1.00000
     37     -12.7497      1.00000
     38     -12.7164      1.00000
     39     -12.6669      1.00000
     40     -12.4106      1.00000
     41     -12.3519      1.00000
     42     -12.0143      1.00000
     43     -11.9740      1.00000
     44     -11.3827      1.00000
     45     -11.3167      1.00000
     46     -11.2630      1.00000
     47     -11.1824      1.00000
     48     -10.6242      1.00000
     49     -10.5900      1.00000
     50     -10.3348      1.00000
     51     -10.2455      1.00000
     52     -10.2164      1.00000
     53     -10.1679      1.00000
     54     -10.0971      1.00000
     55     -10.0626      1.00000
     56     -10.0115      1.00000
     57      -9.7122      1.00000
     58      -9.5771      1.00000
     59      -9.2787      1.00000
     60      -9.2099      1.00000
     61      -9.1208      1.00000
     62      -9.1149      1.00000
     63      -9.0620      1.00000
     64      -9.0449      1.00000
     65      -8.9844      1.00000
     66      -8.9560      1.00000
     67      -8.8718      1.00000
     68      -8.8276      1.00000
     69      -8.8031      1.00000
     70      -8.5663      1.00000
     71      -8.5203      1.00000
     72      -8.4134      1.00000
     73      -8.2736      1.00000
     74      -8.1594      1.00000
     75      -7.9038      1.00000
     76      -7.8475      1.00000
     77      -7.6175      1.00000
     78      -7.5400      1.00000
     79      -7.4910      1.00000
     80      -7.4374      1.00000
     81      -7.4111      1.00000
     82      -7.3266      1.00000
     83      -7.1699      1.00000
     84      -7.0467      1.00000
     85      -6.6510      1.00000
     86      -6.5868      1.00000
     87      -6.4781      1.00000
     88      -6.2926      1.00000
     89      -6.0827      1.00000
     90      -6.0365      1.00000
     91      -5.9799      1.00000
     92      -5.8816      1.00000
     93      -5.8050      1.00000
     94      -5.5000      1.00000
     95      -5.2577      1.00000
     96      -5.0868      1.00000
     97      -4.9165      1.00000
     98      -4.7488      1.00000
     99      -4.5353      1.00000
    100      -4.4122      1.00000
    101      -4.1676      1.00000
    102      -3.9984      1.00000
    103      -3.8730      1.00000
    104      -3.5893      1.00000
    105      -3.5207      1.00000
    106      -3.1425      1.00000
    107      -1.9581      0.00000
    108      -1.6943      0.00000
    109      -1.0248      0.00000
    110      -0.9440      0.00000
    111      -0.8323      0.00000
    112      -0.6640      0.00000
    113      -0.5198      0.00000
    114      -0.5012      0.00000
    115      -0.4127      0.00000
    116       0.3571      0.00000
    117       0.5062      0.00000
    118       0.5957      0.00000
    119       0.8117      0.00000
    120       1.0804      0.00000
    121       1.1015      0.00000
    122       1.2304      0.00000
    123       1.3493      0.00000
    124       1.4721      0.00000
    125       1.6007      0.00000
    126       1.7385      0.00000
    127       1.8100      0.00000
    128       1.9844      0.00000
    129       2.0727      0.00000
    130       2.0979      0.00000
    131       2.1616      0.00000
    132       2.3234      0.00000
    133       2.3321      0.00000
    134       2.4362      0.00000
    135       2.5087      0.00000
    136       2.7368      0.00000
    137       2.8011      0.00000
    138       2.8395      0.00000
    139       2.8669      0.00000
    140       2.9048      0.00000
    141       3.0199      0.00000
    142       3.0323      0.00000
    143       3.1032      0.00000
    144       3.1578      0.00000
    145       3.2492      0.00000
    146       3.3031      0.00000
    147       3.3755      0.00000
    148       3.4691      0.00000
    149       3.5721      0.00000
    150       3.5959      0.00000
    151       3.6711      0.00000
    152       3.6818      0.00000
    153       3.7966      0.00000
    154       3.8844      0.00000
    155       3.9079      0.00000
    156       3.9617      0.00000
    157       4.0026      0.00000
    158       4.0865      0.00000
    159       4.1292      0.00000
    160       4.1712      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0422      1.00000
      2     -21.4854      1.00000
      3     -21.2962      1.00000
      4     -21.2684      1.00000
      5     -20.9316      1.00000
      6     -20.8960      1.00000
      7     -20.7201      1.00000
      8     -19.8294      1.00000
      9     -19.7920      1.00000
     10     -19.2754      1.00000
     11     -19.2485      1.00000
     12     -19.0823      1.00000
     13     -18.7652      1.00000
     14     -18.7215      1.00000
     15     -18.7067      1.00000
     16     -18.6993      1.00000
     17     -18.0290      1.00000
     18     -18.0084      1.00000
     19     -17.6954      1.00000
     20     -16.7547      1.00000
     21     -16.7138      1.00000
     22     -16.6165      1.00000
     23     -16.5942      1.00000
     24     -16.1354      1.00000
     25     -16.1007      1.00000
     26     -15.2990      1.00000
     27     -15.2816      1.00000
     28     -14.9483      1.00000
     29     -14.9419      1.00000
     30     -14.8452      1.00000
     31     -14.7370      1.00000
     32     -14.6931      1.00000
     33     -14.3843      1.00000
     34     -14.3652      1.00000
     35     -13.4246      1.00000
     36     -13.3983      1.00000
     37     -12.8907      1.00000
     38     -12.3171      1.00000
     39     -12.2164      1.00000
     40     -12.1069      1.00000
     41     -12.0953      1.00000
     42     -11.8295      1.00000
     43     -11.8122      1.00000
     44     -11.4151      1.00000
     45     -11.3815      1.00000
     46     -11.2604      1.00000
     47     -10.8779      1.00000
     48     -10.8757      1.00000
     49     -10.6676      1.00000
     50     -10.6648      1.00000
     51     -10.6327      1.00000
     52     -10.5913      1.00000
     53     -10.1982      1.00000
     54      -9.8372      1.00000
     55      -9.7683      1.00000
     56      -9.7191      1.00000
     57      -9.5651      1.00000
     58      -9.3923      1.00000
     59      -9.3808      1.00000
     60      -9.3245      1.00000
     61      -9.3072      1.00000
     62      -9.2411      1.00000
     63      -9.2029      1.00000
     64      -8.9877      1.00000
     65      -8.9604      1.00000
     66      -8.9410      1.00000
     67      -8.9046      1.00000
     68      -8.7997      1.00000
     69      -8.7729      1.00000
     70      -8.7621      1.00000
     71      -8.6195      1.00000
     72      -8.5722      1.00000
     73      -8.3234      1.00000
     74      -8.3050      1.00000
     75      -7.7813      1.00000
     76      -7.7116      1.00000
     77      -7.6068      1.00000
     78      -7.5154      1.00000
     79      -7.4472      1.00000
     80      -7.4122      1.00000
     81      -7.1152      1.00000
     82      -6.9414      1.00000
     83      -6.9294      1.00000
     84      -6.9272      1.00000
     85      -6.9023      1.00000
     86      -6.7382      1.00000
     87      -6.5645      1.00000
     88      -6.4322      1.00000
     89      -6.3767      1.00000
     90      -6.3213      1.00000
     91      -5.8443      1.00000
     92      -5.8232      1.00000
     93      -5.7301      1.00000
     94      -5.6760      1.00000
     95      -5.6097      1.00000
     96      -5.0614      1.00000
     97      -4.6127      1.00000
     98      -4.5160      1.00000
     99      -4.3951      1.00000
    100      -4.2380      1.00000
    101      -4.1721      1.00000
    102      -3.8310      1.00000
    103      -3.7737      1.00000
    104      -3.7358      1.00000
    105      -3.4432      1.00000
    106      -3.4117      1.00000
    107      -1.8070      0.00000
    108      -1.4835      0.00000
    109      -1.4265      0.00000
    110      -1.0563      0.00000
    111      -1.0255      0.00000
    112      -0.9192      0.00000
    113      -0.8053      0.00000
    114      -0.2090      0.00000
    115       0.0221      0.00000
    116       0.0510      0.00000
    117       0.7372      0.00000
    118       0.8961      0.00000
    119       0.9163      0.00000
    120       1.2070      0.00000
    121       1.2594      0.00000
    122       1.3574      0.00000
    123       1.4525      0.00000
    124       1.4849      0.00000
    125       1.5744      0.00000
    126       1.6715      0.00000
    127       1.7501      0.00000
    128       1.9523      0.00000
    129       1.9779      0.00000
    130       2.1391      0.00000
    131       2.1622      0.00000
    132       2.2186      0.00000
    133       2.3359      0.00000
    134       2.3859      0.00000
    135       2.4244      0.00000
    136       2.5101      0.00000
    137       2.6904      0.00000
    138       2.7129      0.00000
    139       2.7782      0.00000
    140       2.8057      0.00000
    141       2.8474      0.00000
    142       3.0465      0.00000
    143       3.1366      0.00000
    144       3.1506      0.00000
    145       3.1548      0.00000
    146       3.1971      0.00000
    147       3.2107      0.00000
    148       3.4077      0.00000
    149       3.4134      0.00000
    150       3.4626      0.00000
    151       3.5924      0.00000
    152       3.5930      0.00000
    153       3.7636      0.00000
    154       3.8244      0.00000
    155       3.9181      0.00000
    156       3.9881      0.00000
    157       4.1296      0.00000
    158       4.1503      0.00000
    159       4.1951      0.00000
    160       4.4340      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8497      1.00000
      2     -21.7868      1.00000
      3     -21.6154      1.00000
      4     -21.0622      1.00000
      5     -20.7033      1.00000
      6     -20.6798      1.00000
      7     -20.1542      1.00000
      8     -20.1274      1.00000
      9     -19.9511      1.00000
     10     -19.9508      1.00000
     11     -19.6050      1.00000
     12     -19.5602      1.00000
     13     -18.5372      1.00000
     14     -18.4810      1.00000
     15     -18.0055      1.00000
     16     -17.9908      1.00000
     17     -17.8140      1.00000
     18     -17.8073      1.00000
     19     -17.4863      1.00000
     20     -17.4707      1.00000
     21     -16.9206      1.00000
     22     -16.8933      1.00000
     23     -16.8703      1.00000
     24     -16.7878      1.00000
     25     -15.7344      1.00000
     26     -15.5554      1.00000
     27     -15.5535      1.00000
     28     -15.4790      1.00000
     29     -14.9476      1.00000
     30     -14.2284      1.00000
     31     -14.2066      1.00000
     32     -13.9959      1.00000
     33     -13.6426      1.00000
     34     -13.5985      1.00000
     35     -13.4663      1.00000
     36     -13.4475      1.00000
     37     -13.2984      1.00000
     38     -13.2696      1.00000
     39     -13.0156      1.00000
     40     -12.2749      1.00000
     41     -11.8679      1.00000
     42     -11.8509      1.00000
     43     -11.7517      1.00000
     44     -11.7173      1.00000
     45     -11.3981      1.00000
     46     -11.3139      1.00000
     47     -11.1636      1.00000
     48     -10.8066      1.00000
     49     -10.7991      1.00000
     50     -10.4833      1.00000
     51     -10.4299      1.00000
     52     -10.0407      1.00000
     53      -9.8745      1.00000
     54      -9.8665      1.00000
     55      -9.8504      1.00000
     56      -9.6884      1.00000
     57      -9.6378      1.00000
     58      -9.6376      1.00000
     59      -9.4793      1.00000
     60      -9.4571      1.00000
     61      -9.4210      1.00000
     62      -9.4188      1.00000
     63      -9.1511      1.00000
     64      -9.0272      1.00000
     65      -8.7448      1.00000
     66      -8.7394      1.00000
     67      -8.6938      1.00000
     68      -8.6295      1.00000
     69      -8.5537      1.00000
     70      -8.3817      1.00000
     71      -8.3705      1.00000
     72      -8.2738      1.00000
     73      -8.2552      1.00000
     74      -8.1613      1.00000
     75      -8.1596      1.00000
     76      -8.0091      1.00000
     77      -7.9785      1.00000
     78      -7.7790      1.00000
     79      -7.7375      1.00000
     80      -7.5587      1.00000
     81      -7.3520      1.00000
     82      -7.3144      1.00000
     83      -7.2369      1.00000
     84      -6.6754      1.00000
     85      -6.5818      1.00000
     86      -6.4860      1.00000
     87      -6.3051      1.00000
     88      -6.2798      1.00000
     89      -6.1805      1.00000
     90      -6.1721      1.00000
     91      -6.0516      1.00000
     92      -5.6803      1.00000
     93      -5.4967      1.00000
     94      -5.4537      1.00000
     95      -5.3218      1.00000
     96      -5.0899      1.00000
     97      -4.9685      1.00000
     98      -4.9080      1.00000
     99      -4.8543      1.00000
    100      -4.4345      1.00000
    101      -4.1414      1.00000
    102      -4.0302      1.00000
    103      -3.9473      1.00000
    104      -3.5778      1.00000
    105      -3.5328      1.00000
    106      -2.9141      1.00000
    107      -2.1598      0.00000
    108      -1.7225      0.00000
    109      -0.9151      0.00000
    110      -0.8960      0.00000
    111      -0.8931      0.00000
    112      -0.7655      0.00000
    113      -0.1559      0.00000
    114      -0.1433      0.00000
    115      -0.0489      0.00000
    116      -0.0291      0.00000
    117       0.3355      0.00000
    118       0.3444      0.00000
    119       0.7257      0.00000
    120       0.8243      0.00000
    121       0.9734      0.00000
    122       1.0253      0.00000
    123       1.2465      0.00000
    124       1.5618      0.00000
    125       1.5827      0.00000
    126       1.6628      0.00000
    127       1.9690      0.00000
    128       1.9808      0.00000
    129       2.0499      0.00000
    130       2.1132      0.00000
    131       2.2832      0.00000
    132       2.3637      0.00000
    133       2.5191      0.00000
    134       2.5327      0.00000
    135       2.6492      0.00000
    136       2.8233      0.00000
    137       2.8963      0.00000
    138       2.9466      0.00000
    139       3.0267      0.00000
    140       3.0391      0.00000
    141       3.1283      0.00000
    142       3.1736      0.00000
    143       3.2037      0.00000
    144       3.2197      0.00000
    145       3.3255      0.00000
    146       3.3520      0.00000
    147       3.4355      0.00000
    148       3.4737      0.00000
    149       3.5039      0.00000
    150       3.5240      0.00000
    151       3.5388      0.00000
    152       3.5716      0.00000
    153       3.6172      0.00000
    154       3.6772      0.00000
    155       3.7968      0.00000
    156       3.9052      0.00000
    157       3.9427      0.00000
    158       4.0445      0.00000
    159       4.1599      0.00000
    160       4.2121      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9329      1.00000
      2     -21.7379      1.00000
      3     -21.3733      1.00000
      4     -21.3430      1.00000
      5     -20.6374      1.00000
      6     -20.5997      1.00000
      7     -20.2686      1.00000
      8     -20.2410      1.00000
      9     -20.2310      1.00000
     10     -19.6987      1.00000
     11     -19.1677      1.00000
     12     -19.1405      1.00000
     13     -18.9731      1.00000
     14     -18.9589      1.00000
     15     -18.1147      1.00000
     16     -18.0798      1.00000
     17     -17.5938      1.00000
     18     -17.5697      1.00000
     19     -17.4346      1.00000
     20     -17.3987      1.00000
     21     -17.1056      1.00000
     22     -17.0840      1.00000
     23     -17.0383      1.00000
     24     -16.1355      1.00000
     25     -16.0985      1.00000
     26     -15.5930      1.00000
     27     -15.0953      1.00000
     28     -15.0765      1.00000
     29     -14.7823      1.00000
     30     -14.7596      1.00000
     31     -14.5645      1.00000
     32     -14.5592      1.00000
     33     -13.9556      1.00000
     34     -13.8896      1.00000
     35     -13.1148      1.00000
     36     -13.0372      1.00000
     37     -12.8789      1.00000
     38     -12.8544      1.00000
     39     -12.6320      1.00000
     40     -12.6086      1.00000
     41     -12.3231      1.00000
     42     -12.3009      1.00000
     43     -11.8578      1.00000
     44     -11.2769      1.00000
     45     -11.2765      1.00000
     46     -11.1989      1.00000
     47     -11.0134      1.00000
     48     -10.9703      1.00000
     49     -10.7797      1.00000
     50     -10.3622      1.00000
     51     -10.3274      1.00000
     52     -10.0925      1.00000
     53      -9.9782      1.00000
     54      -9.9756      1.00000
     55      -9.8549      1.00000
     56      -9.7998      1.00000
     57      -9.7621      1.00000
     58      -9.4688      1.00000
     59      -9.3978      1.00000
     60      -9.3833      1.00000
     61      -9.3574      1.00000
     62      -9.3444      1.00000
     63      -9.3138      1.00000
     64      -9.0141      1.00000
     65      -9.0132      1.00000
     66      -8.9954      1.00000
     67      -8.6662      1.00000
     68      -8.6473      1.00000
     69      -8.5824      1.00000
     70      -8.4601      1.00000
     71      -8.2950      1.00000
     72      -8.2046      1.00000
     73      -8.1100      1.00000
     74      -8.0834      1.00000
     75      -8.0005      1.00000
     76      -7.9896      1.00000
     77      -7.9677      1.00000
     78      -7.9608      1.00000
     79      -7.9298      1.00000
     80      -7.5046      1.00000
     81      -7.1663      1.00000
     82      -6.9488      1.00000
     83      -6.8778      1.00000
     84      -6.8257      1.00000
     85      -6.8075      1.00000
     86      -6.6566      1.00000
     87      -6.6187      1.00000
     88      -6.3609      1.00000
     89      -6.2091      1.00000
     90      -6.1305      1.00000
     91      -6.0309      1.00000
     92      -5.6547      1.00000
     93      -5.5170      1.00000
     94      -5.3958      1.00000
     95      -5.3035      1.00000
     96      -5.0482      1.00000
     97      -4.9978      1.00000
     98      -4.9097      1.00000
     99      -4.8693      1.00000
    100      -4.2409      1.00000
    101      -4.1560      1.00000
    102      -3.9727      1.00000
    103      -3.7823      1.00000
    104      -3.5858      1.00000
    105      -3.4856      1.00000
    106      -3.3416      1.00000
    107      -1.7429      0.00000
    108      -1.5772      0.00000
    109      -1.5315      0.00000
    110      -0.7404      0.00000
    111      -0.7279      0.00000
    112      -0.6914      0.00000
    113      -0.3702      0.00000
    114      -0.3654      0.00000
    115      -0.2502      0.00000
    116      -0.2370      0.00000
    117       0.4990      0.00000
    118       0.5703      0.00000
    119       0.8177      0.00000
    120       1.0677      0.00000
    121       1.1289      0.00000
    122       1.3184      0.00000
    123       1.5184      0.00000
    124       1.5325      0.00000
    125       1.6210      0.00000
    126       1.7217      0.00000
    127       1.8368      0.00000
    128       1.8751      0.00000
    129       1.9097      0.00000
    130       2.0280      0.00000
    131       2.1232      0.00000
    132       2.2619      0.00000
    133       2.3524      0.00000
    134       2.4932      0.00000
    135       2.6070      0.00000
    136       2.6671      0.00000
    137       2.6777      0.00000
    138       2.7460      0.00000
    139       2.8799      0.00000
    140       2.9338      0.00000
    141       3.0207      0.00000
    142       3.1842      0.00000
    143       3.2224      0.00000
    144       3.2509      0.00000
    145       3.3716      0.00000
    146       3.3929      0.00000
    147       3.4516      0.00000
    148       3.5697      0.00000
    149       3.6174      0.00000
    150       3.6395      0.00000
    151       3.6548      0.00000
    152       3.6739      0.00000
    153       3.8308      0.00000
    154       3.8740      0.00000
    155       3.9101      0.00000
    156       3.9158      0.00000
    157       3.9985      0.00000
    158       4.0302      0.00000
    159       4.0682      0.00000
    160       4.0873      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8841   -7.1142    4.1280   -1.3432   -0.2926   17.7529   -0.2902   -0.0271    0.1580   -0.1170
x    -3.2494   -0.0117   -0.0004   -0.0472    0.1030   -3.0340    0.0183   -0.0215    0.0096    0.0027
x    -0.0932    0.0021   -0.0004   -0.0004    0.0005   -0.0242   -0.0001   -0.0001    0.0000    0.0001
x    -0.0034   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8841    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0007    0.0009    0.0033   -0.1129   -0.0412    0.0836    0.0206
y     0.0027   -3.2784   -0.0623    0.2334   -2.4143   -0.6413
z   203.8841    1.5169    0.2861    0.1117    0.0446    0.0903   -0.0025   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0856    0.0045   -0.0014    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4349
z    -0.4248    0.1522    0.0472    0.1390   -0.0963    0.0004
 total charge-density along one line
x   212.0000  -10.0887    6.1799   -2.2004   -0.5441   19.7329   -1.5376    1.0933   -0.6230    0.2975
x    -2.8376    0.0059    0.0200   -0.0539    0.0881   -2.3114    0.0252   -0.0277    0.0130    0.0038
x    -0.0883    0.0075   -0.0047    0.0021   -0.0006   -0.0364   -0.0003   -0.0004    0.0004   -0.0003
x    -0.0053    0.0000   -0.0002    0.0001    0.0000    0.0011    0.0002   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0001   -0.0005    0.0001   -0.0001    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.0887    6.1799   -2.2004   -0.5441   19.7329   -1.5376    1.0933   -0.6230    0.2975
y    -2.8376    0.0059    0.0200   -0.0539    0.0881   -2.3114    0.0252   -0.0277    0.0130    0.0038
y    -0.0883    0.0075   -0.0047    0.0021   -0.0006   -0.0364   -0.0003   -0.0004    0.0004   -0.0003
y    -0.0053    0.0000   -0.0002    0.0001    0.0000    0.0011    0.0002   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0001   -0.0005    0.0001   -0.0001    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 -205.1415  189.0853 -171.5118  155.1487 -138.8723  122.8293 -108.2144   94.3338  -79.5305
z    64.1461  -50.3194   39.3993  -31.0575   24.4939  -19.2588   15.0103  -11.4007    8.3522   -5.9865
z     4.2454   -2.8848    1.7952   -1.0363    0.5714   -0.2206   -0.1040    0.3232   -0.3882    0.3909
z    -0.4247    0.4631   -0.4410    0.3703   -0.3096    0.2762   -0.2460    0.2080   -0.1730    0.1454
z    -0.1196    0.0961   -0.0794    0.0673   -0.0547    0.0432   -0.0367    0.0330   -0.0276    0.0212
z    -0.0175    0.0162   -0.0143    0.0109   -0.0081    0.0069   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.926   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.049   0.000   0.007   0.002   0.000   0.208
  0.000   0.041   0.000 -10.973   0.000   0.000  -0.005   0.000
  0.000   0.000   0.007   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.169   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.020   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.926   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.049   0.000   0.007   0.002   0.000   0.208
  0.000   0.041   0.000 -10.973   0.000   0.000  -0.005   0.000
  0.000   0.000   0.007   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.169   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.020   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.040   0.000  -0.002   0.091   0.000  -0.024   0.000  -0.008   0.066  -0.012   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.091   0.000   0.000   0.236   0.000  -0.069   0.000   0.000   0.000   0.016   0.000   0.018   0.023
  0.040   0.000   1.721   0.000  -0.020  -0.013   0.000   0.403   0.000   0.006  -0.312   0.025   0.000  -0.024   0.000   0.000
  0.000   0.091   0.000   1.777   0.000   0.000  -0.069   0.000   0.312   0.000   0.000   0.000   0.018   0.000  -0.002  -0.001
 -0.002   0.000  -0.020   0.000   1.950  -0.008   0.000   0.012   0.000   0.080  -0.057   0.006   0.000  -0.007   0.000   0.000
  0.091   0.000  -0.013   0.000  -0.008   0.031   0.000  -0.037   0.000   0.005  -0.066   0.027   0.000   0.026   0.000   0.000
  0.000   0.236   0.000  -0.069   0.000   0.000   0.146   0.000  -0.077   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.403   0.000   0.012  -0.037   0.000   0.667   0.000   0.022   0.514  -0.353   0.000  -0.101   0.000   0.000
  0.000  -0.069   0.000   0.312   0.000   0.000  -0.077   0.000   0.236   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.008   0.000   0.006   0.000   0.080   0.005   0.000   0.022   0.000   0.037   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.066   0.000  -0.312   0.000  -0.057  -0.066   0.000   0.514   0.000   0.043   0.869  -0.390   0.000  -0.152   0.000   0.000
 -0.012   0.000   0.025   0.000   0.006   0.027   0.000  -0.353   0.000  -0.016  -0.390   0.271   0.000   0.079   0.000   0.000
  0.000   0.016   0.000   0.018   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.024   0.000  -0.007   0.026   0.000  -0.101   0.000  -0.015  -0.152   0.079   0.000   0.171   0.000   0.000
  0.000   0.018   0.000  -0.002   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.029   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.024   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.426   0.163   8.206   8.796
  2        0.629   0.031   0.000   0.660
  3        0.545   0.027   0.000   0.572
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.645
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.646
 11        0.863   1.781   0.000   2.644
 12        0.863   1.785   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.635
 17        0.850   1.759   0.000   2.609
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.770   0.000   2.634
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.784   0.000   2.648
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.784   0.000   2.648
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.759   0.000   2.609
 42        0.864   1.772   0.000   2.635
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.785   0.000   2.649
 47        0.863   1.781   0.000   2.644
 48        0.863   1.782   0.000   2.646
 49        0.863   1.781   0.000   2.645
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.645
------------------------------------------------
tot       44.742  89.255   8.206 142.204
 


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


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


    CHARGE:  VPU time  113.99: CPU time   57.52
    FORLOC:  VPU time    1.24: CPU time    1.24
    FORNL :  VPU time  441.79: CPU time  221.30
    STRESS:  VPU time 1337.73: CPU time  673.31
    FORCOR:  VPU time    8.64: CPU time    8.64
    FORHAR:  VPU time    2.26: CPU time    2.26
    MIXING:  VPU time    0.21: CPU time    0.21
 d Force =-0.2965128E-01[-0.767E-01, 0.174E-01]  d Energy =-0.3438288E-01 0.473E-02
 d Force = 0.2191182E+01[ 0.197E+01, 0.241E+01]  d Ewald  = 0.8446856E+01-0.626E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.301900 eV

  energy  without entropy=     -470.301900  energy(sigma->0) =     -470.301900
 

  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    40583.24  40596.90 -47248.60     11.82      0.00      0.00
  Hartree  40126.12  40119.49 -39358.29     -5.74      0.00      0.00
  E(xc)     -779.93   -779.90   -806.98      0.02      0.00      0.00
  Local   -83001.52 -83004.62  83935.23     -2.69      0.00      0.00
  n-local   -223.86   -221.92   -215.74      0.94      0.00      0.00
  augment     21.47     21.89     18.88      0.36      0.00      0.00
  Kinetic   3174.14   3180.05   3581.17     -2.83      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -2.63      2.06     -0.40      4.06      0.00      0.00
  in kB       -1.60      1.25     -0.24      2.47      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
    12.358989176 -0.010665386  0.000000000     0.080953180  0.046831601  0.000000000
    -6.188737728 10.697861803  0.000000000     0.000080707  0.093523313  0.000000000
     0.000000000  0.000000000 19.962820339     0.000000000  0.000000000  0.050093122

  length of vectors
    12.358993778 12.358993560 19.962820339     0.093523346  0.093523348  0.050093122


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.939E-05 -.431E-04 -.104E+04   0.572E-05 -.293E-04 0.104E+04   0.233E-20 0.000E+00 0.318E+01   -.214E-06 0.119E-06 -.579E-02
   -.606E-06 -.769E-05 -.108E+03   -.726E-07 -.946E-06 0.104E+03   0.530E-21 0.000E+00 0.347E+01   -.843E-09 0.302E-09 0.102E-02
   -.460E-06 -.642E-05 -.114E+03   -.718E-07 -.596E-06 0.118E+03   0.106E-21 0.000E+00 -.459E+01   -.181E-10 -.165E-09 0.365E-03
   -.308E+01 0.178E+01 0.219E+02   0.331E+01 -.191E+01 -.219E+02   0.118E+00 -.679E-01 0.202E-01   -.138E-03 0.774E-04 -.746E-03
   0.428E+01 0.751E+01 0.248E+02   -.404E+01 -.768E+01 -.248E+02   0.115E+00 -.557E-01 -.255E-02   -.233E-02 0.159E-02 -.931E-03
   0.966E+01 0.592E+01 0.207E+02   -.945E+01 -.605E+01 -.207E+02   0.113E+00 -.445E-01 -.535E-01   -.224E-02 0.266E-02 -.351E-03
   0.318E+01 -.603E+00 0.189E+02   -.299E+01 0.521E+00 -.189E+02   0.126E+00 -.701E-01 0.287E-01   -.984E-03 0.757E-03 0.102E-03
   -.396E+01 -.176E+01 0.176E+02   0.419E+01 0.165E+01 -.176E+02   0.109E+00 -.731E-01 0.260E-01   -.186E-03 -.201E-04 -.223E-03
   -.458E+00 0.431E+01 0.176E+02   0.666E+00 -.445E+01 -.176E+02   0.118E+00 -.580E-01 0.260E-01   -.800E-04 0.166E-03 -.227E-03
   0.170E+01 0.185E+02 0.285E+02   -.149E+01 -.186E+02 -.285E+02   0.126E+00 -.277E-02 0.326E-01   0.673E-03 0.300E-03 -.848E-03
   0.200E+02 0.241E+02 0.401E+02   -.199E+02 -.244E+02 -.400E+02   0.139E+00 0.133E+00 -.101E+00   -.920E-03 0.510E-02 -.112E-02
   0.255E+02 -.431E+01 0.254E+02   -.255E+02 0.427E+01 -.254E+02   0.336E+00 -.182E+00 0.665E-01   -.314E-03 0.254E-02 -.244E-03
   0.779E+01 -.450E+01 0.163E+02   -.754E+01 0.435E+01 -.163E+02   0.119E+00 -.686E-01 0.393E-01   -.349E-03 0.196E-03 0.369E-04
   0.211E+01 -.245E+01 0.189E+02   -.195E+01 0.233E+01 -.189E+02   0.124E+00 -.743E-01 0.287E-01   -.115E-02 0.470E-03 0.928E-04
   -.704E+01 0.137E+02 0.220E+02   0.723E+01 -.138E+02 -.220E+02   0.118E+00 -.125E-01 0.269E-01   0.158E-03 0.220E-02 0.171E-04
   -.140E+02 0.354E+02 0.385E+02   0.142E+02 -.360E+02 -.391E+02   0.129E+00 0.442E+00 0.525E+00   0.130E-02 0.168E-02 -.142E-02
   0.327E+02 -.189E+02 0.477E+02   -.338E+02 0.195E+02 -.503E+02   0.131E+01 -.756E+00 0.261E+01   -.306E-02 0.176E-02 -.436E-02
   0.165E+02 -.199E+02 0.254E+02   -.164E+02 0.199E+02 -.254E+02   0.326E+00 -.200E+00 0.665E-01   -.236E-02 -.100E-02 -.250E-03
   -.296E+00 -.113E+02 0.207E+02   0.514E+00 0.112E+02 -.207E+02   0.953E-01 -.760E-01 -.535E-01   -.342E-02 0.605E-03 -.358E-03
   -.493E+01 0.219E+01 0.160E+02   0.514E+01 -.234E+01 -.160E+02   0.100E+00 -.696E-01 -.414E-01   -.269E-02 0.182E-02 0.673E-04
   -.191E+02 0.110E+02 0.191E+02   0.194E+02 -.112E+02 -.189E+02   0.999E-01 -.577E-01 -.157E+00   -.294E-02 0.170E-02 0.414E-05
   -.376E+02 -.560E+01 0.385E+02   0.383E+02 0.574E+01 -.391E+02   -.318E+00 -.332E+00 0.525E+00   -.802E-03 -.197E-02 -.142E-02
   -.109E+02 -.294E+02 0.401E+02   0.112E+02 0.294E+02 -.400E+02   -.458E-01 -.187E+00 -.101E+00   -.487E-02 -.176E-02 -.112E-02
   -.437E+01 -.746E+01 0.248E+02   0.463E+01 0.734E+01 -.248E+02   0.106E+00 -.718E-01 -.255E-02   -.255E-02 0.122E-02 -.932E-03
   -.226E+00 0.130E+00 0.179E+02   0.452E+00 -.261E+00 -.178E+02   0.112E+00 -.645E-01 -.315E-01   -.306E-02 0.177E-02 -.397E-03
   -.436E+01 0.317E+01 0.160E+02   0.460E+01 -.328E+01 -.160E+02   0.110E+00 -.518E-01 -.414E-01   -.292E-02 0.142E-02 0.726E-04
   -.154E+02 -.731E+00 0.220E+02   0.156E+02 0.659E+00 -.220E+02   0.699E-01 -.960E-01 0.269E-01   -.182E-02 -.124E-02 0.260E-04
   -.152E+02 -.107E+02 0.285E+02   0.154E+02 0.106E+02 -.285E+02   0.652E-01 -.107E+00 0.326E-01   0.778E-04 -.737E-03 -.844E-03
   0.437E+01 0.746E+01 0.248E+02   -.463E+01 -.734E+01 -.248E+02   -.106E+00 0.718E-01 -.255E-02   0.255E-02 -.122E-02 -.932E-03
   0.152E+02 0.107E+02 0.285E+02   -.154E+02 -.106E+02 -.285E+02   -.652E-01 0.107E+00 0.326E-01   -.781E-04 0.738E-03 -.844E-03
   0.154E+02 0.731E+00 0.220E+02   -.156E+02 -.659E+00 -.220E+02   -.699E-01 0.960E-01 0.269E-01   0.182E-02 0.124E-02 0.259E-04
   0.436E+01 -.317E+01 0.160E+02   -.460E+01 0.328E+01 -.160E+02   -.110E+00 0.518E-01 -.414E-01   0.292E-02 -.142E-02 0.726E-04
   0.226E+00 -.130E+00 0.179E+02   -.452E+00 0.261E+00 -.178E+02   -.112E+00 0.645E-01 -.315E-01   0.306E-02 -.177E-02 -.397E-03
   0.295E+00 0.113E+02 0.207E+02   -.514E+00 -.112E+02 -.207E+02   -.953E-01 0.760E-01 -.535E-01   0.342E-02 -.605E-03 -.358E-03
   0.109E+02 0.294E+02 0.401E+02   -.112E+02 -.294E+02 -.400E+02   0.458E-01 0.187E+00 -.101E+00   0.487E-02 0.176E-02 -.112E-02
   0.376E+02 0.560E+01 0.385E+02   -.383E+02 -.574E+01 -.391E+02   0.318E+00 0.332E+00 0.525E+00   0.801E-03 0.197E-02 -.142E-02
   0.191E+02 -.110E+02 0.191E+02   -.194E+02 0.112E+02 -.189E+02   -.999E-01 0.577E-01 -.157E+00   0.294E-02 -.170E-02 0.411E-05
   0.493E+01 -.219E+01 0.160E+02   -.514E+01 0.234E+01 -.160E+02   -.100E+00 0.696E-01 -.414E-01   0.269E-02 -.182E-02 0.672E-04
   -.211E+01 0.245E+01 0.189E+02   0.195E+01 -.233E+01 -.189E+02   -.124E+00 0.743E-01 0.287E-01   0.115E-02 -.470E-03 0.928E-04
   -.165E+02 0.199E+02 0.254E+02   0.164E+02 -.199E+02 -.254E+02   -.326E+00 0.200E+00 0.665E-01   0.236E-02 0.100E-02 -.250E-03
   -.327E+02 0.189E+02 0.477E+02   0.338E+02 -.195E+02 -.503E+02   -.131E+01 0.756E+00 0.261E+01   0.306E-02 -.176E-02 -.436E-02
   0.140E+02 -.354E+02 0.385E+02   -.142E+02 0.360E+02 -.391E+02   -.129E+00 -.442E+00 0.525E+00   -.130E-02 -.168E-02 -.142E-02
   0.704E+01 -.137E+02 0.220E+02   -.723E+01 0.138E+02 -.220E+02   -.118E+00 0.125E-01 0.269E-01   -.158E-03 -.220E-02 0.171E-04
   0.458E+00 -.431E+01 0.176E+02   -.666E+00 0.445E+01 -.176E+02   -.118E+00 0.580E-01 0.260E-01   0.802E-04 -.166E-03 -.227E-03
   -.779E+01 0.450E+01 0.163E+02   0.754E+01 -.435E+01 -.163E+02   -.119E+00 0.686E-01 0.393E-01   0.350E-03 -.197E-03 0.369E-04
   -.255E+02 0.431E+01 0.254E+02   0.255E+02 -.427E+01 -.254E+02   -.336E+00 0.182E+00 0.665E-01   0.315E-03 -.254E-02 -.244E-03
   -.200E+02 -.241E+02 0.401E+02   0.199E+02 0.244E+02 -.400E+02   -.139E+00 -.133E+00 -.101E+00   0.920E-03 -.510E-02 -.112E-02
   -.170E+01 -.185E+02 0.285E+02   0.149E+01 0.186E+02 -.285E+02   -.126E+00 0.277E-02 0.326E-01   -.673E-03 -.300E-03 -.848E-03
   0.308E+01 -.178E+01 0.219E+02   -.331E+01 0.191E+01 -.219E+02   -.118E+00 0.679E-01 0.202E-01   0.138E-03 -.772E-04 -.746E-03
   0.396E+01 0.176E+01 0.176E+02   -.419E+01 -.165E+01 -.176E+02   -.109E+00 0.731E-01 0.260E-01   0.186E-03 0.200E-04 -.223E-03
   -.318E+01 0.603E+00 0.189E+02   0.299E+01 -.521E+00 -.189E+02   -.126E+00 0.701E-01 0.287E-01   0.984E-03 -.757E-03 0.102E-03
   -.966E+01 -.592E+01 0.207E+02   0.945E+01 0.605E+01 -.207E+02   -.113E+00 0.445E-01 -.535E-01   0.224E-02 -.266E-02 -.351E-03
   -.428E+01 -.751E+01 0.248E+02   0.404E+01 0.768E+01 -.248E+02   -.115E+00 0.557E-01 -.255E-02   0.233E-02 -.159E-02 -.931E-03
 -----------------------------------------------------------------------------------------------
   -.208E-02 0.471E-03 -.903E+01   0.145E-12 0.568E-13 0.444E-12   -.847E-15 0.319E-15 0.906E+01   -.965E-07 0.144E-07 -.352E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.84861      6.05750     12.23102         0.000000      0.000000     -0.004922
      1.84861      6.05750     14.01148         0.000000      0.000000     -0.010118
      1.84861      6.05750     14.78158         0.000000      0.000000     -0.006608
     -0.00244      0.00141      9.91628         0.343172     -0.198130     -0.001660
     11.11738      2.12990      9.91989         0.347279     -0.217595     -0.005401
      9.87841      4.26952      9.94455         0.322555     -0.171900     -0.000454
      8.64190      6.40934      9.94442         0.319711     -0.151230      0.001796
     -4.95181      8.56000      9.93509         0.335641     -0.182562     -0.001192
     -3.71883     10.69558      9.93509         0.325923     -0.199392     -0.001192
      1.23097      2.13618      9.94311         0.335297     -0.154292     -0.002919
     -0.01140      4.27644      9.99696         0.265713     -0.170285      0.005601
     -1.25130      6.41682     10.00610         0.362826     -0.218758      0.025286
     -2.48075      8.55705      9.95921         0.375109     -0.216569      0.003019
      4.94056     -0.00158      9.94442         0.290825     -0.201263      0.001796
      3.70380      2.13228      9.95841         0.306706     -0.191908     -0.000890
      2.46734      4.25388     10.07631         0.335323     -0.183723     -0.006855
      1.21245      6.42479     10.22396         0.251111     -0.144979      0.017990
     -0.01253      8.56244     10.00610         0.370863     -0.204838      0.025286
      7.41195     -0.00252      9.94455         0.310148     -0.193391     -0.000454
      6.17439      2.13523      9.94613         0.309921     -0.220501     -0.006202
      4.93814      4.27376      9.99664         0.380343     -0.219591     -0.017485
      3.71995      6.42347     10.07631         0.326770     -0.198537     -0.006855
      2.46105      8.55885      9.99696         0.280328     -0.144972      0.005601
      9.88439     -0.00568      9.91989         0.362082     -0.191955     -0.005401
      8.64541      2.13337      9.92722         0.335197     -0.193526     -0.008577
      7.40828      4.27241      9.94613         0.345920     -0.158149     -0.006202
      6.17554      6.41347      9.95841         0.319550     -0.169661     -0.000890
      4.93575      8.55306      9.94311         0.301270     -0.213230     -0.002919
      0.00156      1.42282      9.91989        -0.362082      0.191955     -0.005401
     -1.23853      3.56194      9.94311        -0.301270      0.213230     -0.002919
     -2.47832      5.70153      9.95841        -0.319550      0.169661     -0.000890
     -3.71106      7.84259      9.94613        -0.345920      0.158149     -0.006202
     -4.94819      9.98163      9.92722        -0.335197      0.193526     -0.008577
      2.47401      1.41965      9.94455        -0.310148      0.193391     -0.000454
      1.23618      3.55615      9.99696        -0.280328      0.144972      0.005601
     -0.02273      5.69153     10.07631        -0.326770      0.198537     -0.006855
     -1.24092      7.84124      9.99664        -0.380343      0.219591     -0.017485
     -2.47716      9.97977      9.94613        -0.309921      0.220501     -0.006202
      4.94540      1.41872      9.94442        -0.290825      0.201263      0.001796
      3.70975      3.55256     10.00610        -0.370863      0.204838      0.025286
      2.48477      5.69021     10.22396        -0.251111      0.144979      0.017990
      1.22988      7.86112     10.07631        -0.335323      0.183723     -0.006855
     -0.00658      9.98272      9.95841        -0.306706      0.191908     -0.000890
      7.41605      1.41942      9.93509        -0.325923      0.199392     -0.001192
      6.17797      3.55795      9.95921        -0.375109      0.216569      0.003019
      4.94852      5.69818     10.00610        -0.362826      0.218758      0.025286
      3.70862      7.83856      9.99696        -0.265713      0.170285      0.005601
      2.46625      9.97882      9.94311        -0.335297      0.154292     -0.002919
      9.88840      1.41573      9.91628        -0.343172      0.198130     -0.001660
      8.64903      3.55500      9.93509        -0.335641      0.182562     -0.001192
      7.41431      5.69499      9.94442        -0.319711      0.151230      0.001796
      6.17780      7.83482      9.94455        -0.322555      0.171900     -0.000454
      4.93883      9.97443      9.91989        -0.347279      0.217595     -0.005401
 -----------------------------------------------------------------------------------
    total drift:                               -0.002076      0.000471     -0.006088


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


 Steepest descent step on ions:
 trial-energy change:    0.034383  1 .order    0.034429   -0.024088    0.092946
  (g-gl).g = 0.241E-01      g.g   = 0.241E-01  gl.gl    = 0.000E+00
 g(Force)  = 0.174E-01   g(Stress)= 0.672E-02 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.20582  (harmonic =   0.20582) maximal distance =0.00090119
 next E    =  -470.338762   (d E  =  -0.00248)


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


    WAVPRE:  VPU time    1.92: CPU time    1.93
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.33: CPU time    1.33
    ORTHCH:  VPU time  182.84: CPU time   91.65
     LOOP+:  VPU time11586.68: CPU time 5979.51


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


    POTLOK:  VPU time    9.18: CPU time    9.04
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1798.39: CPU time  929.68
 BZINTS: Fermi energy: -2.794190;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.63: CPU time   56.34
    MIXING:  VPU time    0.16: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1919.74: CPU time  995.60

 eigenvalue-minimisations  :  5952
 total energy-change (2. order) :-0.4703431E+03  (-0.2070071E+00)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1147989 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.48181E-01    rms(broyden)= 0.48154E-01
  rms(prec ) = 0.51564E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33938.19867291
  -1/2 Hartree   DENC   =    -40893.59682824
  -V(xc)+E(xc)   XCENC  =       726.67846591
  PAW double counting   =      4080.18612880    -4116.83434454
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2410.41504364
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.34309520 eV

  energy without entropy =     -470.34309520  energy(sigma->0) =     -470.34309520


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




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


    POTLOK:  VPU time    9.02: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1887.74: CPU time  973.34
 BZINTS: Fermi energy: -2.795416;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.66: CPU time   57.43
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2011.02: CPU time 1040.35

 eigenvalue-minimisations  :  6336
 total energy-change (2. order) : 0.8835702E-03  (-0.5764000E-02)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1152147 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.33899E-01    rms(broyden)= 0.33897E-01
  rms(prec ) = 0.36020E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3983
  2.3983

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33938.19867291
  -1/2 Hartree   DENC   =    -40893.74010711
  -V(xc)+E(xc)   XCENC  =       726.68012283
  PAW double counting   =      4080.28677466    -4116.94241108
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2410.26511744
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.34221163 eV

  energy without entropy =     -470.34221163  energy(sigma->0) =     -470.34221163


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




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


    POTLOK:  VPU time    9.11: CPU time    9.12
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1852.32: CPU time  954.44
 BZINTS: Fermi energy: -2.797731;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.55: CPU time   57.41
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 1975.60: CPU time 1021.52

 eigenvalue-minimisations  :  6160
 total energy-change (2. order) : 0.3446191E-02  (-0.1219518E-02)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1144408 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.53393E-02    rms(broyden)= 0.53366E-02
  rms(prec ) = 0.58006E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5705
  2.0089  1.1320

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33938.19867291
  -1/2 Hartree   DENC   =    -40894.05610044
  -V(xc)+E(xc)   XCENC  =       726.68903256
  PAW double counting   =      4080.62903292    -4117.29462198
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.94463500
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33876543 eV

  energy without entropy =     -470.33876543  energy(sigma->0) =     -470.33876543


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




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


    POTLOK:  VPU time    9.07: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1915.87: CPU time  987.23
 BZINTS: Fermi energy: -2.797808;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.14: CPU time   58.10
    MIXING:  VPU time    0.20: CPU time    0.20
    ------------------------------------------
      LOOP:  VPU time 2040.70: CPU time 1054.98

 eigenvalue-minimisations  :  6448
 total energy-change (2. order) :-0.3432232E-04  (-0.1866002E-03)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1148615 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.19548E-02    rms(broyden)= 0.19548E-02
  rms(prec ) = 0.20469E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6057
  2.1727  1.3222  1.3222

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33938.19867291
  -1/2 Hartree   DENC   =    -40894.02519109
  -V(xc)+E(xc)   XCENC  =       726.68731988
  PAW double counting   =      4080.51263526    -4117.17777872
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.97431161
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33879976 eV

  energy without entropy =     -470.33879976  energy(sigma->0) =     -470.33879976


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




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


    POTLOK:  VPU time    9.15: CPU time    9.15
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1399.15: CPU time  721.07
 BZINTS: Fermi energy: -2.799213;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1408.70: CPU time  730.60

 eigenvalue-minimisations  :  4136
 total energy-change (2. order) :-0.2151815E-05  (-0.3674438E-05)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1148615 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33938.19867291
  -1/2 Hartree   DENC   =    -40894.06737647
  -V(xc)+E(xc)   XCENC  =       726.68785427
  PAW double counting   =      4080.53301991    -4117.19861692
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.93220922
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33880191 eV

  energy without entropy =     -470.33880191  energy(sigma->0) =     -470.33880191


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




 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 -57.8124       2 -41.9909       3 -42.1053       4 -57.9937       5 -57.9900
       6 -57.9916       7 -57.9914       8 -57.9919       9 -57.9918      10 -57.9975
      11 -58.0257      12 -58.0086      13 -58.0009      14 -57.9914      15 -57.9982
      16 -58.1528      17 -58.5620      18 -58.0086      19 -57.9916      20 -57.9936
      21 -58.0091      22 -58.1528      23 -58.0257      24 -57.9900      25 -57.9863
      26 -57.9936      27 -57.9982      28 -57.9976      29 -57.9899      30 -57.9974
      31 -57.9981      32 -57.9935      33 -57.9862      34 -57.9915      35 -58.0256
      36 -58.1528      37 -58.0090      38 -57.9935      39 -57.9912      40 -58.0085
      41 -58.5619      42 -58.1528      43 -57.9981      44 -57.9917      45 -58.0008
      46 -58.0085      47 -58.0256      48 -57.9975      49 -57.9936      50 -57.9917
      51 -57.9913      52 -57.9916      53 -57.9899
 
 
 
 E-fermi :  -2.7992     XC(G=0):  -2.3550     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     -22.0794      1.00000
      2     -21.2448      1.00000
      3     -21.1355      1.00000
      4     -21.1243      1.00000
      5     -21.1174      1.00000
      6     -21.0994      1.00000
      7     -21.0976      1.00000
      8     -19.3816      1.00000
      9     -19.3008      1.00000
     10     -19.2943      1.00000
     11     -19.2908      1.00000
     12     -19.2687      1.00000
     13     -19.2673      1.00000
     14     -18.4734      1.00000
     15     -18.4100      1.00000
     16     -18.4082      1.00000
     17     -18.3833      1.00000
     18     -18.3774      1.00000
     19     -18.3678      1.00000
     20     -16.3406      1.00000
     21     -16.2576      1.00000
     22     -16.2532      1.00000
     23     -16.2473      1.00000
     24     -16.2285      1.00000
     25     -16.2254      1.00000
     26     -15.3083      1.00000
     27     -15.2666      1.00000
     28     -15.2405      1.00000
     29     -15.2323      1.00000
     30     -15.2241      1.00000
     31     -15.2171      1.00000
     32     -13.9627      1.00000
     33     -13.9249      1.00000
     34     -13.9042      1.00000
     35     -13.8941      1.00000
     36     -13.8916      1.00000
     37     -13.8750      1.00000
     38     -11.7470      1.00000
     39     -11.5655      1.00000
     40     -11.5308      1.00000
     41     -11.5255      1.00000
     42     -11.5214      1.00000
     43     -11.5203      1.00000
     44     -11.4379      1.00000
     45     -11.4364      1.00000
     46     -11.4080      1.00000
     47     -11.3960      1.00000
     48     -11.3883      1.00000
     49     -11.3875      1.00000
     50     -11.1324      1.00000
     51     -10.2575      1.00000
     52     -10.0692      1.00000
     53     -10.0623      1.00000
     54     -10.0415      1.00000
     55     -10.0388      1.00000
     56     -10.0238      1.00000
     57      -9.9992      1.00000
     58      -9.4116      1.00000
     59      -9.1391      1.00000
     60      -9.0977      1.00000
     61      -9.0552      1.00000
     62      -9.0384      1.00000
     63      -9.0349      1.00000
     64      -8.8454      1.00000
     65      -8.7899      1.00000
     66      -8.7853      1.00000
     67      -8.7683      1.00000
     68      -8.7542      1.00000
     69      -8.7427      1.00000
     70      -8.7343      1.00000
     71      -8.7300      1.00000
     72      -8.7282      1.00000
     73      -8.7072      1.00000
     74      -8.6954      1.00000
     75      -8.6900      1.00000
     76      -7.3984      1.00000
     77      -7.2362      1.00000
     78      -7.1863      1.00000
     79      -7.1600      1.00000
     80      -7.1028      1.00000
     81      -7.1026      1.00000
     82      -7.0808      1.00000
     83      -7.0793      1.00000
     84      -6.9415      1.00000
     85      -6.9285      1.00000
     86      -6.9241      1.00000
     87      -6.9158      1.00000
     88      -6.3288      1.00000
     89      -6.2906      1.00000
     90      -6.1003      1.00000
     91      -6.0706      1.00000
     92      -6.0307      1.00000
     93      -6.0295      1.00000
     94      -5.6433      1.00000
     95      -5.6209      1.00000
     96      -4.9885      1.00000
     97      -4.6205      1.00000
     98      -4.2697      1.00000
     99      -4.2543      1.00000
    100      -4.0695      1.00000
    101      -4.0642      1.00000
    102      -4.0202      1.00000
    103      -3.8792      1.00000
    104      -3.5673      1.00000
    105      -3.4686      1.00000
    106      -3.4313      1.00000
    107      -1.9002      0.00000
    108      -1.2873      0.00000
    109      -1.2647      0.00000
    110      -1.2609      0.00000
    111      -1.2531      0.00000
    112      -1.2166      0.00000
    113      -1.0445      0.00000
    114       0.3603      0.00000
    115       0.4553      0.00000
    116       0.5356      0.00000
    117       0.5755      0.00000
    118       0.5845      0.00000
    119       0.5864      0.00000
    120       0.7555      0.00000
    121       1.2480      0.00000
    122       1.3222      0.00000
    123       1.3281      0.00000
    124       1.6623      0.00000
    125       1.9254      0.00000
    126       1.9326      0.00000
    127       1.9474      0.00000
    128       2.0197      0.00000
    129       2.1704      0.00000
    130       2.2904      0.00000
    131       2.2937      0.00000
    132       2.2954      0.00000
    133       2.2979      0.00000
    134       2.3046      0.00000
    135       2.3395      0.00000
    136       2.4033      0.00000
    137       2.5160      0.00000
    138       2.6525      0.00000
    139       2.6652      0.00000
    140       2.7066      0.00000
    141       2.7701      0.00000
    142       2.8557      0.00000
    143       2.8693      0.00000
    144       3.0037      0.00000
    145       3.0085      0.00000
    146       3.0305      0.00000
    147       3.0398      0.00000
    148       3.2749      0.00000
    149       3.4663      0.00000
    150       3.5894      0.00000
    151       3.7513      0.00000
    152       3.7635      0.00000
    153       3.9057      0.00000
    154       3.9311      0.00000
    155       3.9471      0.00000
    156       3.9760      0.00000
    157       4.1757      0.00000
    158       4.1823      0.00000
    159       4.3187      0.00000
    160       4.3277      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0424      1.00000
      2     -21.4831      1.00000
      3     -21.3006      1.00000
      4     -21.2680      1.00000
      5     -20.9317      1.00000
      6     -20.8945      1.00000
      7     -20.7207      1.00000
      8     -19.8295      1.00000
      9     -19.7898      1.00000
     10     -19.2790      1.00000
     11     -19.2487      1.00000
     12     -19.0834      1.00000
     13     -18.7593      1.00000
     14     -18.7209      1.00000
     15     -18.7122      1.00000
     16     -18.6986      1.00000
     17     -18.0337      1.00000
     18     -18.0076      1.00000
     19     -17.6883      1.00000
     20     -16.7495      1.00000
     21     -16.6938      1.00000
     22     -16.6224      1.00000
     23     -16.6002      1.00000
     24     -16.1441      1.00000
     25     -16.1204      1.00000
     26     -15.2920      1.00000
     27     -15.2653      1.00000
     28     -14.9402      1.00000
     29     -14.9028      1.00000
     30     -14.8454      1.00000
     31     -14.7655      1.00000
     32     -14.7365      1.00000
     33     -14.3735      1.00000
     34     -14.3569      1.00000
     35     -13.4113      1.00000
     36     -13.3866      1.00000
     37     -12.9117      1.00000
     38     -12.3093      1.00000
     39     -12.2529      1.00000
     40     -12.1279      1.00000
     41     -12.1112      1.00000
     42     -11.8265      1.00000
     43     -11.7744      1.00000
     44     -11.4388      1.00000
     45     -11.3467      1.00000
     46     -11.2004      1.00000
     47     -10.9017      1.00000
     48     -10.8893      1.00000
     49     -10.6923      1.00000
     50     -10.6718      1.00000
     51     -10.5926      1.00000
     52     -10.5678      1.00000
     53     -10.1912      1.00000
     54      -9.8330      1.00000
     55      -9.8174      1.00000
     56      -9.7762      1.00000
     57      -9.5765      1.00000
     58      -9.3997      1.00000
     59      -9.3757      1.00000
     60      -9.3101      1.00000
     61      -9.2841      1.00000
     62      -9.2437      1.00000
     63      -9.2049      1.00000
     64      -8.9933      1.00000
     65      -8.9726      1.00000
     66      -8.9243      1.00000
     67      -8.8807      1.00000
     68      -8.8194      1.00000
     69      -8.7884      1.00000
     70      -8.7711      1.00000
     71      -8.6109      1.00000
     72      -8.5409      1.00000
     73      -8.2941      1.00000
     74      -8.2685      1.00000
     75      -7.7874      1.00000
     76      -7.7216      1.00000
     77      -7.5662      1.00000
     78      -7.5336      1.00000
     79      -7.4380      1.00000
     80      -7.4289      1.00000
     81      -7.0735      1.00000
     82      -7.0487      1.00000
     83      -7.0229      1.00000
     84      -6.9842      1.00000
     85      -6.7936      1.00000
     86      -6.6932      1.00000
     87      -6.5528      1.00000
     88      -6.4650      1.00000
     89      -6.3671      1.00000
     90      -6.3056      1.00000
     91      -5.8402      1.00000
     92      -5.8115      1.00000
     93      -5.8059      1.00000
     94      -5.6887      1.00000
     95      -5.4795      1.00000
     96      -5.0508      1.00000
     97      -4.7431      1.00000
     98      -4.4604      1.00000
     99      -4.3730      1.00000
    100      -4.2109      1.00000
    101      -4.1673      1.00000
    102      -4.0202      1.00000
    103      -3.8303      1.00000
    104      -3.5261      1.00000
    105      -3.4558      1.00000
    106      -3.4057      1.00000
    107      -1.9200      0.00000
    108      -1.4346      0.00000
    109      -1.3128      0.00000
    110      -1.0128      0.00000
    111      -0.9751      0.00000
    112      -0.9586      0.00000
    113      -0.9093      0.00000
    114      -0.3140      0.00000
    115       0.0569      0.00000
    116       0.1083      0.00000
    117       0.7564      0.00000
    118       0.8706      0.00000
    119       1.0149      0.00000
    120       1.0779      0.00000
    121       1.2820      0.00000
    122       1.3644      0.00000
    123       1.4264      0.00000
    124       1.4939      0.00000
    125       1.5597      0.00000
    126       1.6770      0.00000
    127       1.7657      0.00000
    128       1.9618      0.00000
    129       1.9814      0.00000
    130       2.1188      0.00000
    131       2.2011      0.00000
    132       2.2615      0.00000
    133       2.3301      0.00000
    134       2.3692      0.00000
    135       2.4175      0.00000
    136       2.5438      0.00000
    137       2.7208      0.00000
    138       2.7518      0.00000
    139       2.7697      0.00000
    140       2.8242      0.00000
    141       2.8842      0.00000
    142       3.0558      0.00000
    143       3.1154      0.00000
    144       3.1198      0.00000
    145       3.1570      0.00000
    146       3.1958      0.00000
    147       3.2534      0.00000
    148       3.4191      0.00000
    149       3.4769      0.00000
    150       3.4990      0.00000
    151       3.5957      0.00000
    152       3.6063      0.00000
    153       3.7904      0.00000
    154       3.8573      0.00000
    155       3.9264      0.00000
    156       4.0294      0.00000
    157       4.1226      0.00000
    158       4.1363      0.00000
    159       4.1985      0.00000
    160       4.2986      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9341      1.00000
      2     -21.7353      1.00000
      3     -21.3770      1.00000
      4     -21.3426      1.00000
      5     -20.6385      1.00000
      6     -20.5984      1.00000
      7     -20.2757      1.00000
      8     -20.2367      1.00000
      9     -20.2261      1.00000
     10     -19.6960      1.00000
     11     -19.1752      1.00000
     12     -19.1417      1.00000
     13     -18.9758      1.00000
     14     -18.9567      1.00000
     15     -18.1175      1.00000
     16     -18.0737      1.00000
     17     -17.6009      1.00000
     18     -17.5693      1.00000
     19     -17.4298      1.00000
     20     -17.3897      1.00000
     21     -17.1133      1.00000
     22     -17.0868      1.00000
     23     -17.0131      1.00000
     24     -16.1383      1.00000
     25     -16.1177      1.00000
     26     -15.6267      1.00000
     27     -15.0922      1.00000
     28     -15.0677      1.00000
     29     -14.7743      1.00000
     30     -14.7530      1.00000
     31     -14.5445      1.00000
     32     -14.5120      1.00000
     33     -13.9628      1.00000
     34     -13.9247      1.00000
     35     -13.1202      1.00000
     36     -13.0724      1.00000
     37     -12.8678      1.00000
     38     -12.8381      1.00000
     39     -12.6460      1.00000
     40     -12.6322      1.00000
     41     -12.3095      1.00000
     42     -12.2760      1.00000
     43     -11.8826      1.00000
     44     -11.3696      1.00000
     45     -11.2034      1.00000
     46     -11.1509      1.00000
     47     -10.9572      1.00000
     48     -10.9480      1.00000
     49     -10.8139      1.00000
     50     -10.3466      1.00000
     51     -10.3351      1.00000
     52     -10.0955      1.00000
     53      -9.9968      1.00000
     54      -9.9812      1.00000
     55      -9.8418      1.00000
     56      -9.7883      1.00000
     57      -9.7788      1.00000
     58      -9.4634      1.00000
     59      -9.4516      1.00000
     60      -9.3991      1.00000
     61      -9.3689      1.00000
     62      -9.3589      1.00000
     63      -9.3230      1.00000
     64      -9.0383      1.00000
     65      -9.0201      1.00000
     66      -8.9831      1.00000
     67      -8.7021      1.00000
     68      -8.6398      1.00000
     69      -8.5439      1.00000
     70      -8.4774      1.00000
     71      -8.2708      1.00000
     72      -8.1898      1.00000
     73      -8.0717      1.00000
     74      -8.0568      1.00000
     75      -8.0119      1.00000
     76      -7.9574      1.00000
     77      -7.9366      1.00000
     78      -7.9236      1.00000
     79      -7.9018      1.00000
     80      -7.4701      1.00000
     81      -7.0747      1.00000
     82      -7.0305      1.00000
     83      -7.0207      1.00000
     84      -6.9195      1.00000
     85      -6.8993      1.00000
     86      -6.6623      1.00000
     87      -6.6550      1.00000
     88      -6.3026      1.00000
     89      -6.2452      1.00000
     90      -5.9740      1.00000
     91      -5.9097      1.00000
     92      -5.7359      1.00000
     93      -5.5219      1.00000
     94      -5.3952      1.00000
     95      -5.2328      1.00000
     96      -5.0659      1.00000
     97      -5.0043      1.00000
     98      -4.9037      1.00000
     99      -4.9003      1.00000
    100      -4.3207      1.00000
    101      -4.1638      1.00000
    102      -4.0619      1.00000
    103      -3.7737      1.00000
    104      -3.5623      1.00000
    105      -3.3585      1.00000
    106      -3.3481      1.00000
    107      -1.9444      0.00000
    108      -1.5320      0.00000
    109      -1.3405      0.00000
    110      -0.8317      0.00000
    111      -0.7079      0.00000
    112      -0.6588      0.00000
    113      -0.3492      0.00000
    114      -0.3132      0.00000
    115      -0.3000      0.00000
    116      -0.2837      0.00000
    117       0.4520      0.00000
    118       0.5381      0.00000
    119       0.8192      0.00000
    120       1.0758      0.00000
    121       1.1320      0.00000
    122       1.4143      0.00000
    123       1.5031      0.00000
    124       1.5558      0.00000
    125       1.6042      0.00000
    126       1.7047      0.00000
    127       1.8658      0.00000
    128       1.8959      0.00000
    129       1.9469      0.00000
    130       2.0569      0.00000
    131       2.0959      0.00000
    132       2.1939      0.00000
    133       2.3552      0.00000
    134       2.5194      0.00000
    135       2.6318      0.00000
    136       2.6561      0.00000
    137       2.7127      0.00000
    138       2.7591      0.00000
    139       2.8988      0.00000
    140       2.9650      0.00000
    141       3.0281      0.00000
    142       3.1985      0.00000
    143       3.2226      0.00000
    144       3.2526      0.00000
    145       3.3722      0.00000
    146       3.4110      0.00000
    147       3.4709      0.00000
    148       3.5355      0.00000
    149       3.6148      0.00000
    150       3.6494      0.00000
    151       3.6794      0.00000
    152       3.7142      0.00000
    153       3.8250      0.00000
    154       3.8968      0.00000
    155       3.9218      0.00000
    156       3.9333      0.00000
    157       3.9904      0.00000
    158       4.0235      0.00000
    159       4.0970      0.00000
    160       4.1153      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9694      1.00000
      2     -21.6104      1.00000
      3     -21.5618      1.00000
      4     -21.0365      1.00000
      5     -21.0131      1.00000
      6     -20.4922      1.00000
      7     -20.4448      1.00000
      8     -20.2855      1.00000
      9     -19.7345      1.00000
     10     -19.7327      1.00000
     11     -19.3795      1.00000
     12     -19.3580      1.00000
     13     -18.6575      1.00000
     14     -18.6537      1.00000
     15     -18.3005      1.00000
     16     -18.2897      1.00000
     17     -18.1277      1.00000
     18     -17.3570      1.00000
     19     -17.2953      1.00000
     20     -17.2830      1.00000
     21     -17.2570      1.00000
     22     -16.7866      1.00000
     23     -16.7728      1.00000
     24     -16.6225      1.00000
     25     -15.6597      1.00000
     26     -15.6055      1.00000
     27     -15.2535      1.00000
     28     -15.2432      1.00000
     29     -14.9738      1.00000
     30     -14.5290      1.00000
     31     -14.4992      1.00000
     32     -14.2557      1.00000
     33     -14.2162      1.00000
     34     -13.8348      1.00000
     35     -13.8278      1.00000
     36     -12.8122      1.00000
     37     -12.7614      1.00000
     38     -12.7218      1.00000
     39     -12.6977      1.00000
     40     -12.3913      1.00000
     41     -12.3827      1.00000
     42     -12.0042      1.00000
     43     -11.9781      1.00000
     44     -11.4405      1.00000
     45     -11.3009      1.00000
     46     -11.2412      1.00000
     47     -11.1221      1.00000
     48     -10.6031      1.00000
     49     -10.5883      1.00000
     50     -10.3065      1.00000
     51     -10.2940      1.00000
     52     -10.1682      1.00000
     53     -10.1669      1.00000
     54     -10.1136      1.00000
     55     -10.1008      1.00000
     56     -10.0293      1.00000
     57      -9.7106      1.00000
     58      -9.5823      1.00000
     59      -9.2925      1.00000
     60      -9.2363      1.00000
     61      -9.1509      1.00000
     62      -9.0785      1.00000
     63      -9.0693      1.00000
     64      -9.0520      1.00000
     65      -8.9987      1.00000
     66      -8.9678      1.00000
     67      -8.8577      1.00000
     68      -8.8228      1.00000
     69      -8.7807      1.00000
     70      -8.5316      1.00000
     71      -8.5246      1.00000
     72      -8.3978      1.00000
     73      -8.2810      1.00000
     74      -8.1271      1.00000
     75      -7.8803      1.00000
     76      -7.8419      1.00000
     77      -7.6013      1.00000
     78      -7.5398      1.00000
     79      -7.5097      1.00000
     80      -7.4989      1.00000
     81      -7.3885      1.00000
     82      -7.3788      1.00000
     83      -7.1332      1.00000
     84      -7.0774      1.00000
     85      -6.6047      1.00000
     86      -6.5786      1.00000
     87      -6.4824      1.00000
     88      -6.3515      1.00000
     89      -6.1171      1.00000
     90      -6.0543      1.00000
     91      -5.9775      1.00000
     92      -5.8938      1.00000
     93      -5.7331      1.00000
     94      -5.3420      1.00000
     95      -5.1676      1.00000
     96      -5.1268      1.00000
     97      -5.0566      1.00000
     98      -4.9045      1.00000
     99      -4.4502      1.00000
    100      -4.3964      1.00000
    101      -4.1621      1.00000
    102      -4.0377      1.00000
    103      -3.9406      1.00000
    104      -3.5556      1.00000
    105      -3.4910      1.00000
    106      -3.0574      1.00000
    107      -2.1248      0.00000
    108      -1.6017      0.00000
    109      -0.9376      0.00000
    110      -0.9080      0.00000
    111      -0.8419      0.00000
    112      -0.6384      0.00000
    113      -0.6296      0.00000
    114      -0.4970      0.00000
    115      -0.4847      0.00000
    116       0.4916      0.00000
    117       0.4959      0.00000
    118       0.5885      0.00000
    119       0.7883      0.00000
    120       1.0263      0.00000
    121       1.0807      0.00000
    122       1.2902      0.00000
    123       1.2997      0.00000
    124       1.4731      0.00000
    125       1.6324      0.00000
    126       1.7123      0.00000
    127       1.8425      0.00000
    128       2.0137      0.00000
    129       2.0530      0.00000
    130       2.0890      0.00000
    131       2.1678      0.00000
    132       2.3072      0.00000
    133       2.3587      0.00000
    134       2.4539      0.00000
    135       2.5436      0.00000
    136       2.7456      0.00000
    137       2.7987      0.00000
    138       2.8388      0.00000
    139       2.8845      0.00000
    140       2.9066      0.00000
    141       3.0575      0.00000
    142       3.0607      0.00000
    143       3.1325      0.00000
    144       3.1679      0.00000
    145       3.2579      0.00000
    146       3.3005      0.00000
    147       3.3688      0.00000
    148       3.4804      0.00000
    149       3.5771      0.00000
    150       3.6011      0.00000
    151       3.6785      0.00000
    152       3.6994      0.00000
    153       3.8041      0.00000
    154       3.9000      0.00000
    155       3.9643      0.00000
    156       3.9849      0.00000
    157       4.0016      0.00000
    158       4.1034      0.00000
    159       4.1669      0.00000
    160       4.1697      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8535      1.00000
      2     -21.7809      1.00000
      3     -21.6180      1.00000
      4     -21.0631      1.00000
      5     -20.7120      1.00000
      6     -20.6704      1.00000
      7     -20.1637      1.00000
      8     -20.1174      1.00000
      9     -19.9638      1.00000
     10     -19.9339      1.00000
     11     -19.6144      1.00000
     12     -19.5564      1.00000
     13     -18.5428      1.00000
     14     -18.4790      1.00000
     15     -18.0289      1.00000
     16     -17.9639      1.00000
     17     -17.8255      1.00000
     18     -17.7950      1.00000
     19     -17.5002      1.00000
     20     -17.4488      1.00000
     21     -16.9334      1.00000
     22     -16.8984      1.00000
     23     -16.8406      1.00000
     24     -16.7965      1.00000
     25     -15.7664      1.00000
     26     -15.5623      1.00000
     27     -15.5300      1.00000
     28     -15.4953      1.00000
     29     -14.9174      1.00000
     30     -14.2348      1.00000
     31     -14.1898      1.00000
     32     -13.9614      1.00000
     33     -13.6388      1.00000
     34     -13.6265      1.00000
     35     -13.5007      1.00000
     36     -13.4716      1.00000
     37     -13.2965      1.00000
     38     -13.2347      1.00000
     39     -13.0287      1.00000
     40     -12.2932      1.00000
     41     -11.8995      1.00000
     42     -11.8018      1.00000
     43     -11.7509      1.00000
     44     -11.6867      1.00000
     45     -11.3994      1.00000
     46     -11.3292      1.00000
     47     -11.1836      1.00000
     48     -10.8038      1.00000
     49     -10.7862      1.00000
     50     -10.4556      1.00000
     51     -10.3992      1.00000
     52     -10.0301      1.00000
     53      -9.8981      1.00000
     54      -9.8725      1.00000
     55      -9.8367      1.00000
     56      -9.6953      1.00000
     57      -9.6815      1.00000
     58      -9.6476      1.00000
     59      -9.4809      1.00000
     60      -9.4749      1.00000
     61      -9.4411      1.00000
     62      -9.4319      1.00000
     63      -9.1250      1.00000
     64      -9.0359      1.00000
     65      -8.7653      1.00000
     66      -8.7482      1.00000
     67      -8.7018      1.00000
     68      -8.6004      1.00000
     69      -8.5438      1.00000
     70      -8.3988      1.00000
     71      -8.3729      1.00000
     72      -8.2504      1.00000
     73      -8.2101      1.00000
     74      -8.1578      1.00000
     75      -8.1356      1.00000
     76      -8.0405      1.00000
     77      -7.9104      1.00000
     78      -7.7681      1.00000
     79      -7.7054      1.00000
     80      -7.5862      1.00000
     81      -7.4405      1.00000
     82      -7.2883      1.00000
     83      -7.2086      1.00000
     84      -6.7003      1.00000
     85      -6.6133      1.00000
     86      -6.5594      1.00000
     87      -6.4524      1.00000
     88      -6.2410      1.00000
     89      -6.1632      1.00000
     90      -6.1009      1.00000
     91      -5.9061      1.00000
     92      -5.6752      1.00000
     93      -5.5117      1.00000
     94      -5.4722      1.00000
     95      -5.2749      1.00000
     96      -5.1188      1.00000
     97      -4.9399      1.00000
     98      -4.9064      1.00000
     99      -4.9024      1.00000
    100      -4.4887      1.00000
    101      -4.1624      1.00000
    102      -4.0477      1.00000
    103      -3.9275      1.00000
    104      -3.5737      1.00000
    105      -3.5165      1.00000
    106      -2.8574      1.00000
    107      -2.2512      0.00000
    108      -1.6802      0.00000
    109      -0.9118      0.00000
    110      -0.8645      0.00000
    111      -0.8622      0.00000
    112      -0.7810      0.00000
    113      -0.1999      0.00000
    114      -0.1669      0.00000
    115      -0.0203      0.00000
    116       0.0054      0.00000
    117       0.2417      0.00000
    118       0.3227      0.00000
    119       0.7688      0.00000
    120       0.8557      0.00000
    121       0.9377      0.00000
    122       1.0558      0.00000
    123       1.2814      0.00000
    124       1.5134      0.00000
    125       1.5871      0.00000
    126       1.6738      0.00000
    127       1.9542      0.00000
    128       2.0329      0.00000
    129       2.0687      0.00000
    130       2.1299      0.00000
    131       2.3069      0.00000
    132       2.3716      0.00000
    133       2.4832      0.00000
    134       2.5810      0.00000
    135       2.6690      0.00000
    136       2.7580      0.00000
    137       2.9317      0.00000
    138       2.9907      0.00000
    139       3.0309      0.00000
    140       3.0597      0.00000
    141       3.1444      0.00000
    142       3.1633      0.00000
    143       3.1795      0.00000
    144       3.2175      0.00000
    145       3.3321      0.00000
    146       3.3942      0.00000
    147       3.4452      0.00000
    148       3.4676      0.00000
    149       3.4950      0.00000
    150       3.5497      0.00000
    151       3.5833      0.00000
    152       3.6006      0.00000
    153       3.6343      0.00000
    154       3.6946      0.00000
    155       3.7844      0.00000
    156       3.8916      0.00000
    157       3.9439      0.00000
    158       4.0422      0.00000
    159       4.1875      0.00000
    160       4.2048      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9688      1.00000
      2     -21.6168      1.00000
      3     -21.5555      1.00000
      4     -21.0463      1.00000
      5     -21.0047      1.00000
      6     -20.4968      1.00000
      7     -20.4375      1.00000
      8     -20.2828      1.00000
      9     -19.7572      1.00000
     10     -19.7164      1.00000
     11     -19.3853      1.00000
     12     -19.3482      1.00000
     13     -18.6795      1.00000
     14     -18.6355      1.00000
     15     -18.3231      1.00000
     16     -18.2770      1.00000
     17     -18.1230      1.00000
     18     -17.3431      1.00000
     19     -17.2961      1.00000
     20     -17.2720      1.00000
     21     -17.2449      1.00000
     22     -16.8146      1.00000
     23     -16.7579      1.00000
     24     -16.6431      1.00000
     25     -15.6901      1.00000
     26     -15.5795      1.00000
     27     -15.2727      1.00000
     28     -15.2347      1.00000
     29     -14.9411      1.00000
     30     -14.5600      1.00000
     31     -14.4930      1.00000
     32     -14.2458      1.00000
     33     -14.2040      1.00000
     34     -13.8391      1.00000
     35     -13.8269      1.00000
     36     -12.8647      1.00000
     37     -12.7583      1.00000
     38     -12.6960      1.00000
     39     -12.6830      1.00000
     40     -12.4075      1.00000
     41     -12.3595      1.00000
     42     -12.0064      1.00000
     43     -11.9886      1.00000
     44     -11.3793      1.00000
     45     -11.2948      1.00000
     46     -11.2348      1.00000
     47     -11.1805      1.00000
     48     -10.6098      1.00000
     49     -10.5889      1.00000
     50     -10.3395      1.00000
     51     -10.2630      1.00000
     52     -10.2137      1.00000
     53     -10.1725      1.00000
     54     -10.1270      1.00000
     55     -10.0732      1.00000
     56     -10.0185      1.00000
     57      -9.7125      1.00000
     58      -9.5772      1.00000
     59      -9.2858      1.00000
     60      -9.2196      1.00000
     61      -9.1287      1.00000
     62      -9.1060      1.00000
     63      -9.0708      1.00000
     64      -9.0408      1.00000
     65      -9.0048      1.00000
     66      -8.9549      1.00000
     67      -8.8446      1.00000
     68      -8.8024      1.00000
     69      -8.7824      1.00000
     70      -8.5454      1.00000
     71      -8.5344      1.00000
     72      -8.4107      1.00000
     73      -8.2696      1.00000
     74      -8.1546      1.00000
     75      -7.8785      1.00000
     76      -7.8479      1.00000
     77      -7.6330      1.00000
     78      -7.5394      1.00000
     79      -7.5002      1.00000
     80      -7.4522      1.00000
     81      -7.3934      1.00000
     82      -7.3601      1.00000
     83      -7.1621      1.00000
     84      -7.0497      1.00000
     85      -6.6249      1.00000
     86      -6.5926      1.00000
     87      -6.4926      1.00000
     88      -6.3069      1.00000
     89      -6.0945      1.00000
     90      -6.0455      1.00000
     91      -5.9826      1.00000
     92      -5.8779      1.00000
     93      -5.7961      1.00000
     94      -5.4809      1.00000
     95      -5.2697      1.00000
     96      -5.0620      1.00000
     97      -4.9032      1.00000
     98      -4.7707      1.00000
     99      -4.5159      1.00000
    100      -4.4365      1.00000
    101      -4.1756      1.00000
    102      -4.0061      1.00000
    103      -3.8638      1.00000
    104      -3.5974      1.00000
    105      -3.5228      1.00000
    106      -3.1693      1.00000
    107      -1.9277      0.00000
    108      -1.6944      0.00000
    109      -0.9880      0.00000
    110      -0.8964      0.00000
    111      -0.8723      0.00000
    112      -0.6357      0.00000
    113      -0.5777      0.00000
    114      -0.4944      0.00000
    115      -0.4642      0.00000
    116       0.3722      0.00000
    117       0.5289      0.00000
    118       0.5758      0.00000
    119       0.8106      0.00000
    120       1.0899      0.00000
    121       1.0968      0.00000
    122       1.2251      0.00000
    123       1.3534      0.00000
    124       1.4673      0.00000
    125       1.5965      0.00000
    126       1.7364      0.00000
    127       1.8374      0.00000
    128       2.0007      0.00000
    129       2.0640      0.00000
    130       2.0946      0.00000
    131       2.1594      0.00000
    132       2.3484      0.00000
    133       2.3721      0.00000
    134       2.4573      0.00000
    135       2.5019      0.00000
    136       2.7455      0.00000
    137       2.8015      0.00000
    138       2.8408      0.00000
    139       2.8758      0.00000
    140       2.9139      0.00000
    141       3.0377      0.00000
    142       3.0548      0.00000
    143       3.1320      0.00000
    144       3.1733      0.00000
    145       3.2679      0.00000
    146       3.3077      0.00000
    147       3.3779      0.00000
    148       3.4771      0.00000
    149       3.5691      0.00000
    150       3.6104      0.00000
    151       3.6841      0.00000
    152       3.6950      0.00000
    153       3.7961      0.00000
    154       3.9084      0.00000
    155       3.9337      0.00000
    156       3.9933      0.00000
    157       4.0058      0.00000
    158       4.1147      0.00000
    159       4.1355      0.00000
    160       4.1612      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0422      1.00000
      2     -21.4844      1.00000
      3     -21.2969      1.00000
      4     -21.2704      1.00000
      5     -20.9317      1.00000
      6     -20.8972      1.00000
      7     -20.7174      1.00000
      8     -19.8272      1.00000
      9     -19.7905      1.00000
     10     -19.2827      1.00000
     11     -19.2545      1.00000
     12     -19.0747      1.00000
     13     -18.7661      1.00000
     14     -18.7249      1.00000
     15     -18.7067      1.00000
     16     -18.6961      1.00000
     17     -18.0350      1.00000
     18     -18.0134      1.00000
     19     -17.6760      1.00000
     20     -16.7354      1.00000
     21     -16.6889      1.00000
     22     -16.6240      1.00000
     23     -16.6069      1.00000
     24     -16.1637      1.00000
     25     -16.1313      1.00000
     26     -15.2816      1.00000
     27     -15.2638      1.00000
     28     -14.9056      1.00000
     29     -14.8968      1.00000
     30     -14.8709      1.00000
     31     -14.7768      1.00000
     32     -14.7320      1.00000
     33     -14.3765      1.00000
     34     -14.3578      1.00000
     35     -13.4105      1.00000
     36     -13.3849      1.00000
     37     -12.9090      1.00000
     38     -12.3477      1.00000
     39     -12.2465      1.00000
     40     -12.1251      1.00000
     41     -12.1116      1.00000
     42     -11.7816      1.00000
     43     -11.7644      1.00000
     44     -11.3972      1.00000
     45     -11.3671      1.00000
     46     -11.2624      1.00000
     47     -10.9024      1.00000
     48     -10.8970      1.00000
     49     -10.6729      1.00000
     50     -10.6702      1.00000
     51     -10.6016      1.00000
     52     -10.5606      1.00000
     53     -10.1994      1.00000
     54      -9.8732      1.00000
     55      -9.8185      1.00000
     56      -9.7548      1.00000
     57      -9.5678      1.00000
     58      -9.3672      1.00000
     59      -9.3560      1.00000
     60      -9.3252      1.00000
     61      -9.3017      1.00000
     62      -9.2381      1.00000
     63      -9.2003      1.00000
     64      -8.9914      1.00000
     65      -8.9657      1.00000
     66      -8.9284      1.00000
     67      -8.9066      1.00000
     68      -8.8007      1.00000
     69      -8.7855      1.00000
     70      -8.7752      1.00000
     71      -8.6115      1.00000
     72      -8.5523      1.00000
     73      -8.2757      1.00000
     74      -8.2682      1.00000
     75      -7.8130      1.00000
     76      -7.7238      1.00000
     77      -7.5809      1.00000
     78      -7.5020      1.00000
     79      -7.4563      1.00000
     80      -7.4166      1.00000
     81      -7.1395      1.00000
     82      -6.9871      1.00000
     83      -6.9673      1.00000
     84      -6.9409      1.00000
     85      -6.8818      1.00000
     86      -6.6878      1.00000
     87      -6.5608      1.00000
     88      -6.4411      1.00000
     89      -6.3921      1.00000
     90      -6.3064      1.00000
     91      -5.8636      1.00000
     92      -5.7880      1.00000
     93      -5.7732      1.00000
     94      -5.6586      1.00000
     95      -5.5957      1.00000
     96      -5.0449      1.00000
     97      -4.6212      1.00000
     98      -4.5256      1.00000
     99      -4.3626      1.00000
    100      -4.2413      1.00000
    101      -4.1840      1.00000
    102      -3.8343      1.00000
    103      -3.8033      1.00000
    104      -3.7315      1.00000
    105      -3.4541      1.00000
    106      -3.4238      1.00000
    107      -1.8114      0.00000
    108      -1.4350      0.00000
    109      -1.3858      0.00000
    110      -1.0279      0.00000
    111      -1.0036      0.00000
    112      -0.9766      0.00000
    113      -0.8541      0.00000
    114      -0.2638      0.00000
    115       0.0402      0.00000
    116       0.0702      0.00000
    117       0.7398      0.00000
    118       0.9060      0.00000
    119       0.9307      0.00000
    120       1.2024      0.00000
    121       1.2627      0.00000
    122       1.3526      0.00000
    123       1.4317      0.00000
    124       1.4724      0.00000
    125       1.5491      0.00000
    126       1.6844      0.00000
    127       1.7660      0.00000
    128       1.9567      0.00000
    129       1.9749      0.00000
    130       2.1651      0.00000
    131       2.1988      0.00000
    132       2.2321      0.00000
    133       2.3282      0.00000
    134       2.3828      0.00000
    135       2.4195      0.00000
    136       2.5481      0.00000
    137       2.7186      0.00000
    138       2.7479      0.00000
    139       2.7779      0.00000
    140       2.8064      0.00000
    141       2.8742      0.00000
    142       3.0453      0.00000
    143       3.1297      0.00000
    144       3.1457      0.00000
    145       3.1704      0.00000
    146       3.2215      0.00000
    147       3.2338      0.00000
    148       3.4188      0.00000
    149       3.4200      0.00000
    150       3.5066      0.00000
    151       3.6043      0.00000
    152       3.6076      0.00000
    153       3.7848      0.00000
    154       3.8528      0.00000
    155       3.9211      0.00000
    156       3.9978      0.00000
    157       4.1338      0.00000
    158       4.1544      0.00000
    159       4.2031      0.00000
    160       4.3494      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8492      1.00000
      2     -21.7868      1.00000
      3     -21.6164      1.00000
      4     -21.0646      1.00000
      5     -20.7019      1.00000
      6     -20.6793      1.00000
      7     -20.1538      1.00000
      8     -20.1282      1.00000
      9     -19.9468      1.00000
     10     -19.9463      1.00000
     11     -19.6096      1.00000
     12     -19.5652      1.00000
     13     -18.5458      1.00000
     14     -18.4895      1.00000
     15     -17.9947      1.00000
     16     -17.9803      1.00000
     17     -17.8154      1.00000
     18     -17.8095      1.00000
     19     -17.4764      1.00000
     20     -17.4622      1.00000
     21     -16.9376      1.00000
     22     -16.9097      1.00000
     23     -16.8183      1.00000
     24     -16.8068      1.00000
     25     -15.7923      1.00000
     26     -15.5362      1.00000
     27     -15.5339      1.00000
     28     -15.5196      1.00000
     29     -14.8904      1.00000
     30     -14.2260      1.00000
     31     -14.2056      1.00000
     32     -13.9367      1.00000
     33     -13.6672      1.00000
     34     -13.6255      1.00000
     35     -13.4958      1.00000
     36     -13.4813      1.00000
     37     -13.2731      1.00000
     38     -13.2457      1.00000
     39     -13.0314      1.00000
     40     -12.3165      1.00000
     41     -11.8429      1.00000
     42     -11.8295      1.00000
     43     -11.7257      1.00000
     44     -11.6911      1.00000
     45     -11.4115      1.00000
     46     -11.3378      1.00000
     47     -11.1723      1.00000
     48     -10.8094      1.00000
     49     -10.7999      1.00000
     50     -10.4647      1.00000
     51     -10.4101      1.00000
     52     -10.0392      1.00000
     53      -9.8764      1.00000
     54      -9.8662      1.00000
     55      -9.8499      1.00000
     56      -9.7006      1.00000
     57      -9.6612      1.00000
     58      -9.6471      1.00000
     59      -9.4938      1.00000
     60      -9.4633      1.00000
     61      -9.4461      1.00000
     62      -9.4322      1.00000
     63      -9.1382      1.00000
     64      -9.0339      1.00000
     65      -8.7648      1.00000
     66      -8.7287      1.00000
     67      -8.6753      1.00000
     68      -8.6305      1.00000
     69      -8.5364      1.00000
     70      -8.3784      1.00000
     71      -8.3695      1.00000
     72      -8.2488      1.00000
     73      -8.2287      1.00000
     74      -8.1344      1.00000
     75      -8.1339      1.00000
     76      -8.0098      1.00000
     77      -7.9750      1.00000
     78      -7.7669      1.00000
     79      -7.7287      1.00000
     80      -7.6226      1.00000
     81      -7.3743      1.00000
     82      -7.2966      1.00000
     83      -7.1903      1.00000
     84      -6.7362      1.00000
     85      -6.6283      1.00000
     86      -6.5579      1.00000
     87      -6.3108      1.00000
     88      -6.2345      1.00000
     89      -6.1687      1.00000
     90      -6.1409      1.00000
     91      -6.0590      1.00000
     92      -5.6740      1.00000
     93      -5.4874      1.00000
     94      -5.4524      1.00000
     95      -5.2992      1.00000
     96      -5.0925      1.00000
     97      -4.9175      1.00000
     98      -4.9107      1.00000
     99      -4.8779      1.00000
    100      -4.4616      1.00000
    101      -4.1519      1.00000
    102      -4.0236      1.00000
    103      -3.9556      1.00000
    104      -3.5866      1.00000
    105      -3.5347      1.00000
    106      -2.9616      1.00000
    107      -2.1037      0.00000
    108      -1.7299      0.00000
    109      -0.8669      0.00000
    110      -0.8656      0.00000
    111      -0.8582      0.00000
    112      -0.8296      0.00000
    113      -0.1874      0.00000
    114      -0.1720      0.00000
    115      -0.0418      0.00000
    116      -0.0185      0.00000
    117       0.2972      0.00000
    118       0.3041      0.00000
    119       0.7473      0.00000
    120       0.8477      0.00000
    121       0.9881      0.00000
    122       1.0282      0.00000
    123       1.2424      0.00000
    124       1.5658      0.00000
    125       1.5757      0.00000
    126       1.6520      0.00000
    127       1.9621      0.00000
    128       2.0408      0.00000
    129       2.0606      0.00000
    130       2.1411      0.00000
    131       2.3067      0.00000
    132       2.3725      0.00000
    133       2.5380      0.00000
    134       2.5525      0.00000
    135       2.6519      0.00000
    136       2.8257      0.00000
    137       2.9215      0.00000
    138       2.9573      0.00000
    139       3.0256      0.00000
    140       3.0585      0.00000
    141       3.1259      0.00000
    142       3.1638      0.00000
    143       3.1999      0.00000
    144       3.2135      0.00000
    145       3.3335      0.00000
    146       3.3842      0.00000
    147       3.4323      0.00000
    148       3.4725      0.00000
    149       3.5044      0.00000
    150       3.5495      0.00000
    151       3.5607      0.00000
    152       3.5871      0.00000
    153       3.6310      0.00000
    154       3.6771      0.00000
    155       3.8014      0.00000
    156       3.9117      0.00000
    157       3.9459      0.00000
    158       4.0387      0.00000
    159       4.1739      0.00000
    160       4.1953      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9327      1.00000
      2     -21.7375      1.00000
      3     -21.3743      1.00000
      4     -21.3453      1.00000
      5     -20.6368      1.00000
      6     -20.6002      1.00000
      7     -20.2664      1.00000
      8     -20.2380      1.00000
      9     -20.2306      1.00000
     10     -19.6932      1.00000
     11     -19.1751      1.00000
     12     -19.1463      1.00000
     13     -18.9797      1.00000
     14     -18.9647      1.00000
     15     -18.1064      1.00000
     16     -18.0717      1.00000
     17     -17.5999      1.00000
     18     -17.5754      1.00000
     19     -17.4221      1.00000
     20     -17.3853      1.00000
     21     -17.1136      1.00000
     22     -17.0914      1.00000
     23     -16.9973      1.00000
     24     -16.1628      1.00000
     25     -16.1271      1.00000
     26     -15.6379      1.00000
     27     -15.0855      1.00000
     28     -15.0669      1.00000
     29     -14.7745      1.00000
     30     -14.7525      1.00000
     31     -14.5105      1.00000
     32     -14.5031      1.00000
     33     -13.9868      1.00000
     34     -13.9184      1.00000
     35     -13.1456      1.00000
     36     -13.0654      1.00000
     37     -12.8590      1.00000
     38     -12.8347      1.00000
     39     -12.6597      1.00000
     40     -12.6375      1.00000
     41     -12.2933      1.00000
     42     -12.2709      1.00000
     43     -11.8780      1.00000
     44     -11.2727      1.00000
     45     -11.2557      1.00000
     46     -11.1848      1.00000
     47     -10.9876      1.00000
     48     -10.9453      1.00000
     49     -10.8037      1.00000
     50     -10.3799      1.00000
     51     -10.3386      1.00000
     52     -10.0939      1.00000
     53      -9.9809      1.00000
     54      -9.9801      1.00000
     55      -9.8575      1.00000
     56      -9.7999      1.00000
     57      -9.7657      1.00000
     58      -9.4795      1.00000
     59      -9.4175      1.00000
     60      -9.3878      1.00000
     61      -9.3720      1.00000
     62      -9.3649      1.00000
     63      -9.3204      1.00000
     64      -9.0329      1.00000
     65      -9.0178      1.00000
     66      -8.9983      1.00000
     67      -8.6533      1.00000
     68      -8.6321      1.00000
     69      -8.5795      1.00000
     70      -8.4583      1.00000
     71      -8.2710      1.00000
     72      -8.1975      1.00000
     73      -8.0966      1.00000
     74      -8.0610      1.00000
     75      -7.9702      1.00000
     76      -7.9669      1.00000
     77      -7.9341      1.00000
     78      -7.9164      1.00000
     79      -7.9073      1.00000
     80      -7.4889      1.00000
     81      -7.2142      1.00000
     82      -7.0203      1.00000
     83      -6.9371      1.00000
     84      -6.8727      1.00000
     85      -6.8244      1.00000
     86      -6.6754      1.00000
     87      -6.6355      1.00000
     88      -6.2956      1.00000
     89      -6.2573      1.00000
     90      -6.1419      1.00000
     91      -5.9555      1.00000
     92      -5.6312      1.00000
     93      -5.5177      1.00000
     94      -5.3931      1.00000
     95      -5.3198      1.00000
     96      -5.0064      1.00000
     97      -4.9727      1.00000
     98      -4.9070      1.00000
     99      -4.8801      1.00000
    100      -4.2476      1.00000
    101      -4.1680      1.00000
    102      -3.9707      1.00000
    103      -3.7959      1.00000
    104      -3.6130      1.00000
    105      -3.5058      1.00000
    106      -3.3614      1.00000
    107      -1.7465      0.00000
    108      -1.5212      0.00000
    109      -1.4818      0.00000
    110      -0.7622      0.00000
    111      -0.7166      0.00000
    112      -0.7014      0.00000
    113      -0.3534      0.00000
    114      -0.3449      0.00000
    115      -0.2923      0.00000
    116      -0.2773      0.00000
    117       0.4677      0.00000
    118       0.5399      0.00000
    119       0.8199      0.00000
    120       1.0658      0.00000
    121       1.1227      0.00000
    122       1.3305      0.00000
    123       1.5319      0.00000
    124       1.5434      0.00000
    125       1.6274      0.00000
    126       1.7209      0.00000
    127       1.8606      0.00000
    128       1.9016      0.00000
    129       1.9553      0.00000
    130       2.0253      0.00000
    131       2.1561      0.00000
    132       2.2660      0.00000
    133       2.3581      0.00000
    134       2.5014      0.00000
    135       2.6317      0.00000
    136       2.6619      0.00000
    137       2.7001      0.00000
    138       2.7604      0.00000
    139       2.8926      0.00000
    140       2.9342      0.00000
    141       3.0295      0.00000
    142       3.1997      0.00000
    143       3.2200      0.00000
    144       3.2525      0.00000
    145       3.3685      0.00000
    146       3.3959      0.00000
    147       3.4694      0.00000
    148       3.5715      0.00000
    149       3.6328      0.00000
    150       3.6394      0.00000
    151       3.6706      0.00000
    152       3.7188      0.00000
    153       3.8244      0.00000
    154       3.8624      0.00000
    155       3.9195      0.00000
    156       3.9210      0.00000
    157       3.9996      0.00000
    158       4.0398      0.00000
    159       4.0843      0.00000
    160       4.0906      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0794      1.00000
      2     -21.2448      1.00000
      3     -21.1355      1.00000
      4     -21.1243      1.00000
      5     -21.1174      1.00000
      6     -21.0994      1.00000
      7     -21.0976      1.00000
      8     -19.3816      1.00000
      9     -19.3008      1.00000
     10     -19.2943      1.00000
     11     -19.2908      1.00000
     12     -19.2687      1.00000
     13     -19.2673      1.00000
     14     -18.4734      1.00000
     15     -18.4100      1.00000
     16     -18.4082      1.00000
     17     -18.3833      1.00000
     18     -18.3774      1.00000
     19     -18.3678      1.00000
     20     -16.3406      1.00000
     21     -16.2576      1.00000
     22     -16.2532      1.00000
     23     -16.2473      1.00000
     24     -16.2285      1.00000
     25     -16.2254      1.00000
     26     -15.3083      1.00000
     27     -15.2666      1.00000
     28     -15.2405      1.00000
     29     -15.2323      1.00000
     30     -15.2241      1.00000
     31     -15.2171      1.00000
     32     -13.9627      1.00000
     33     -13.9249      1.00000
     34     -13.9042      1.00000
     35     -13.8941      1.00000
     36     -13.8916      1.00000
     37     -13.8750      1.00000
     38     -11.7470      1.00000
     39     -11.5655      1.00000
     40     -11.5308      1.00000
     41     -11.5255      1.00000
     42     -11.5214      1.00000
     43     -11.5203      1.00000
     44     -11.4379      1.00000
     45     -11.4364      1.00000
     46     -11.4080      1.00000
     47     -11.3960      1.00000
     48     -11.3883      1.00000
     49     -11.3875      1.00000
     50     -11.1324      1.00000
     51     -10.2575      1.00000
     52     -10.0692      1.00000
     53     -10.0623      1.00000
     54     -10.0415      1.00000
     55     -10.0388      1.00000
     56     -10.0238      1.00000
     57      -9.9992      1.00000
     58      -9.4116      1.00000
     59      -9.1391      1.00000
     60      -9.0977      1.00000
     61      -9.0552      1.00000
     62      -9.0384      1.00000
     63      -9.0349      1.00000
     64      -8.8454      1.00000
     65      -8.7899      1.00000
     66      -8.7853      1.00000
     67      -8.7683      1.00000
     68      -8.7542      1.00000
     69      -8.7427      1.00000
     70      -8.7343      1.00000
     71      -8.7300      1.00000
     72      -8.7282      1.00000
     73      -8.7072      1.00000
     74      -8.6954      1.00000
     75      -8.6900      1.00000
     76      -7.3984      1.00000
     77      -7.2362      1.00000
     78      -7.1863      1.00000
     79      -7.1600      1.00000
     80      -7.1028      1.00000
     81      -7.1026      1.00000
     82      -7.0808      1.00000
     83      -7.0793      1.00000
     84      -6.9415      1.00000
     85      -6.9285      1.00000
     86      -6.9241      1.00000
     87      -6.9158      1.00000
     88      -6.3288      1.00000
     89      -6.2906      1.00000
     90      -6.1003      1.00000
     91      -6.0706      1.00000
     92      -6.0307      1.00000
     93      -6.0295      1.00000
     94      -5.6433      1.00000
     95      -5.6209      1.00000
     96      -4.9885      1.00000
     97      -4.6205      1.00000
     98      -4.2697      1.00000
     99      -4.2543      1.00000
    100      -4.0695      1.00000
    101      -4.0642      1.00000
    102      -4.0202      1.00000
    103      -3.8792      1.00000
    104      -3.5673      1.00000
    105      -3.4686      1.00000
    106      -3.4313      1.00000
    107      -1.9002      0.00000
    108      -1.2873      0.00000
    109      -1.2647      0.00000
    110      -1.2609      0.00000
    111      -1.2531      0.00000
    112      -1.2166      0.00000
    113      -1.0445      0.00000
    114       0.3603      0.00000
    115       0.4553      0.00000
    116       0.5356      0.00000
    117       0.5755      0.00000
    118       0.5845      0.00000
    119       0.5864      0.00000
    120       0.7555      0.00000
    121       1.2480      0.00000
    122       1.3222      0.00000
    123       1.3281      0.00000
    124       1.6623      0.00000
    125       1.9254      0.00000
    126       1.9326      0.00000
    127       1.9474      0.00000
    128       2.0197      0.00000
    129       2.1704      0.00000
    130       2.2904      0.00000
    131       2.2937      0.00000
    132       2.2954      0.00000
    133       2.2979      0.00000
    134       2.3046      0.00000
    135       2.3395      0.00000
    136       2.4033      0.00000
    137       2.5160      0.00000
    138       2.6525      0.00000
    139       2.6652      0.00000
    140       2.7066      0.00000
    141       2.7702      0.00000
    142       2.8557      0.00000
    143       2.8693      0.00000
    144       3.0037      0.00000
    145       3.0085      0.00000
    146       3.0306      0.00000
    147       3.0399      0.00000
    148       3.2749      0.00000
    149       3.4663      0.00000
    150       3.5894      0.00000
    151       3.7513      0.00000
    152       3.7636      0.00000
    153       3.9057      0.00000
    154       3.9312      0.00000
    155       3.9471      0.00000
    156       3.9760      0.00000
    157       4.1757      0.00000
    158       4.1823      0.00000
    159       4.3187      0.00000
    160       4.3278      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0424      1.00000
      2     -21.4831      1.00000
      3     -21.3006      1.00000
      4     -21.2680      1.00000
      5     -20.9317      1.00000
      6     -20.8945      1.00000
      7     -20.7207      1.00000
      8     -19.8295      1.00000
      9     -19.7898      1.00000
     10     -19.2790      1.00000
     11     -19.2487      1.00000
     12     -19.0834      1.00000
     13     -18.7593      1.00000
     14     -18.7209      1.00000
     15     -18.7122      1.00000
     16     -18.6986      1.00000
     17     -18.0337      1.00000
     18     -18.0076      1.00000
     19     -17.6883      1.00000
     20     -16.7495      1.00000
     21     -16.6938      1.00000
     22     -16.6224      1.00000
     23     -16.6002      1.00000
     24     -16.1441      1.00000
     25     -16.1204      1.00000
     26     -15.2920      1.00000
     27     -15.2653      1.00000
     28     -14.9402      1.00000
     29     -14.9028      1.00000
     30     -14.8454      1.00000
     31     -14.7655      1.00000
     32     -14.7365      1.00000
     33     -14.3735      1.00000
     34     -14.3569      1.00000
     35     -13.4113      1.00000
     36     -13.3866      1.00000
     37     -12.9117      1.00000
     38     -12.3093      1.00000
     39     -12.2529      1.00000
     40     -12.1279      1.00000
     41     -12.1112      1.00000
     42     -11.8265      1.00000
     43     -11.7744      1.00000
     44     -11.4388      1.00000
     45     -11.3467      1.00000
     46     -11.2004      1.00000
     47     -10.9017      1.00000
     48     -10.8893      1.00000
     49     -10.6923      1.00000
     50     -10.6718      1.00000
     51     -10.5926      1.00000
     52     -10.5678      1.00000
     53     -10.1912      1.00000
     54      -9.8330      1.00000
     55      -9.8174      1.00000
     56      -9.7762      1.00000
     57      -9.5765      1.00000
     58      -9.3997      1.00000
     59      -9.3757      1.00000
     60      -9.3101      1.00000
     61      -9.2841      1.00000
     62      -9.2437      1.00000
     63      -9.2049      1.00000
     64      -8.9933      1.00000
     65      -8.9726      1.00000
     66      -8.9243      1.00000
     67      -8.8807      1.00000
     68      -8.8194      1.00000
     69      -8.7884      1.00000
     70      -8.7711      1.00000
     71      -8.6109      1.00000
     72      -8.5409      1.00000
     73      -8.2941      1.00000
     74      -8.2685      1.00000
     75      -7.7874      1.00000
     76      -7.7216      1.00000
     77      -7.5662      1.00000
     78      -7.5336      1.00000
     79      -7.4380      1.00000
     80      -7.4289      1.00000
     81      -7.0735      1.00000
     82      -7.0487      1.00000
     83      -7.0229      1.00000
     84      -6.9842      1.00000
     85      -6.7936      1.00000
     86      -6.6932      1.00000
     87      -6.5528      1.00000
     88      -6.4650      1.00000
     89      -6.3671      1.00000
     90      -6.3056      1.00000
     91      -5.8402      1.00000
     92      -5.8115      1.00000
     93      -5.8059      1.00000
     94      -5.6887      1.00000
     95      -5.4795      1.00000
     96      -5.0508      1.00000
     97      -4.7431      1.00000
     98      -4.4604      1.00000
     99      -4.3730      1.00000
    100      -4.2109      1.00000
    101      -4.1673      1.00000
    102      -4.0202      1.00000
    103      -3.8303      1.00000
    104      -3.5261      1.00000
    105      -3.4558      1.00000
    106      -3.4057      1.00000
    107      -1.9200      0.00000
    108      -1.4346      0.00000
    109      -1.3128      0.00000
    110      -1.0128      0.00000
    111      -0.9751      0.00000
    112      -0.9586      0.00000
    113      -0.9093      0.00000
    114      -0.3140      0.00000
    115       0.0569      0.00000
    116       0.1083      0.00000
    117       0.7564      0.00000
    118       0.8706      0.00000
    119       1.0149      0.00000
    120       1.0779      0.00000
    121       1.2820      0.00000
    122       1.3644      0.00000
    123       1.4264      0.00000
    124       1.4939      0.00000
    125       1.5597      0.00000
    126       1.6770      0.00000
    127       1.7657      0.00000
    128       1.9618      0.00000
    129       1.9814      0.00000
    130       2.1188      0.00000
    131       2.2011      0.00000
    132       2.2615      0.00000
    133       2.3301      0.00000
    134       2.3692      0.00000
    135       2.4175      0.00000
    136       2.5438      0.00000
    137       2.7208      0.00000
    138       2.7518      0.00000
    139       2.7697      0.00000
    140       2.8242      0.00000
    141       2.8842      0.00000
    142       3.0558      0.00000
    143       3.1155      0.00000
    144       3.1198      0.00000
    145       3.1571      0.00000
    146       3.1959      0.00000
    147       3.2534      0.00000
    148       3.4191      0.00000
    149       3.4769      0.00000
    150       3.4990      0.00000
    151       3.5957      0.00000
    152       3.6063      0.00000
    153       3.7904      0.00000
    154       3.8573      0.00000
    155       3.9264      0.00000
    156       4.0294      0.00000
    157       4.1226      0.00000
    158       4.1363      0.00000
    159       4.1985      0.00000
    160       4.2981      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9341      1.00000
      2     -21.7353      1.00000
      3     -21.3770      1.00000
      4     -21.3426      1.00000
      5     -20.6385      1.00000
      6     -20.5984      1.00000
      7     -20.2757      1.00000
      8     -20.2367      1.00000
      9     -20.2261      1.00000
     10     -19.6960      1.00000
     11     -19.1752      1.00000
     12     -19.1417      1.00000
     13     -18.9758      1.00000
     14     -18.9567      1.00000
     15     -18.1175      1.00000
     16     -18.0737      1.00000
     17     -17.6009      1.00000
     18     -17.5693      1.00000
     19     -17.4298      1.00000
     20     -17.3897      1.00000
     21     -17.1133      1.00000
     22     -17.0868      1.00000
     23     -17.0131      1.00000
     24     -16.1383      1.00000
     25     -16.1177      1.00000
     26     -15.6267      1.00000
     27     -15.0922      1.00000
     28     -15.0677      1.00000
     29     -14.7743      1.00000
     30     -14.7530      1.00000
     31     -14.5445      1.00000
     32     -14.5120      1.00000
     33     -13.9628      1.00000
     34     -13.9247      1.00000
     35     -13.1202      1.00000
     36     -13.0724      1.00000
     37     -12.8678      1.00000
     38     -12.8381      1.00000
     39     -12.6460      1.00000
     40     -12.6322      1.00000
     41     -12.3095      1.00000
     42     -12.2760      1.00000
     43     -11.8826      1.00000
     44     -11.3696      1.00000
     45     -11.2034      1.00000
     46     -11.1509      1.00000
     47     -10.9572      1.00000
     48     -10.9480      1.00000
     49     -10.8139      1.00000
     50     -10.3466      1.00000
     51     -10.3351      1.00000
     52     -10.0955      1.00000
     53      -9.9968      1.00000
     54      -9.9812      1.00000
     55      -9.8418      1.00000
     56      -9.7883      1.00000
     57      -9.7788      1.00000
     58      -9.4634      1.00000
     59      -9.4516      1.00000
     60      -9.3991      1.00000
     61      -9.3689      1.00000
     62      -9.3589      1.00000
     63      -9.3230      1.00000
     64      -9.0383      1.00000
     65      -9.0201      1.00000
     66      -8.9831      1.00000
     67      -8.7021      1.00000
     68      -8.6398      1.00000
     69      -8.5439      1.00000
     70      -8.4774      1.00000
     71      -8.2708      1.00000
     72      -8.1898      1.00000
     73      -8.0717      1.00000
     74      -8.0568      1.00000
     75      -8.0119      1.00000
     76      -7.9574      1.00000
     77      -7.9366      1.00000
     78      -7.9236      1.00000
     79      -7.9018      1.00000
     80      -7.4701      1.00000
     81      -7.0747      1.00000
     82      -7.0305      1.00000
     83      -7.0207      1.00000
     84      -6.9195      1.00000
     85      -6.8993      1.00000
     86      -6.6623      1.00000
     87      -6.6550      1.00000
     88      -6.3026      1.00000
     89      -6.2452      1.00000
     90      -5.9740      1.00000
     91      -5.9097      1.00000
     92      -5.7359      1.00000
     93      -5.5219      1.00000
     94      -5.3952      1.00000
     95      -5.2328      1.00000
     96      -5.0659      1.00000
     97      -5.0043      1.00000
     98      -4.9037      1.00000
     99      -4.9003      1.00000
    100      -4.3207      1.00000
    101      -4.1638      1.00000
    102      -4.0619      1.00000
    103      -3.7737      1.00000
    104      -3.5623      1.00000
    105      -3.3585      1.00000
    106      -3.3481      1.00000
    107      -1.9444      0.00000
    108      -1.5320      0.00000
    109      -1.3405      0.00000
    110      -0.8317      0.00000
    111      -0.7079      0.00000
    112      -0.6588      0.00000
    113      -0.3492      0.00000
    114      -0.3132      0.00000
    115      -0.3000      0.00000
    116      -0.2837      0.00000
    117       0.4520      0.00000
    118       0.5381      0.00000
    119       0.8192      0.00000
    120       1.0758      0.00000
    121       1.1320      0.00000
    122       1.4143      0.00000
    123       1.5031      0.00000
    124       1.5558      0.00000
    125       1.6042      0.00000
    126       1.7047      0.00000
    127       1.8658      0.00000
    128       1.8959      0.00000
    129       1.9470      0.00000
    130       2.0569      0.00000
    131       2.0959      0.00000
    132       2.1939      0.00000
    133       2.3553      0.00000
    134       2.5194      0.00000
    135       2.6318      0.00000
    136       2.6561      0.00000
    137       2.7127      0.00000
    138       2.7591      0.00000
    139       2.8988      0.00000
    140       2.9650      0.00000
    141       3.0281      0.00000
    142       3.1985      0.00000
    143       3.2226      0.00000
    144       3.2526      0.00000
    145       3.3722      0.00000
    146       3.4110      0.00000
    147       3.4709      0.00000
    148       3.5355      0.00000
    149       3.6148      0.00000
    150       3.6494      0.00000
    151       3.6794      0.00000
    152       3.7143      0.00000
    153       3.8250      0.00000
    154       3.8968      0.00000
    155       3.9219      0.00000
    156       3.9333      0.00000
    157       3.9905      0.00000
    158       4.0235      0.00000
    159       4.0970      0.00000
    160       4.1153      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9694      1.00000
      2     -21.6104      1.00000
      3     -21.5618      1.00000
      4     -21.0365      1.00000
      5     -21.0131      1.00000
      6     -20.4922      1.00000
      7     -20.4448      1.00000
      8     -20.2855      1.00000
      9     -19.7345      1.00000
     10     -19.7327      1.00000
     11     -19.3795      1.00000
     12     -19.3580      1.00000
     13     -18.6575      1.00000
     14     -18.6537      1.00000
     15     -18.3005      1.00000
     16     -18.2897      1.00000
     17     -18.1277      1.00000
     18     -17.3570      1.00000
     19     -17.2953      1.00000
     20     -17.2830      1.00000
     21     -17.2570      1.00000
     22     -16.7866      1.00000
     23     -16.7728      1.00000
     24     -16.6225      1.00000
     25     -15.6597      1.00000
     26     -15.6055      1.00000
     27     -15.2535      1.00000
     28     -15.2432      1.00000
     29     -14.9738      1.00000
     30     -14.5290      1.00000
     31     -14.4992      1.00000
     32     -14.2557      1.00000
     33     -14.2162      1.00000
     34     -13.8348      1.00000
     35     -13.8278      1.00000
     36     -12.8122      1.00000
     37     -12.7614      1.00000
     38     -12.7218      1.00000
     39     -12.6977      1.00000
     40     -12.3913      1.00000
     41     -12.3827      1.00000
     42     -12.0042      1.00000
     43     -11.9781      1.00000
     44     -11.4405      1.00000
     45     -11.3009      1.00000
     46     -11.2412      1.00000
     47     -11.1221      1.00000
     48     -10.6031      1.00000
     49     -10.5883      1.00000
     50     -10.3065      1.00000
     51     -10.2940      1.00000
     52     -10.1682      1.00000
     53     -10.1669      1.00000
     54     -10.1136      1.00000
     55     -10.1008      1.00000
     56     -10.0293      1.00000
     57      -9.7106      1.00000
     58      -9.5823      1.00000
     59      -9.2925      1.00000
     60      -9.2363      1.00000
     61      -9.1509      1.00000
     62      -9.0785      1.00000
     63      -9.0693      1.00000
     64      -9.0520      1.00000
     65      -8.9987      1.00000
     66      -8.9678      1.00000
     67      -8.8577      1.00000
     68      -8.8228      1.00000
     69      -8.7807      1.00000
     70      -8.5316      1.00000
     71      -8.5246      1.00000
     72      -8.3978      1.00000
     73      -8.2810      1.00000
     74      -8.1271      1.00000
     75      -7.8803      1.00000
     76      -7.8419      1.00000
     77      -7.6013      1.00000
     78      -7.5398      1.00000
     79      -7.5097      1.00000
     80      -7.4989      1.00000
     81      -7.3885      1.00000
     82      -7.3788      1.00000
     83      -7.1332      1.00000
     84      -7.0774      1.00000
     85      -6.6047      1.00000
     86      -6.5786      1.00000
     87      -6.4824      1.00000
     88      -6.3515      1.00000
     89      -6.1171      1.00000
     90      -6.0543      1.00000
     91      -5.9775      1.00000
     92      -5.8938      1.00000
     93      -5.7331      1.00000
     94      -5.3420      1.00000
     95      -5.1676      1.00000
     96      -5.1268      1.00000
     97      -5.0566      1.00000
     98      -4.9045      1.00000
     99      -4.4502      1.00000
    100      -4.3964      1.00000
    101      -4.1621      1.00000
    102      -4.0377      1.00000
    103      -3.9406      1.00000
    104      -3.5556      1.00000
    105      -3.4910      1.00000
    106      -3.0574      1.00000
    107      -2.1248      0.00000
    108      -1.6017      0.00000
    109      -0.9376      0.00000
    110      -0.9080      0.00000
    111      -0.8419      0.00000
    112      -0.6384      0.00000
    113      -0.6296      0.00000
    114      -0.4970      0.00000
    115      -0.4847      0.00000
    116       0.4916      0.00000
    117       0.4959      0.00000
    118       0.5885      0.00000
    119       0.7883      0.00000
    120       1.0263      0.00000
    121       1.0807      0.00000
    122       1.2902      0.00000
    123       1.2997      0.00000
    124       1.4731      0.00000
    125       1.6324      0.00000
    126       1.7123      0.00000
    127       1.8425      0.00000
    128       2.0137      0.00000
    129       2.0530      0.00000
    130       2.0890      0.00000
    131       2.1678      0.00000
    132       2.3072      0.00000
    133       2.3588      0.00000
    134       2.4539      0.00000
    135       2.5436      0.00000
    136       2.7456      0.00000
    137       2.7987      0.00000
    138       2.8388      0.00000
    139       2.8845      0.00000
    140       2.9066      0.00000
    141       3.0575      0.00000
    142       3.0607      0.00000
    143       3.1326      0.00000
    144       3.1679      0.00000
    145       3.2579      0.00000
    146       3.3005      0.00000
    147       3.3688      0.00000
    148       3.4804      0.00000
    149       3.5771      0.00000
    150       3.6012      0.00000
    151       3.6786      0.00000
    152       3.6994      0.00000
    153       3.8041      0.00000
    154       3.9000      0.00000
    155       3.9643      0.00000
    156       3.9849      0.00000
    157       4.0016      0.00000
    158       4.1035      0.00000
    159       4.1669      0.00000
    160       4.1697      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8535      1.00000
      2     -21.7809      1.00000
      3     -21.6180      1.00000
      4     -21.0631      1.00000
      5     -20.7120      1.00000
      6     -20.6704      1.00000
      7     -20.1637      1.00000
      8     -20.1174      1.00000
      9     -19.9638      1.00000
     10     -19.9339      1.00000
     11     -19.6144      1.00000
     12     -19.5564      1.00000
     13     -18.5428      1.00000
     14     -18.4790      1.00000
     15     -18.0289      1.00000
     16     -17.9639      1.00000
     17     -17.8255      1.00000
     18     -17.7950      1.00000
     19     -17.5002      1.00000
     20     -17.4488      1.00000
     21     -16.9334      1.00000
     22     -16.8984      1.00000
     23     -16.8406      1.00000
     24     -16.7965      1.00000
     25     -15.7664      1.00000
     26     -15.5623      1.00000
     27     -15.5300      1.00000
     28     -15.4953      1.00000
     29     -14.9174      1.00000
     30     -14.2348      1.00000
     31     -14.1898      1.00000
     32     -13.9614      1.00000
     33     -13.6388      1.00000
     34     -13.6265      1.00000
     35     -13.5007      1.00000
     36     -13.4716      1.00000
     37     -13.2965      1.00000
     38     -13.2347      1.00000
     39     -13.0287      1.00000
     40     -12.2932      1.00000
     41     -11.8995      1.00000
     42     -11.8018      1.00000
     43     -11.7509      1.00000
     44     -11.6867      1.00000
     45     -11.3994      1.00000
     46     -11.3292      1.00000
     47     -11.1836      1.00000
     48     -10.8038      1.00000
     49     -10.7862      1.00000
     50     -10.4556      1.00000
     51     -10.3992      1.00000
     52     -10.0301      1.00000
     53      -9.8981      1.00000
     54      -9.8725      1.00000
     55      -9.8367      1.00000
     56      -9.6953      1.00000
     57      -9.6815      1.00000
     58      -9.6476      1.00000
     59      -9.4809      1.00000
     60      -9.4749      1.00000
     61      -9.4411      1.00000
     62      -9.4319      1.00000
     63      -9.1250      1.00000
     64      -9.0359      1.00000
     65      -8.7653      1.00000
     66      -8.7482      1.00000
     67      -8.7018      1.00000
     68      -8.6004      1.00000
     69      -8.5438      1.00000
     70      -8.3988      1.00000
     71      -8.3729      1.00000
     72      -8.2504      1.00000
     73      -8.2101      1.00000
     74      -8.1578      1.00000
     75      -8.1356      1.00000
     76      -8.0405      1.00000
     77      -7.9104      1.00000
     78      -7.7681      1.00000
     79      -7.7054      1.00000
     80      -7.5862      1.00000
     81      -7.4405      1.00000
     82      -7.2883      1.00000
     83      -7.2086      1.00000
     84      -6.7003      1.00000
     85      -6.6133      1.00000
     86      -6.5594      1.00000
     87      -6.4524      1.00000
     88      -6.2410      1.00000
     89      -6.1632      1.00000
     90      -6.1009      1.00000
     91      -5.9061      1.00000
     92      -5.6752      1.00000
     93      -5.5117      1.00000
     94      -5.4722      1.00000
     95      -5.2749      1.00000
     96      -5.1188      1.00000
     97      -4.9399      1.00000
     98      -4.9064      1.00000
     99      -4.9024      1.00000
    100      -4.4887      1.00000
    101      -4.1624      1.00000
    102      -4.0477      1.00000
    103      -3.9275      1.00000
    104      -3.5737      1.00000
    105      -3.5165      1.00000
    106      -2.8574      1.00000
    107      -2.2512      0.00000
    108      -1.6802      0.00000
    109      -0.9118      0.00000
    110      -0.8645      0.00000
    111      -0.8622      0.00000
    112      -0.7810      0.00000
    113      -0.1999      0.00000
    114      -0.1669      0.00000
    115      -0.0203      0.00000
    116       0.0054      0.00000
    117       0.2417      0.00000
    118       0.3227      0.00000
    119       0.7688      0.00000
    120       0.8557      0.00000
    121       0.9377      0.00000
    122       1.0558      0.00000
    123       1.2814      0.00000
    124       1.5134      0.00000
    125       1.5871      0.00000
    126       1.6738      0.00000
    127       1.9542      0.00000
    128       2.0330      0.00000
    129       2.0687      0.00000
    130       2.1299      0.00000
    131       2.3069      0.00000
    132       2.3716      0.00000
    133       2.4832      0.00000
    134       2.5810      0.00000
    135       2.6690      0.00000
    136       2.7580      0.00000
    137       2.9317      0.00000
    138       2.9907      0.00000
    139       3.0309      0.00000
    140       3.0597      0.00000
    141       3.1444      0.00000
    142       3.1634      0.00000
    143       3.1795      0.00000
    144       3.2175      0.00000
    145       3.3321      0.00000
    146       3.3942      0.00000
    147       3.4452      0.00000
    148       3.4676      0.00000
    149       3.4950      0.00000
    150       3.5497      0.00000
    151       3.5833      0.00000
    152       3.6006      0.00000
    153       3.6343      0.00000
    154       3.6946      0.00000
    155       3.7844      0.00000
    156       3.8916      0.00000
    157       3.9439      0.00000
    158       4.0422      0.00000
    159       4.1875      0.00000
    160       4.2048      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9688      1.00000
      2     -21.6168      1.00000
      3     -21.5555      1.00000
      4     -21.0463      1.00000
      5     -21.0047      1.00000
      6     -20.4968      1.00000
      7     -20.4375      1.00000
      8     -20.2828      1.00000
      9     -19.7572      1.00000
     10     -19.7164      1.00000
     11     -19.3853      1.00000
     12     -19.3482      1.00000
     13     -18.6795      1.00000
     14     -18.6355      1.00000
     15     -18.3231      1.00000
     16     -18.2770      1.00000
     17     -18.1230      1.00000
     18     -17.3431      1.00000
     19     -17.2961      1.00000
     20     -17.2720      1.00000
     21     -17.2449      1.00000
     22     -16.8146      1.00000
     23     -16.7579      1.00000
     24     -16.6431      1.00000
     25     -15.6901      1.00000
     26     -15.5795      1.00000
     27     -15.2727      1.00000
     28     -15.2347      1.00000
     29     -14.9411      1.00000
     30     -14.5600      1.00000
     31     -14.4930      1.00000
     32     -14.2458      1.00000
     33     -14.2040      1.00000
     34     -13.8391      1.00000
     35     -13.8269      1.00000
     36     -12.8647      1.00000
     37     -12.7583      1.00000
     38     -12.6960      1.00000
     39     -12.6830      1.00000
     40     -12.4075      1.00000
     41     -12.3595      1.00000
     42     -12.0064      1.00000
     43     -11.9886      1.00000
     44     -11.3793      1.00000
     45     -11.2948      1.00000
     46     -11.2348      1.00000
     47     -11.1805      1.00000
     48     -10.6098      1.00000
     49     -10.5889      1.00000
     50     -10.3395      1.00000
     51     -10.2630      1.00000
     52     -10.2137      1.00000
     53     -10.1725      1.00000
     54     -10.1270      1.00000
     55     -10.0732      1.00000
     56     -10.0185      1.00000
     57      -9.7125      1.00000
     58      -9.5772      1.00000
     59      -9.2858      1.00000
     60      -9.2196      1.00000
     61      -9.1287      1.00000
     62      -9.1060      1.00000
     63      -9.0708      1.00000
     64      -9.0408      1.00000
     65      -9.0048      1.00000
     66      -8.9549      1.00000
     67      -8.8446      1.00000
     68      -8.8024      1.00000
     69      -8.7824      1.00000
     70      -8.5454      1.00000
     71      -8.5344      1.00000
     72      -8.4107      1.00000
     73      -8.2696      1.00000
     74      -8.1546      1.00000
     75      -7.8785      1.00000
     76      -7.8479      1.00000
     77      -7.6330      1.00000
     78      -7.5394      1.00000
     79      -7.5002      1.00000
     80      -7.4522      1.00000
     81      -7.3934      1.00000
     82      -7.3601      1.00000
     83      -7.1621      1.00000
     84      -7.0497      1.00000
     85      -6.6249      1.00000
     86      -6.5926      1.00000
     87      -6.4926      1.00000
     88      -6.3069      1.00000
     89      -6.0945      1.00000
     90      -6.0455      1.00000
     91      -5.9826      1.00000
     92      -5.8779      1.00000
     93      -5.7961      1.00000
     94      -5.4809      1.00000
     95      -5.2697      1.00000
     96      -5.0620      1.00000
     97      -4.9032      1.00000
     98      -4.7707      1.00000
     99      -4.5159      1.00000
    100      -4.4365      1.00000
    101      -4.1756      1.00000
    102      -4.0061      1.00000
    103      -3.8638      1.00000
    104      -3.5974      1.00000
    105      -3.5228      1.00000
    106      -3.1693      1.00000
    107      -1.9277      0.00000
    108      -1.6944      0.00000
    109      -0.9880      0.00000
    110      -0.8964      0.00000
    111      -0.8723      0.00000
    112      -0.6357      0.00000
    113      -0.5777      0.00000
    114      -0.4944      0.00000
    115      -0.4642      0.00000
    116       0.3722      0.00000
    117       0.5289      0.00000
    118       0.5758      0.00000
    119       0.8106      0.00000
    120       1.0899      0.00000
    121       1.0968      0.00000
    122       1.2251      0.00000
    123       1.3534      0.00000
    124       1.4673      0.00000
    125       1.5965      0.00000
    126       1.7364      0.00000
    127       1.8374      0.00000
    128       2.0007      0.00000
    129       2.0640      0.00000
    130       2.0946      0.00000
    131       2.1594      0.00000
    132       2.3485      0.00000
    133       2.3722      0.00000
    134       2.4573      0.00000
    135       2.5019      0.00000
    136       2.7455      0.00000
    137       2.8015      0.00000
    138       2.8408      0.00000
    139       2.8758      0.00000
    140       2.9139      0.00000
    141       3.0377      0.00000
    142       3.0548      0.00000
    143       3.1320      0.00000
    144       3.1733      0.00000
    145       3.2679      0.00000
    146       3.3077      0.00000
    147       3.3779      0.00000
    148       3.4771      0.00000
    149       3.5691      0.00000
    150       3.6104      0.00000
    151       3.6842      0.00000
    152       3.6950      0.00000
    153       3.7962      0.00000
    154       3.9084      0.00000
    155       3.9338      0.00000
    156       3.9933      0.00000
    157       4.0058      0.00000
    158       4.1147      0.00000
    159       4.1355      0.00000
    160       4.1612      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0422      1.00000
      2     -21.4844      1.00000
      3     -21.2969      1.00000
      4     -21.2704      1.00000
      5     -20.9317      1.00000
      6     -20.8972      1.00000
      7     -20.7174      1.00000
      8     -19.8272      1.00000
      9     -19.7905      1.00000
     10     -19.2827      1.00000
     11     -19.2545      1.00000
     12     -19.0747      1.00000
     13     -18.7661      1.00000
     14     -18.7249      1.00000
     15     -18.7067      1.00000
     16     -18.6961      1.00000
     17     -18.0350      1.00000
     18     -18.0134      1.00000
     19     -17.6760      1.00000
     20     -16.7354      1.00000
     21     -16.6889      1.00000
     22     -16.6240      1.00000
     23     -16.6069      1.00000
     24     -16.1637      1.00000
     25     -16.1313      1.00000
     26     -15.2816      1.00000
     27     -15.2638      1.00000
     28     -14.9056      1.00000
     29     -14.8968      1.00000
     30     -14.8709      1.00000
     31     -14.7768      1.00000
     32     -14.7320      1.00000
     33     -14.3765      1.00000
     34     -14.3578      1.00000
     35     -13.4105      1.00000
     36     -13.3849      1.00000
     37     -12.9090      1.00000
     38     -12.3477      1.00000
     39     -12.2465      1.00000
     40     -12.1251      1.00000
     41     -12.1116      1.00000
     42     -11.7816      1.00000
     43     -11.7644      1.00000
     44     -11.3972      1.00000
     45     -11.3671      1.00000
     46     -11.2624      1.00000
     47     -10.9024      1.00000
     48     -10.8970      1.00000
     49     -10.6729      1.00000
     50     -10.6702      1.00000
     51     -10.6016      1.00000
     52     -10.5606      1.00000
     53     -10.1994      1.00000
     54      -9.8732      1.00000
     55      -9.8185      1.00000
     56      -9.7548      1.00000
     57      -9.5678      1.00000
     58      -9.3672      1.00000
     59      -9.3560      1.00000
     60      -9.3252      1.00000
     61      -9.3017      1.00000
     62      -9.2381      1.00000
     63      -9.2003      1.00000
     64      -8.9914      1.00000
     65      -8.9657      1.00000
     66      -8.9284      1.00000
     67      -8.9066      1.00000
     68      -8.8007      1.00000
     69      -8.7855      1.00000
     70      -8.7752      1.00000
     71      -8.6115      1.00000
     72      -8.5523      1.00000
     73      -8.2757      1.00000
     74      -8.2682      1.00000
     75      -7.8130      1.00000
     76      -7.7238      1.00000
     77      -7.5809      1.00000
     78      -7.5020      1.00000
     79      -7.4563      1.00000
     80      -7.4166      1.00000
     81      -7.1395      1.00000
     82      -6.9871      1.00000
     83      -6.9673      1.00000
     84      -6.9409      1.00000
     85      -6.8818      1.00000
     86      -6.6878      1.00000
     87      -6.5608      1.00000
     88      -6.4411      1.00000
     89      -6.3921      1.00000
     90      -6.3064      1.00000
     91      -5.8636      1.00000
     92      -5.7880      1.00000
     93      -5.7732      1.00000
     94      -5.6586      1.00000
     95      -5.5957      1.00000
     96      -5.0449      1.00000
     97      -4.6212      1.00000
     98      -4.5256      1.00000
     99      -4.3626      1.00000
    100      -4.2413      1.00000
    101      -4.1840      1.00000
    102      -3.8343      1.00000
    103      -3.8033      1.00000
    104      -3.7315      1.00000
    105      -3.4541      1.00000
    106      -3.4238      1.00000
    107      -1.8114      0.00000
    108      -1.4350      0.00000
    109      -1.3858      0.00000
    110      -1.0279      0.00000
    111      -1.0036      0.00000
    112      -0.9766      0.00000
    113      -0.8541      0.00000
    114      -0.2638      0.00000
    115       0.0402      0.00000
    116       0.0702      0.00000
    117       0.7398      0.00000
    118       0.9060      0.00000
    119       0.9307      0.00000
    120       1.2024      0.00000
    121       1.2627      0.00000
    122       1.3526      0.00000
    123       1.4317      0.00000
    124       1.4724      0.00000
    125       1.5491      0.00000
    126       1.6844      0.00000
    127       1.7661      0.00000
    128       1.9567      0.00000
    129       1.9749      0.00000
    130       2.1651      0.00000
    131       2.1988      0.00000
    132       2.2321      0.00000
    133       2.3282      0.00000
    134       2.3828      0.00000
    135       2.4195      0.00000
    136       2.5482      0.00000
    137       2.7186      0.00000
    138       2.7479      0.00000
    139       2.7779      0.00000
    140       2.8064      0.00000
    141       2.8742      0.00000
    142       3.0454      0.00000
    143       3.1297      0.00000
    144       3.1457      0.00000
    145       3.1704      0.00000
    146       3.2215      0.00000
    147       3.2338      0.00000
    148       3.4188      0.00000
    149       3.4200      0.00000
    150       3.5067      0.00000
    151       3.6043      0.00000
    152       3.6076      0.00000
    153       3.7848      0.00000
    154       3.8528      0.00000
    155       3.9211      0.00000
    156       3.9978      0.00000
    157       4.1338      0.00000
    158       4.1544      0.00000
    159       4.2031      0.00000
    160       4.4298      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8492      1.00000
      2     -21.7868      1.00000
      3     -21.6164      1.00000
      4     -21.0646      1.00000
      5     -20.7019      1.00000
      6     -20.6793      1.00000
      7     -20.1538      1.00000
      8     -20.1282      1.00000
      9     -19.9468      1.00000
     10     -19.9463      1.00000
     11     -19.6096      1.00000
     12     -19.5652      1.00000
     13     -18.5458      1.00000
     14     -18.4895      1.00000
     15     -17.9947      1.00000
     16     -17.9803      1.00000
     17     -17.8154      1.00000
     18     -17.8095      1.00000
     19     -17.4764      1.00000
     20     -17.4622      1.00000
     21     -16.9376      1.00000
     22     -16.9097      1.00000
     23     -16.8183      1.00000
     24     -16.8068      1.00000
     25     -15.7923      1.00000
     26     -15.5362      1.00000
     27     -15.5339      1.00000
     28     -15.5196      1.00000
     29     -14.8904      1.00000
     30     -14.2260      1.00000
     31     -14.2056      1.00000
     32     -13.9367      1.00000
     33     -13.6672      1.00000
     34     -13.6255      1.00000
     35     -13.4958      1.00000
     36     -13.4813      1.00000
     37     -13.2731      1.00000
     38     -13.2457      1.00000
     39     -13.0314      1.00000
     40     -12.3165      1.00000
     41     -11.8429      1.00000
     42     -11.8295      1.00000
     43     -11.7257      1.00000
     44     -11.6911      1.00000
     45     -11.4115      1.00000
     46     -11.3378      1.00000
     47     -11.1723      1.00000
     48     -10.8094      1.00000
     49     -10.7999      1.00000
     50     -10.4647      1.00000
     51     -10.4101      1.00000
     52     -10.0392      1.00000
     53      -9.8764      1.00000
     54      -9.8662      1.00000
     55      -9.8499      1.00000
     56      -9.7006      1.00000
     57      -9.6612      1.00000
     58      -9.6471      1.00000
     59      -9.4938      1.00000
     60      -9.4633      1.00000
     61      -9.4461      1.00000
     62      -9.4322      1.00000
     63      -9.1382      1.00000
     64      -9.0339      1.00000
     65      -8.7648      1.00000
     66      -8.7287      1.00000
     67      -8.6753      1.00000
     68      -8.6305      1.00000
     69      -8.5364      1.00000
     70      -8.3784      1.00000
     71      -8.3695      1.00000
     72      -8.2488      1.00000
     73      -8.2287      1.00000
     74      -8.1344      1.00000
     75      -8.1339      1.00000
     76      -8.0098      1.00000
     77      -7.9750      1.00000
     78      -7.7669      1.00000
     79      -7.7287      1.00000
     80      -7.6226      1.00000
     81      -7.3743      1.00000
     82      -7.2966      1.00000
     83      -7.1903      1.00000
     84      -6.7362      1.00000
     85      -6.6283      1.00000
     86      -6.5579      1.00000
     87      -6.3108      1.00000
     88      -6.2345      1.00000
     89      -6.1687      1.00000
     90      -6.1409      1.00000
     91      -6.0590      1.00000
     92      -5.6740      1.00000
     93      -5.4874      1.00000
     94      -5.4524      1.00000
     95      -5.2992      1.00000
     96      -5.0925      1.00000
     97      -4.9175      1.00000
     98      -4.9107      1.00000
     99      -4.8779      1.00000
    100      -4.4616      1.00000
    101      -4.1519      1.00000
    102      -4.0236      1.00000
    103      -3.9556      1.00000
    104      -3.5866      1.00000
    105      -3.5347      1.00000
    106      -2.9616      1.00000
    107      -2.1037      0.00000
    108      -1.7299      0.00000
    109      -0.8669      0.00000
    110      -0.8656      0.00000
    111      -0.8582      0.00000
    112      -0.8296      0.00000
    113      -0.1874      0.00000
    114      -0.1720      0.00000
    115      -0.0418      0.00000
    116      -0.0185      0.00000
    117       0.2972      0.00000
    118       0.3041      0.00000
    119       0.7473      0.00000
    120       0.8477      0.00000
    121       0.9881      0.00000
    122       1.0282      0.00000
    123       1.2424      0.00000
    124       1.5658      0.00000
    125       1.5757      0.00000
    126       1.6520      0.00000
    127       1.9621      0.00000
    128       2.0408      0.00000
    129       2.0606      0.00000
    130       2.1411      0.00000
    131       2.3067      0.00000
    132       2.3725      0.00000
    133       2.5380      0.00000
    134       2.5525      0.00000
    135       2.6519      0.00000
    136       2.8257      0.00000
    137       2.9215      0.00000
    138       2.9573      0.00000
    139       3.0256      0.00000
    140       3.0586      0.00000
    141       3.1260      0.00000
    142       3.1638      0.00000
    143       3.1999      0.00000
    144       3.2135      0.00000
    145       3.3336      0.00000
    146       3.3842      0.00000
    147       3.4323      0.00000
    148       3.4725      0.00000
    149       3.5044      0.00000
    150       3.5495      0.00000
    151       3.5607      0.00000
    152       3.5872      0.00000
    153       3.6310      0.00000
    154       3.6772      0.00000
    155       3.8015      0.00000
    156       3.9117      0.00000
    157       3.9459      0.00000
    158       4.0387      0.00000
    159       4.1739      0.00000
    160       4.1953      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9327      1.00000
      2     -21.7375      1.00000
      3     -21.3743      1.00000
      4     -21.3453      1.00000
      5     -20.6368      1.00000
      6     -20.6002      1.00000
      7     -20.2664      1.00000
      8     -20.2380      1.00000
      9     -20.2306      1.00000
     10     -19.6932      1.00000
     11     -19.1751      1.00000
     12     -19.1463      1.00000
     13     -18.9797      1.00000
     14     -18.9647      1.00000
     15     -18.1064      1.00000
     16     -18.0717      1.00000
     17     -17.5999      1.00000
     18     -17.5754      1.00000
     19     -17.4221      1.00000
     20     -17.3853      1.00000
     21     -17.1136      1.00000
     22     -17.0914      1.00000
     23     -16.9973      1.00000
     24     -16.1628      1.00000
     25     -16.1271      1.00000
     26     -15.6379      1.00000
     27     -15.0855      1.00000
     28     -15.0669      1.00000
     29     -14.7745      1.00000
     30     -14.7525      1.00000
     31     -14.5105      1.00000
     32     -14.5031      1.00000
     33     -13.9868      1.00000
     34     -13.9184      1.00000
     35     -13.1456      1.00000
     36     -13.0654      1.00000
     37     -12.8590      1.00000
     38     -12.8347      1.00000
     39     -12.6597      1.00000
     40     -12.6375      1.00000
     41     -12.2933      1.00000
     42     -12.2709      1.00000
     43     -11.8780      1.00000
     44     -11.2727      1.00000
     45     -11.2557      1.00000
     46     -11.1848      1.00000
     47     -10.9876      1.00000
     48     -10.9453      1.00000
     49     -10.8037      1.00000
     50     -10.3799      1.00000
     51     -10.3386      1.00000
     52     -10.0939      1.00000
     53      -9.9809      1.00000
     54      -9.9801      1.00000
     55      -9.8575      1.00000
     56      -9.7999      1.00000
     57      -9.7657      1.00000
     58      -9.4795      1.00000
     59      -9.4175      1.00000
     60      -9.3878      1.00000
     61      -9.3720      1.00000
     62      -9.3649      1.00000
     63      -9.3204      1.00000
     64      -9.0329      1.00000
     65      -9.0178      1.00000
     66      -8.9983      1.00000
     67      -8.6533      1.00000
     68      -8.6321      1.00000
     69      -8.5795      1.00000
     70      -8.4583      1.00000
     71      -8.2710      1.00000
     72      -8.1975      1.00000
     73      -8.0966      1.00000
     74      -8.0610      1.00000
     75      -7.9702      1.00000
     76      -7.9669      1.00000
     77      -7.9341      1.00000
     78      -7.9164      1.00000
     79      -7.9073      1.00000
     80      -7.4889      1.00000
     81      -7.2142      1.00000
     82      -7.0203      1.00000
     83      -6.9371      1.00000
     84      -6.8727      1.00000
     85      -6.8244      1.00000
     86      -6.6754      1.00000
     87      -6.6355      1.00000
     88      -6.2956      1.00000
     89      -6.2573      1.00000
     90      -6.1419      1.00000
     91      -5.9555      1.00000
     92      -5.6312      1.00000
     93      -5.5177      1.00000
     94      -5.3931      1.00000
     95      -5.3198      1.00000
     96      -5.0064      1.00000
     97      -4.9727      1.00000
     98      -4.9070      1.00000
     99      -4.8801      1.00000
    100      -4.2476      1.00000
    101      -4.1680      1.00000
    102      -3.9707      1.00000
    103      -3.7959      1.00000
    104      -3.6130      1.00000
    105      -3.5058      1.00000
    106      -3.3614      1.00000
    107      -1.7465      0.00000
    108      -1.5212      0.00000
    109      -1.4818      0.00000
    110      -0.7622      0.00000
    111      -0.7166      0.00000
    112      -0.7014      0.00000
    113      -0.3534      0.00000
    114      -0.3449      0.00000
    115      -0.2923      0.00000
    116      -0.2773      0.00000
    117       0.4677      0.00000
    118       0.5399      0.00000
    119       0.8199      0.00000
    120       1.0658      0.00000
    121       1.1227      0.00000
    122       1.3305      0.00000
    123       1.5319      0.00000
    124       1.5434      0.00000
    125       1.6274      0.00000
    126       1.7209      0.00000
    127       1.8606      0.00000
    128       1.9016      0.00000
    129       1.9553      0.00000
    130       2.0253      0.00000
    131       2.1561      0.00000
    132       2.2660      0.00000
    133       2.3581      0.00000
    134       2.5015      0.00000
    135       2.6318      0.00000
    136       2.6619      0.00000
    137       2.7002      0.00000
    138       2.7604      0.00000
    139       2.8926      0.00000
    140       2.9342      0.00000
    141       3.0296      0.00000
    142       3.1997      0.00000
    143       3.2200      0.00000
    144       3.2525      0.00000
    145       3.3685      0.00000
    146       3.3959      0.00000
    147       3.4695      0.00000
    148       3.5715      0.00000
    149       3.6328      0.00000
    150       3.6394      0.00000
    151       3.6706      0.00000
    152       3.7189      0.00000
    153       3.8244      0.00000
    154       3.8624      0.00000
    155       3.9195      0.00000
    156       3.9210      0.00000
    157       3.9996      0.00000
    158       4.0398      0.00000
    159       4.0843      0.00000
    160       4.0906      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8851   -7.1182    4.1312   -1.3435   -0.2919   17.9324   -0.2863   -0.0282    0.1588   -0.1181
x    -3.2528   -0.0116   -0.0004   -0.0469    0.1020   -3.0479    0.0186   -0.0218    0.0097    0.0027
x    -0.0995    0.0018   -0.0004   -0.0004    0.0005   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8851    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0008    0.0009    0.0036   -0.1002   -0.0413    0.0833    0.0202
y     0.0042   -3.2708   -0.0626    0.2285   -2.3982   -0.6400
z   203.8851    1.5036    0.2855    0.1076    0.0440    0.0808   -0.0026   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0858    0.0043   -0.0015    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4423
z    -0.4215    0.1505    0.0488    0.1381   -0.0846    0.0003
 total charge-density along one line
x   212.0000  -10.0914    6.1818   -2.2003   -0.5433   19.9220   -1.5346    1.0932   -0.6230    0.2969
x    -2.8497    0.0060    0.0200   -0.0536    0.0873   -2.3189    0.0254   -0.0279    0.0130    0.0038
x    -0.0937    0.0073   -0.0047    0.0021   -0.0006   -0.0351   -0.0003   -0.0003    0.0004   -0.0003
x    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
x    -0.0004    0.0000    0.0000    0.0000    0.0001   -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  -10.0914    6.1818   -2.2003   -0.5433   19.9221   -1.5346    1.0932   -0.6230    0.2969
y    -2.8497    0.0060    0.0200   -0.0536    0.0873   -2.3189    0.0254   -0.0279    0.0130    0.0038
y    -0.0937    0.0073   -0.0047    0.0021   -0.0006   -0.0351   -0.0003   -0.0003    0.0004   -0.0003
y    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
y    -0.0004    0.0000    0.0000    0.0000    0.0001   -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 -205.1453  189.0967 -171.5271  155.1575 -138.8677  122.8147 -108.2013   94.3318  -79.5409
z    64.1635  -50.3370   39.4124  -31.0647   24.4967  -19.2604   15.0132  -11.4054    8.3576   -5.9910
z     4.2482   -2.8863    1.7964   -1.0378    0.5729   -0.2216   -0.1035    0.3228   -0.3878    0.3906
z    -0.4248    0.4635   -0.4415    0.3708   -0.3102    0.2767   -0.2463    0.2081   -0.1731    0.1456
z    -0.1199    0.0963   -0.0796    0.0674   -0.0548    0.0433   -0.0368    0.0331   -0.0277    0.0212
z    -0.0175    0.0163   -0.0143    0.0109   -0.0082    0.0069   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.928   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.051   0.000   0.008   0.002   0.000   0.209
  0.000   0.041   0.000 -10.976   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.737   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.209   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.020   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.928   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.051   0.000   0.008   0.002   0.000   0.209
  0.000   0.041   0.000 -10.976   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.737   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.209   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.020   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.040   0.000  -0.002   0.091   0.000  -0.024   0.000  -0.008   0.065  -0.013   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.092   0.000   0.000   0.238   0.000  -0.071   0.000   0.000   0.000   0.015   0.000   0.019   0.023
  0.040   0.000   1.721   0.000  -0.020  -0.013   0.000   0.404   0.000   0.006  -0.313   0.024   0.000  -0.025   0.000   0.000
  0.000   0.092   0.000   1.775   0.000   0.000  -0.071   0.000   0.316   0.000   0.000   0.000   0.019   0.000  -0.004  -0.001
 -0.002   0.000  -0.020   0.000   1.950  -0.008   0.000   0.012   0.000   0.080  -0.057   0.006   0.000  -0.007   0.000   0.000
  0.091   0.000  -0.013   0.000  -0.008   0.031   0.000  -0.038   0.000   0.005  -0.066   0.028   0.000   0.026   0.000   0.000
  0.000   0.238   0.000  -0.071   0.000   0.000   0.148   0.000  -0.077   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.404   0.000   0.012  -0.038   0.000   0.673   0.000   0.023   0.518  -0.355   0.000  -0.104   0.000   0.000
  0.000  -0.071   0.000   0.316   0.000   0.000  -0.077   0.000   0.238   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.008   0.000   0.006   0.000   0.080   0.005   0.000   0.023   0.000   0.038   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.065   0.000  -0.313   0.000  -0.057  -0.066   0.000   0.518   0.000   0.043   0.875  -0.391   0.000  -0.154   0.000   0.000
 -0.013   0.000   0.024   0.000   0.006   0.028   0.000  -0.355   0.000  -0.016  -0.391   0.272   0.000   0.081   0.000   0.000
  0.000   0.015   0.000   0.019   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.025   0.000  -0.007   0.026   0.000  -0.104   0.000  -0.015  -0.154   0.081   0.000   0.172   0.000   0.000
  0.000   0.019   0.000  -0.004   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.029   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.025   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.429   0.164   8.205   8.799
  2        0.629   0.031   0.000   0.660
  3        0.545   0.027   0.000   0.573
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.645
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.786   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.636
 17        0.850   1.758   0.000   2.608
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.648
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.772   0.000   2.636
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.786   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.645
------------------------------------------------
tot       44.745  89.258   8.205 142.208
 


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


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


    CHARGE:  VPU time  114.23: CPU time   57.69
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  442.46: CPU time  222.06
    STRESS:  VPU time 1337.38: CPU time  672.68
    FORCOR:  VPU time    8.77: CPU time    8.76
    FORHAR:  VPU time    2.30: CPU time    2.30
    MIXING:  VPU time    0.22: CPU time    0.22
 d Force = 0.3112691E-01[ 0.153E-02, 0.607E-01]  d Energy = 0.3690201E-01-0.578E-02
 d Force =-0.1703942E+01[-0.184E+01,-0.156E+01]  d Ewald  =-0.6642967E+01 0.494E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.338802 eV

  energy  without entropy=     -470.338802  energy(sigma->0) =     -470.338802
 

  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    40609.69  40583.79 -47255.31    -22.43      0.00      0.00
  Hartree  40136.11  40123.56 -39365.45    -10.87      0.00      0.00
  E(xc)     -779.88   -779.98   -807.00     -0.09      0.00      0.00
  Local   -83034.31 -82999.54  83949.21     30.12      0.00      0.00
  n-local   -223.90   -221.76   -215.67      1.08      0.00      0.00
  augment     21.43     21.92     18.84      0.43      0.00      0.00
  Kinetic   3173.07   3181.32   3581.11     -0.97      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00     -0.60     -0.33     -0.52      0.00      0.00
  in kB        0.00     -0.36     -0.20     -0.31      0.00      0.00
  external pressure =       -0.19 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.350067561  0.004178822  0.000000000     0.080955414  0.046703182  0.000000000
    -6.171421459 10.697557572  0.000000000    -0.000031624  0.093461038  0.000000000
     0.000000000  0.000000000 19.963939015     0.000000000  0.000000000  0.050090315

  length of vectors
    12.350068268 12.350068049 19.963939015     0.093461042  0.093461043  0.050090315


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.605E-05 -.452E-04 -.104E+04   0.580E-05 -.294E-04 0.104E+04   -.244E-20 -.424E-21 0.325E+01   -.340E-07 0.201E-07 0.572E-02
   -.124E-06 -.798E-05 -.107E+03   -.710E-07 -.948E-06 0.104E+03   0.159E-21 0.529E-22 0.349E+01   -.847E-08 0.480E-08 -.661E-03
   -.534E-07 -.668E-05 -.114E+03   -.709E-07 -.597E-06 0.118E+03   0.423E-21 -.212E-21 -.460E+01   -.590E-08 0.337E-08 -.136E-03
   -.178E+01 0.103E+01 0.219E+02   0.179E+01 -.103E+01 -.219E+02   0.100E-02 -.577E-03 0.199E-01   0.321E-03 -.188E-03 0.702E-03
   0.570E+01 0.661E+01 0.247E+02   -.569E+01 -.663E+01 -.247E+02   -.687E-03 0.182E-01 -.205E-02   0.161E-02 -.110E-02 0.824E-03
   0.109E+02 0.542E+01 0.207E+02   -.109E+02 -.544E+01 -.207E+02   0.105E-01 0.160E-01 -.504E-01   0.139E-02 -.177E-02 0.414E-03
   0.442E+01 -.123E+01 0.189E+02   -.443E+01 0.125E+01 -.189E+02   0.212E-01 -.224E-01 0.289E-01   0.664E-03 -.585E-03 0.114E-03
   -.265E+01 -.258E+01 0.175E+02   0.266E+01 0.259E+01 -.176E+02   -.729E-02 -.166E-01 0.243E-01   0.349E-03 -.210E-03 0.336E-03
   0.915E+00 0.358E+01 0.175E+02   -.915E+00 -.360E+01 -.176E+02   0.107E-01 0.146E-01 0.243E-01   0.352E-03 -.202E-03 0.331E-03
   0.309E+01 0.180E+02 0.284E+02   -.309E+01 -.181E+02 -.284E+02   0.135E-01 0.441E-01 0.297E-01   -.264E-03 -.378E-03 0.741E-03
   0.209E+02 0.235E+02 0.401E+02   -.209E+02 -.236E+02 -.400E+02   0.474E-01 0.188E+00 -.105E+00   0.506E-03 -.373E-02 0.890E-03
   0.270E+02 -.522E+01 0.256E+02   -.272E+02 0.532E+01 -.257E+02   0.210E+00 -.105E+00 0.588E-01   -.988E-04 -.173E-02 0.297E-03
   0.945E+01 -.546E+01 0.164E+02   -.944E+01 0.545E+01 -.164E+02   -.876E-02 0.506E-02 0.418E-01   0.255E-03 -.153E-03 0.156E-03
   0.327E+01 -.321E+01 0.189E+02   -.329E+01 0.321E+01 -.189E+02   0.300E-01 -.714E-02 0.289E-01   0.836E-03 -.287E-03 0.104E-03
   -.590E+01 0.130E+02 0.220E+02   0.589E+01 -.130E+02 -.220E+02   0.170E-01 0.519E-01 0.274E-01   0.186E-03 -.179E-02 0.132E-03
   -.125E+02 0.345E+02 0.389E+02   0.124E+02 -.350E+02 -.394E+02   0.188E-01 0.495E+00 0.542E+00   -.672E-03 -.140E-02 0.112E-02
   0.336E+02 -.194E+02 0.476E+02   -.348E+02 0.201E+02 -.502E+02   0.123E+01 -.712E+00 0.261E+01   0.210E-02 -.122E-02 0.331E-02
   0.180E+02 -.207E+02 0.256E+02   -.182E+02 0.209E+02 -.257E+02   0.196E+00 -.129E+00 0.588E-01   0.144E-02 0.941E-03 0.291E-03
   0.773E+00 -.122E+02 0.207E+02   -.756E+00 0.122E+02 -.207E+02   -.861E-02 -.171E-01 -.504E-01   0.223E-02 -.321E-03 0.407E-03
   -.383E+01 0.128E+01 0.160E+02   0.385E+01 -.129E+01 -.160E+02   -.447E-02 0.440E-02 -.405E-01   0.187E-02 -.137E-02 0.127E-03
   -.176E+02 0.102E+02 0.189E+02   0.177E+02 -.102E+02 -.187E+02   -.295E-01 0.170E-01 -.161E+00   0.246E-02 -.142E-02 0.134E-03
   -.361E+02 -.649E+01 0.389E+02   0.366E+02 0.675E+01 -.394E+02   -.419E+00 -.264E+00 0.542E+00   0.883E-03 0.128E-02 0.112E-02
   -.986E+01 -.298E+02 0.401E+02   0.100E+02 0.300E+02 -.400E+02   -.139E+00 -.135E+00 -.105E+00   0.348E-02 0.142E-02 0.888E-03
   -.288E+01 -.824E+01 0.247E+02   0.290E+01 0.824E+01 -.247E+02   -.161E-01 -.850E-02 -.205E-02   0.176E-02 -.845E-03 0.823E-03
   0.104E+01 -.599E+00 0.178E+02   -.103E+01 0.595E+00 -.178E+02   -.190E-02 0.110E-02 -.310E-01   0.204E-02 -.118E-02 0.463E-03
   -.303E+01 0.267E+01 0.160E+02   0.304E+01 -.268E+01 -.160E+02   -.604E-02 0.168E-02 -.405E-01   0.212E-02 -.928E-03 0.133E-03
   -.142E+02 -.137E+01 0.220E+02   0.142E+02 0.140E+01 -.220E+02   -.364E-01 -.407E-01 0.274E-01   0.165E-02 0.734E-03 0.141E-03
   -.141E+02 -.117E+02 0.284E+02   0.141E+02 0.117E+02 -.284E+02   -.314E-01 -.337E-01 0.297E-01   0.197E-03 0.413E-03 0.745E-03
   0.288E+01 0.824E+01 0.247E+02   -.290E+01 -.824E+01 -.247E+02   0.161E-01 0.850E-02 -.205E-02   -.176E-02 0.845E-03 0.823E-03
   0.141E+02 0.117E+02 0.284E+02   -.141E+02 -.117E+02 -.284E+02   0.314E-01 0.337E-01 0.297E-01   -.197E-03 -.413E-03 0.745E-03
   0.142E+02 0.137E+01 0.220E+02   -.142E+02 -.140E+01 -.220E+02   0.364E-01 0.407E-01 0.274E-01   -.165E-02 -.734E-03 0.141E-03
   0.303E+01 -.267E+01 0.160E+02   -.304E+01 0.268E+01 -.160E+02   0.604E-02 -.168E-02 -.405E-01   -.212E-02 0.928E-03 0.133E-03
   -.104E+01 0.599E+00 0.178E+02   0.103E+01 -.595E+00 -.178E+02   0.190E-02 -.110E-02 -.310E-01   -.204E-02 0.118E-02 0.463E-03
   -.774E+00 0.122E+02 0.207E+02   0.755E+00 -.122E+02 -.207E+02   0.861E-02 0.171E-01 -.504E-01   -.223E-02 0.321E-03 0.407E-03
   0.986E+01 0.298E+02 0.401E+02   -.100E+02 -.300E+02 -.400E+02   0.139E+00 0.135E+00 -.105E+00   -.348E-02 -.142E-02 0.888E-03
   0.361E+02 0.649E+01 0.389E+02   -.366E+02 -.675E+01 -.394E+02   0.419E+00 0.264E+00 0.542E+00   -.883E-03 -.128E-02 0.112E-02
   0.176E+02 -.102E+02 0.189E+02   -.177E+02 0.102E+02 -.187E+02   0.295E-01 -.170E-01 -.161E+00   -.246E-02 0.142E-02 0.134E-03
   0.383E+01 -.128E+01 0.160E+02   -.385E+01 0.129E+01 -.160E+02   0.447E-02 -.440E-02 -.405E-01   -.187E-02 0.137E-02 0.127E-03
   -.327E+01 0.321E+01 0.189E+02   0.329E+01 -.321E+01 -.189E+02   -.300E-01 0.714E-02 0.289E-01   -.836E-03 0.287E-03 0.104E-03
   -.180E+02 0.207E+02 0.256E+02   0.182E+02 -.209E+02 -.257E+02   -.196E+00 0.129E+00 0.588E-01   -.144E-02 -.941E-03 0.291E-03
   -.336E+02 0.194E+02 0.476E+02   0.348E+02 -.201E+02 -.502E+02   -.123E+01 0.712E+00 0.261E+01   -.210E-02 0.122E-02 0.331E-02
   0.125E+02 -.345E+02 0.389E+02   -.124E+02 0.350E+02 -.394E+02   -.188E-01 -.495E+00 0.542E+00   0.673E-03 0.140E-02 0.112E-02
   0.590E+01 -.130E+02 0.220E+02   -.589E+01 0.130E+02 -.220E+02   -.170E-01 -.519E-01 0.274E-01   -.186E-03 0.179E-02 0.132E-03
   -.915E+00 -.358E+01 0.175E+02   0.915E+00 0.360E+01 -.176E+02   -.107E-01 -.146E-01 0.243E-01   -.352E-03 0.202E-03 0.331E-03
   -.945E+01 0.546E+01 0.164E+02   0.944E+01 -.545E+01 -.164E+02   0.876E-02 -.506E-02 0.418E-01   -.255E-03 0.153E-03 0.156E-03
   -.270E+02 0.522E+01 0.256E+02   0.272E+02 -.532E+01 -.257E+02   -.210E+00 0.105E+00 0.588E-01   0.987E-04 0.173E-02 0.297E-03
   -.209E+02 -.235E+02 0.401E+02   0.209E+02 0.236E+02 -.400E+02   -.474E-01 -.188E+00 -.105E+00   -.506E-03 0.373E-02 0.890E-03
   -.309E+01 -.180E+02 0.284E+02   0.309E+01 0.181E+02 -.284E+02   -.135E-01 -.441E-01 0.297E-01   0.264E-03 0.378E-03 0.741E-03
   0.178E+01 -.103E+01 0.219E+02   -.179E+01 0.103E+01 -.219E+02   -.100E-02 0.577E-03 0.199E-01   -.321E-03 0.188E-03 0.702E-03
   0.265E+01 0.258E+01 0.175E+02   -.266E+01 -.259E+01 -.176E+02   0.729E-02 0.166E-01 0.243E-01   -.349E-03 0.210E-03 0.336E-03
   -.442E+01 0.123E+01 0.189E+02   0.443E+01 -.125E+01 -.189E+02   -.212E-01 0.224E-01 0.289E-01   -.664E-03 0.585E-03 0.114E-03
   -.109E+02 -.542E+01 0.207E+02   0.109E+02 0.544E+01 -.207E+02   -.105E-01 -.160E-01 -.504E-01   -.139E-02 0.177E-02 0.414E-03
   -.570E+01 -.661E+01 0.247E+02   0.569E+01 0.663E+01 -.247E+02   0.687E-03 -.182E-01 -.205E-02   -.161E-02 0.110E-02 0.824E-03
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.303E-03 -.918E+01   0.298E-12 -.178E-12 -.320E-12   0.284E-15 -.219E-15 0.915E+01   -.118E-06 0.981E-07 0.344E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85456      6.06376     12.22991         0.000000      0.000000      0.038858
      1.85456      6.06376     14.01279         0.000000      0.000000     -0.013387
      1.85456      6.06376     14.78269         0.000000      0.000000     -0.007901
      0.00045     -0.00026      9.91691         0.010822     -0.006248     -0.001932
     11.11503      2.14275      9.92054         0.007241     -0.004185     -0.002887
      9.87901      4.28280      9.94505         0.012868     -0.005893      0.001002
      8.64592      6.42279      9.94501         0.012732     -0.005969     -0.000139
     -4.93506      8.55827      9.93582         0.009074     -0.006826     -0.003896
     -3.70057     10.69648      9.93582         0.010448     -0.004446     -0.003896
      1.23555      2.13820      9.94384         0.008457     -0.013561     -0.004380
     -0.00408      4.27793      9.99733         0.009949     -0.006120      0.005336
     -1.23974      6.41756     10.00662         0.013951     -0.002401      0.006024
     -2.46520      8.55777      9.95991         0.004955     -0.002860     -0.002426
      4.93932      0.00275      9.94501         0.011535     -0.008042     -0.000139
      3.70606      2.13645      9.95888         0.014175     -0.003825      0.001892
      2.47377      4.25803     10.07592         0.003697     -0.003359      0.018640
      1.22115      6.42946     10.22593         0.014038     -0.008105     -0.025712
      0.00101      8.56660     10.00662         0.009055     -0.010881      0.006024
      7.40914      0.00487      9.94505         0.011537     -0.008197      0.001002
      6.17494      2.14213      9.94677         0.013218     -0.004231     -0.003244
      4.94308      4.28060      9.99751         0.008725     -0.005037     -0.010427
      3.72797      6.43037     10.07592         0.004758     -0.001522      0.018640
      2.47181      8.56631      9.99733         0.010274     -0.005556      0.005336
      9.88049      0.00447      9.92054         0.007245     -0.004179     -0.002887
      8.64465      2.14350      9.92793         0.008530     -0.004925     -0.004983
      7.41098      4.28302      9.94677         0.010273     -0.009332     -0.003244
      6.18146      6.42397      9.95888         0.010400     -0.010363      0.001892
      4.94469      8.56262      9.94384         0.015973     -0.000544     -0.004380
      0.00005      1.42550      9.92054        -0.007245      0.004179     -0.002887
     -1.23557      3.56490      9.94384        -0.015973      0.000544     -0.004380
     -2.47234      5.70355      9.95888        -0.010400      0.010363      0.001892
     -3.70187      7.84450      9.94677        -0.010273      0.009332     -0.003244
     -4.93554      9.98402      9.92793        -0.008530      0.004925     -0.004983
      2.47139      1.42510      9.94505        -0.011537      0.008197      0.001002
      1.23730      3.56122      9.99733        -0.010274      0.005556      0.005336
     -0.01885      5.69715     10.07592        -0.004758      0.001522      0.018640
     -1.23397      7.84692      9.99751        -0.008725      0.005037     -0.010427
     -2.46582      9.98539      9.94677        -0.013218      0.004231     -0.003244
      4.94122      1.42721      9.94501        -0.011535      0.008042     -0.000139
      3.70810      3.56092     10.00662        -0.009055      0.010881      0.006024
      2.48796      5.69806     10.22593        -0.014038      0.008105     -0.025712
      1.23535      7.86949     10.07592        -0.003697      0.003359      0.018640
      0.00306      9.99107      9.95888        -0.014175      0.003825      0.001892
      7.40968      1.43104      9.93582        -0.010448      0.004446     -0.003896
      6.17432      3.56975      9.95991        -0.004955      0.002860     -0.002426
      4.94885      5.70996     10.00662        -0.013951      0.002401      0.006024
      3.71320      7.84959      9.99733        -0.009949      0.006120      0.005336
      2.47356      9.98932      9.94384        -0.008457      0.013561     -0.004380
      9.88009      1.43022      9.91691        -0.010822      0.006248     -0.001932
      8.64418      3.56925      9.93582        -0.009074      0.006826     -0.003896
      7.41326      5.70891      9.94501        -0.012732      0.005969     -0.000139
      6.18017      7.84890      9.94505        -0.012868      0.005893      0.001002
      4.94415      9.98895      9.92054        -0.007241      0.004185     -0.002887
 -----------------------------------------------------------------------------------
    total drift:                               -0.001822      0.000303     -0.003321


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




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


    WAVPRE:  VPU time    1.96: CPU time    1.97
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  188.62: CPU time   94.53
     LOOP+:  VPU time11454.75: CPU time 5906.32


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


    POTLOK:  VPU time    9.22: CPU time    9.15
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1821.78: CPU time  941.52
 BZINTS: Fermi energy: -2.804309;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.63: CPU time   56.92
    MIXING:  VPU time    0.16: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1944.20: CPU time 1008.12

 eigenvalue-minimisations  :  6088
 total energy-change (2. order) :-0.4703391E+03  (-0.5890837E-02)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1156341 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.87944E-02    rms(broyden)= 0.87917E-02
  rms(prec ) = 0.95046E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33935.04143793
  -1/2 Hartree   DENC   =    -40891.12697445
  -V(xc)+E(xc)   XCENC  =       726.68402593
  PAW double counting   =      4080.52296681    -4117.18902886
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.71140446
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33912350 eV

  energy without entropy =     -470.33912350  energy(sigma->0) =     -470.33912350


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




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


    POTLOK:  VPU time    9.04: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1966.80: CPU time 1017.59
 BZINTS: Fermi energy: -2.823627;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.45: CPU time   57.70
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2090.87: CPU time 1084.88

 eigenvalue-minimisations  :  6728
 total energy-change (2. order) : 0.9016871E-04  (-0.1508666E-03)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1148255 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.48559E-02    rms(broyden)= 0.48555E-02
  rms(prec ) = 0.51933E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6901
  1.6901

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33935.04143793
  -1/2 Hartree   DENC   =    -40891.05909286
  -V(xc)+E(xc)   XCENC  =       726.68265364
  PAW double counting   =      4080.46939086    -4117.13108331
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.78219320
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33903333 eV

  energy without entropy =     -470.33903333  energy(sigma->0) =     -470.33903333


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




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


    POTLOK:  VPU time    9.05: CPU time    9.06
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1480.13: CPU time  762.96
 BZINTS: Fermi energy: -2.821303;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1489.57: CPU time  772.39

 eigenvalue-minimisations  :  4512
 total energy-change (2. order) : 0.6726878E-04  (-0.1553615E-04)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1148255 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33935.04143793
  -1/2 Hartree   DENC   =    -40890.98555444
  -V(xc)+E(xc)   XCENC  =       726.68001119
  PAW double counting   =      4080.27296493    -4116.93158167
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.85609761
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33896606 eV

  energy without entropy =     -470.33896606  energy(sigma->0) =     -470.33896606


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




 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 -57.8099       2 -41.9923       3 -42.1052       4 -57.9936       5 -57.9904
       6 -57.9917       7 -57.9915       8 -57.9915       9 -57.9915      10 -57.9977
      11 -58.0265      12 -58.0087      13 -58.0005      14 -57.9915      15 -57.9983
      16 -58.1531      17 -58.5622      18 -58.0087      19 -57.9917      20 -57.9931
      21 -58.0087      22 -58.1531      23 -58.0265      24 -57.9904      25 -57.9860
      26 -57.9931      27 -57.9984      28 -57.9977      29 -57.9903      30 -57.9976
      31 -57.9982      32 -57.9930      33 -57.9859      34 -57.9916      35 -58.0264
      36 -58.1530      37 -58.0086      38 -57.9930      39 -57.9914      40 -58.0086
      41 -58.5621      42 -58.1530      43 -57.9983      44 -57.9914      45 -58.0004
      46 -58.0086      47 -58.0265      48 -57.9976      49 -57.9935      50 -57.9914
      51 -57.9914      52 -57.9916      53 -57.9903
 
 
 
 E-fermi :  -2.8213     XC(G=0):  -2.3591     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     -22.0791      1.00000
      2     -21.2453      1.00000
      3     -21.1353      1.00000
      4     -21.1234      1.00000
      5     -21.1159      1.00000
      6     -21.0998      1.00000
      7     -21.0977      1.00000
      8     -19.3810      1.00000
      9     -19.3026      1.00000
     10     -19.2952      1.00000
     11     -19.2876      1.00000
     12     -19.2697      1.00000
     13     -19.2653      1.00000
     14     -18.4718      1.00000
     15     -18.4140      1.00000
     16     -18.4058      1.00000
     17     -18.3814      1.00000
     18     -18.3752      1.00000
     19     -18.3702      1.00000
     20     -16.3367      1.00000
     21     -16.2588      1.00000
     22     -16.2571      1.00000
     23     -16.2422      1.00000
     24     -16.2291      1.00000
     25     -16.2272      1.00000
     26     -15.3085      1.00000
     27     -15.2646      1.00000
     28     -15.2397      1.00000
     29     -15.2319      1.00000
     30     -15.2261      1.00000
     31     -15.2164      1.00000
     32     -13.9635      1.00000
     33     -13.9257      1.00000
     34     -13.9002      1.00000
     35     -13.8969      1.00000
     36     -13.8874      1.00000
     37     -13.8771      1.00000
     38     -11.7466      1.00000
     39     -11.5641      1.00000
     40     -11.5305      1.00000
     41     -11.5248      1.00000
     42     -11.5223      1.00000
     43     -11.5206      1.00000
     44     -11.4389      1.00000
     45     -11.4312      1.00000
     46     -11.4132      1.00000
     47     -11.3931      1.00000
     48     -11.3899      1.00000
     49     -11.3852      1.00000
     50     -11.1358      1.00000
     51     -10.2576      1.00000
     52     -10.0700      1.00000
     53     -10.0613      1.00000
     54     -10.0408      1.00000
     55     -10.0402      1.00000
     56     -10.0215      1.00000
     57      -9.9988      1.00000
     58      -9.4115      1.00000
     59      -9.1382      1.00000
     60      -9.0956      1.00000
     61      -9.0539      1.00000
     62      -9.0388      1.00000
     63      -9.0348      1.00000
     64      -8.8503      1.00000
     65      -8.7845      1.00000
     66      -8.7777      1.00000
     67      -8.7700      1.00000
     68      -8.7602      1.00000
     69      -8.7398      1.00000
     70      -8.7343      1.00000
     71      -8.7328      1.00000
     72      -8.7288      1.00000
     73      -8.7114      1.00000
     74      -8.6906      1.00000
     75      -8.6895      1.00000
     76      -7.3969      1.00000
     77      -7.2355      1.00000
     78      -7.1805      1.00000
     79      -7.1509      1.00000
     80      -7.1085      1.00000
     81      -7.1061      1.00000
     82      -7.0854      1.00000
     83      -7.0803      1.00000
     84      -6.9399      1.00000
     85      -6.9295      1.00000
     86      -6.9226      1.00000
     87      -6.9147      1.00000
     88      -6.3298      1.00000
     89      -6.2894      1.00000
     90      -6.0981      1.00000
     91      -6.0691      1.00000
     92      -6.0322      1.00000
     93      -6.0295      1.00000
     94      -5.6539      1.00000
     95      -5.6099      1.00000
     96      -4.9857      1.00000
     97      -4.6195      1.00000
     98      -4.2671      1.00000
     99      -4.2539      1.00000
    100      -4.0681      1.00000
    101      -4.0658      1.00000
    102      -4.0176      1.00000
    103      -3.8772      1.00000
    104      -3.5694      1.00000
    105      -3.4678      1.00000
    106      -3.4296      1.00000
    107      -1.8992      0.00000
    108      -1.2894      0.00000
    109      -1.2652      0.00000
    110      -1.2608      0.00000
    111      -1.2527      0.00000
    112      -1.2158      0.00000
    113      -1.0464      0.00000
    114       0.3637      0.00000
    115       0.4581      0.00000
    116       0.5318      0.00000
    117       0.5694      0.00000
    118       0.5876      0.00000
    119       0.5880      0.00000
    120       0.7571      0.00000
    121       1.2503      0.00000
    122       1.3221      0.00000
    123       1.3277      0.00000
    124       1.6531      0.00000
    125       1.9284      0.00000
    126       1.9328      0.00000
    127       1.9491      0.00000
    128       2.0201      0.00000
    129       2.1715      0.00000
    130       2.2906      0.00000
    131       2.2935      0.00000
    132       2.2944      0.00000
    133       2.2982      0.00000
    134       2.3042      0.00000
    135       2.3420      0.00000
    136       2.4053      0.00000
    137       2.5186      0.00000
    138       2.6583      0.00000
    139       2.6648      0.00000
    140       2.7097      0.00000
    141       2.7525      0.00000
    142       2.8418      0.00000
    143       2.8560      0.00000
    144       2.9924      0.00000
    145       2.9978      0.00000
    146       3.0096      0.00000
    147       3.0212      0.00000
    148       3.2735      0.00000
    149       3.4695      0.00000
    150       3.5914      0.00000
    151       3.7513      0.00000
    152       3.7600      0.00000
    153       3.9055      0.00000
    154       3.9206      0.00000
    155       3.9386      0.00000
    156       3.9779      0.00000
    157       4.1708      0.00000
    158       4.1771      0.00000
    159       4.3171      0.00000
    160       4.3265      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0421      1.00000
      2     -21.4826      1.00000
      3     -21.3008      1.00000
      4     -21.2679      1.00000
      5     -20.9318      1.00000
      6     -20.8941      1.00000
      7     -20.7196      1.00000
      8     -19.8288      1.00000
      9     -19.7889      1.00000
     10     -19.2801      1.00000
     11     -19.2501      1.00000
     12     -19.0812      1.00000
     13     -18.7582      1.00000
     14     -18.7227      1.00000
     15     -18.7106      1.00000
     16     -18.6987      1.00000
     17     -18.0335      1.00000
     18     -18.0091      1.00000
     19     -17.6852      1.00000
     20     -16.7465      1.00000
     21     -16.6911      1.00000
     22     -16.6169      1.00000
     23     -16.6064      1.00000
     24     -16.1444      1.00000
     25     -16.1255      1.00000
     26     -15.2945      1.00000
     27     -15.2657      1.00000
     28     -14.9402      1.00000
     29     -14.8999      1.00000
     30     -14.8422      1.00000
     31     -14.7623      1.00000
     32     -14.7358      1.00000
     33     -14.3764      1.00000
     34     -14.3576      1.00000
     35     -13.4133      1.00000
     36     -13.3870      1.00000
     37     -12.9073      1.00000
     38     -12.3058      1.00000
     39     -12.2533      1.00000
     40     -12.1278      1.00000
     41     -12.1063      1.00000
     42     -11.8259      1.00000
     43     -11.7747      1.00000
     44     -11.4423      1.00000
     45     -11.3517      1.00000
     46     -11.2039      1.00000
     47     -10.9023      1.00000
     48     -10.8913      1.00000
     49     -10.6854      1.00000
     50     -10.6722      1.00000
     51     -10.5947      1.00000
     52     -10.5703      1.00000
     53     -10.1912      1.00000
     54      -9.8275      1.00000
     55      -9.8189      1.00000
     56      -9.7714      1.00000
     57      -9.5759      1.00000
     58      -9.4011      1.00000
     59      -9.3698      1.00000
     60      -9.3101      1.00000
     61      -9.2832      1.00000
     62      -9.2519      1.00000
     63      -9.2027      1.00000
     64      -8.9824      1.00000
     65      -8.9758      1.00000
     66      -8.9286      1.00000
     67      -8.8834      1.00000
     68      -8.8173      1.00000
     69      -8.7821      1.00000
     70      -8.7722      1.00000
     71      -8.6102      1.00000
     72      -8.5476      1.00000
     73      -8.3000      1.00000
     74      -8.2676      1.00000
     75      -7.7818      1.00000
     76      -7.7207      1.00000
     77      -7.5669      1.00000
     78      -7.5358      1.00000
     79      -7.4351      1.00000
     80      -7.4263      1.00000
     81      -7.0735      1.00000
     82      -7.0476      1.00000
     83      -7.0195      1.00000
     84      -6.9823      1.00000
     85      -6.7924      1.00000
     86      -6.6985      1.00000
     87      -6.5530      1.00000
     88      -6.4662      1.00000
     89      -6.3661      1.00000
     90      -6.3049      1.00000
     91      -5.8421      1.00000
     92      -5.8137      1.00000
     93      -5.7990      1.00000
     94      -5.6903      1.00000
     95      -5.4775      1.00000
     96      -5.0495      1.00000
     97      -4.7413      1.00000
     98      -4.4583      1.00000
     99      -4.3723      1.00000
    100      -4.2105      1.00000
    101      -4.1663      1.00000
    102      -4.0190      1.00000
    103      -3.8288      1.00000
    104      -3.5256      1.00000
    105      -3.4573      1.00000
    106      -3.4047      1.00000
    107      -1.9187      0.00000
    108      -1.4346      0.00000
    109      -1.3145      0.00000
    110      -1.0118      0.00000
    111      -0.9751      0.00000
    112      -0.9589      0.00000
    113      -0.9111      0.00000
    114      -0.3110      0.00000
    115       0.0594      0.00000
    116       0.1024      0.00000
    117       0.7579      0.00000
    118       0.8737      0.00000
    119       1.0116      0.00000
    120       1.0785      0.00000
    121       1.2835      0.00000
    122       1.3639      0.00000
    123       1.4264      0.00000
    124       1.4950      0.00000
    125       1.5618      0.00000
    126       1.6736      0.00000
    127       1.7615      0.00000
    128       1.9634      0.00000
    129       1.9830      0.00000
    130       2.1177      0.00000
    131       2.2000      0.00000
    132       2.2581      0.00000
    133       2.3323      0.00000
    134       2.3712      0.00000
    135       2.4190      0.00000
    136       2.5318      0.00000
    137       2.7068      0.00000
    138       2.7358      0.00000
    139       2.7720      0.00000
    140       2.8249      0.00000
    141       2.8787      0.00000
    142       3.0550      0.00000
    143       3.1160      0.00000
    144       3.1208      0.00000
    145       3.1559      0.00000
    146       3.1838      0.00000
    147       3.2395      0.00000
    148       3.4195      0.00000
    149       3.4682      0.00000
    150       3.4923      0.00000
    151       3.5935      0.00000
    152       3.6018      0.00000
    153       3.7858      0.00000
    154       3.8540      0.00000
    155       3.9238      0.00000
    156       4.0250      0.00000
    157       4.1223      0.00000
    158       4.1385      0.00000
    159       4.1960      0.00000
    160       4.2959      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9337      1.00000
      2     -21.7349      1.00000
      3     -21.3773      1.00000
      4     -21.3424      1.00000
      5     -20.6384      1.00000
      6     -20.5978      1.00000
      7     -20.2753      1.00000
      8     -20.2347      1.00000
      9     -20.2260      1.00000
     10     -19.6943      1.00000
     11     -19.1760      1.00000
     12     -19.1431      1.00000
     13     -18.9770      1.00000
     14     -18.9580      1.00000
     15     -18.1157      1.00000
     16     -18.0718      1.00000
     17     -17.5996      1.00000
     18     -17.5711      1.00000
     19     -17.4278      1.00000
     20     -17.3873      1.00000
     21     -17.1106      1.00000
     22     -17.0899      1.00000
     23     -17.0092      1.00000
     24     -16.1409      1.00000
     25     -16.1212      1.00000
     26     -15.6246      1.00000
     27     -15.0958      1.00000
     28     -15.0679      1.00000
     29     -14.7781      1.00000
     30     -14.7529      1.00000
     31     -14.5430      1.00000
     32     -14.5093      1.00000
     33     -13.9587      1.00000
     34     -13.9238      1.00000
     35     -13.1157      1.00000
     36     -13.0720      1.00000
     37     -12.8687      1.00000
     38     -12.8384      1.00000
     39     -12.6453      1.00000
     40     -12.6297      1.00000
     41     -12.3097      1.00000
     42     -12.2765      1.00000
     43     -11.8777      1.00000
     44     -11.3717      1.00000
     45     -11.2083      1.00000
     46     -11.1549      1.00000
     47     -10.9617      1.00000
     48     -10.9514      1.00000
     49     -10.8089      1.00000
     50     -10.3524      1.00000
     51     -10.3334      1.00000
     52     -10.0950      1.00000
     53      -9.9871      1.00000
     54      -9.9836      1.00000
     55      -9.8439      1.00000
     56      -9.7871      1.00000
     57      -9.7822      1.00000
     58      -9.4644      1.00000
     59      -9.4412      1.00000
     60      -9.4014      1.00000
     61      -9.3723      1.00000
     62      -9.3496      1.00000
     63      -9.3234      1.00000
     64      -9.0335      1.00000
     65      -9.0188      1.00000
     66      -8.9904      1.00000
     67      -8.7029      1.00000
     68      -8.6315      1.00000
     69      -8.5452      1.00000
     70      -8.4768      1.00000
     71      -8.2762      1.00000
     72      -8.1906      1.00000
     73      -8.0704      1.00000
     74      -8.0554      1.00000
     75      -8.0118      1.00000
     76      -7.9578      1.00000
     77      -7.9324      1.00000
     78      -7.9283      1.00000
     79      -7.9068      1.00000
     80      -7.4686      1.00000
     81      -7.0698      1.00000
     82      -7.0293      1.00000
     83      -7.0191      1.00000
     84      -6.9190      1.00000
     85      -6.8948      1.00000
     86      -6.6644      1.00000
     87      -6.6551      1.00000
     88      -6.3068      1.00000
     89      -6.2408      1.00000
     90      -5.9766      1.00000
     91      -5.9103      1.00000
     92      -5.7339      1.00000
     93      -5.5217      1.00000
     94      -5.3940      1.00000
     95      -5.2319      1.00000
     96      -5.0662      1.00000
     97      -5.0014      1.00000
     98      -4.9021      1.00000
     99      -4.9001      1.00000
    100      -4.3197      1.00000
    101      -4.1620      1.00000
    102      -4.0613      1.00000
    103      -3.7730      1.00000
    104      -3.5607      1.00000
    105      -3.3590      1.00000
    106      -3.3490      1.00000
    107      -1.9429      0.00000
    108      -1.5318      0.00000
    109      -1.3416      0.00000
    110      -0.8289      0.00000
    111      -0.7065      0.00000
    112      -0.6634      0.00000
    113      -0.3474      0.00000
    114      -0.3128      0.00000
    115      -0.3038      0.00000
    116      -0.2836      0.00000
    117       0.4540      0.00000
    118       0.5385      0.00000
    119       0.8205      0.00000
    120       1.0776      0.00000
    121       1.1338      0.00000
    122       1.4131      0.00000
    123       1.5048      0.00000
    124       1.5547      0.00000
    125       1.6035      0.00000
    126       1.7059      0.00000
    127       1.8672      0.00000
    128       1.8916      0.00000
    129       1.9410      0.00000
    130       2.0484      0.00000
    131       2.0935      0.00000
    132       2.1930      0.00000
    133       2.3507      0.00000
    134       2.5159      0.00000
    135       2.6204      0.00000
    136       2.6541      0.00000
    137       2.7068      0.00000
    138       2.7544      0.00000
    139       2.8988      0.00000
    140       2.9660      0.00000
    141       3.0286      0.00000
    142       3.1959      0.00000
    143       3.2241      0.00000
    144       3.2536      0.00000
    145       3.3706      0.00000
    146       3.4115      0.00000
    147       3.4682      0.00000
    148       3.5381      0.00000
    149       3.6177      0.00000
    150       3.6365      0.00000
    151       3.6793      0.00000
    152       3.6985      0.00000
    153       3.8229      0.00000
    154       3.8941      0.00000
    155       3.9179      0.00000
    156       3.9368      0.00000
    157       3.9885      0.00000
    158       4.0179      0.00000
    159       4.0911      0.00000
    160       4.1010      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9690      1.00000
      2     -21.6105      1.00000
      3     -21.5612      1.00000
      4     -21.0373      1.00000
      5     -21.0135      1.00000
      6     -20.4909      1.00000
      7     -20.4429      1.00000
      8     -20.2831      1.00000
      9     -19.7362      1.00000
     10     -19.7346      1.00000
     11     -19.3782      1.00000
     12     -19.3565      1.00000
     13     -18.6580      1.00000
     14     -18.6543      1.00000
     15     -18.3051      1.00000
     16     -18.2930      1.00000
     17     -18.1229      1.00000
     18     -17.3525      1.00000
     19     -17.2909      1.00000
     20     -17.2783      1.00000
     21     -17.2513      1.00000
     22     -16.7888      1.00000
     23     -16.7738      1.00000
     24     -16.6304      1.00000
     25     -15.6662      1.00000
     26     -15.6075      1.00000
     27     -15.2517      1.00000
     28     -15.2411      1.00000
     29     -14.9718      1.00000
     30     -14.5299      1.00000
     31     -14.4993      1.00000
     32     -14.2502      1.00000
     33     -14.2101      1.00000
     34     -13.8415      1.00000
     35     -13.8346      1.00000
     36     -12.8140      1.00000
     37     -12.7561      1.00000
     38     -12.7147      1.00000
     39     -12.6910      1.00000
     40     -12.3857      1.00000
     41     -12.3773      1.00000
     42     -12.0079      1.00000
     43     -11.9819      1.00000
     44     -11.4440      1.00000
     45     -11.3086      1.00000
     46     -11.2455      1.00000
     47     -11.1262      1.00000
     48     -10.6075      1.00000
     49     -10.5931      1.00000
     50     -10.3023      1.00000
     51     -10.2894      1.00000
     52     -10.1742      1.00000
     53     -10.1730      1.00000
     54     -10.1116      1.00000
     55     -10.0991      1.00000
     56     -10.0176      1.00000
     57      -9.7103      1.00000
     58      -9.5818      1.00000
     59      -9.2794      1.00000
     60      -9.2215      1.00000
     61      -9.1526      1.00000
     62      -9.0855      1.00000
     63      -9.0633      1.00000
     64      -9.0406      1.00000
     65      -8.9987      1.00000
     66      -8.9682      1.00000
     67      -8.8643      1.00000
     68      -8.8314      1.00000
     69      -8.7846      1.00000
     70      -8.5388      1.00000
     71      -8.5325      1.00000
     72      -8.3976      1.00000
     73      -8.2793      1.00000
     74      -8.1253      1.00000
     75      -7.8846      1.00000
     76      -7.8476      1.00000
     77      -7.6008      1.00000
     78      -7.5317      1.00000
     79      -7.5007      1.00000
     80      -7.4992      1.00000
     81      -7.3855      1.00000
     82      -7.3744      1.00000
     83      -7.1319      1.00000
     84      -7.0763      1.00000
     85      -6.6056      1.00000
     86      -6.5835      1.00000
     87      -6.4813      1.00000
     88      -6.3529      1.00000
     89      -6.1134      1.00000
     90      -6.0500      1.00000
     91      -5.9803      1.00000
     92      -5.9017      1.00000
     93      -5.7314      1.00000
     94      -5.3399      1.00000
     95      -5.1650      1.00000
     96      -5.1259      1.00000
     97      -5.0538      1.00000
     98      -4.9011      1.00000
     99      -4.4524      1.00000
    100      -4.3959      1.00000
    101      -4.1602      1.00000
    102      -4.0372      1.00000
    103      -3.9399      1.00000
    104      -3.5541      1.00000
    105      -3.4898      1.00000
    106      -3.0606      1.00000
    107      -2.1225      0.00000
    108      -1.6028      0.00000
    109      -0.9404      0.00000
    110      -0.9069      0.00000
    111      -0.8426      0.00000
    112      -0.6362      0.00000
    113      -0.6272      0.00000
    114      -0.4964      0.00000
    115      -0.4836      0.00000
    116       0.4874      0.00000
    117       0.4907      0.00000
    118       0.5877      0.00000
    119       0.7897      0.00000
    120       1.0280      0.00000
    121       1.0831      0.00000
    122       1.2914      0.00000
    123       1.3021      0.00000
    124       1.4715      0.00000
    125       1.6344      0.00000
    126       1.7156      0.00000
    127       1.8354      0.00000
    128       2.0083      0.00000
    129       2.0564      0.00000
    130       2.0908      0.00000
    131       2.1675      0.00000
    132       2.3015      0.00000
    133       2.3438      0.00000
    134       2.4489      0.00000
    135       2.5448      0.00000
    136       2.7432      0.00000
    137       2.8008      0.00000
    138       2.8403      0.00000
    139       2.8805      0.00000
    140       2.9035      0.00000
    141       3.0494      0.00000
    142       3.0517      0.00000
    143       3.1226      0.00000
    144       3.1649      0.00000
    145       3.2543      0.00000
    146       3.3019      0.00000
    147       3.3678      0.00000
    148       3.4801      0.00000
    149       3.5812      0.00000
    150       3.5994      0.00000
    151       3.6743      0.00000
    152       3.6940      0.00000
    153       3.8012      0.00000
    154       3.8950      0.00000
    155       3.9529      0.00000
    156       3.9745      0.00000
    157       4.0015      0.00000
    158       4.0903      0.00000
    159       4.1670      0.00000
    160       4.1704      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8532      1.00000
      2     -21.7805      1.00000
      3     -21.6179      1.00000
      4     -21.0634      1.00000
      5     -20.7115      1.00000
      6     -20.6698      1.00000
      7     -20.1634      1.00000
      8     -20.1171      1.00000
      9     -19.9623      1.00000
     10     -19.9324      1.00000
     11     -19.6151      1.00000
     12     -19.5575      1.00000
     13     -18.5441      1.00000
     14     -18.4807      1.00000
     15     -18.0265      1.00000
     16     -17.9619      1.00000
     17     -17.8244      1.00000
     18     -17.7960      1.00000
     19     -17.4977      1.00000
     20     -17.4474      1.00000
     21     -16.9301      1.00000
     22     -16.9042      1.00000
     23     -16.8364      1.00000
     24     -16.7989      1.00000
     25     -15.7646      1.00000
     26     -15.5645      1.00000
     27     -15.5293      1.00000
     28     -15.4991      1.00000
     29     -14.9147      1.00000
     30     -14.2379      1.00000
     31     -14.1915      1.00000
     32     -13.9595      1.00000
     33     -13.6341      1.00000
     34     -13.6246      1.00000
     35     -13.4964      1.00000
     36     -13.4741      1.00000
     37     -13.2961      1.00000
     38     -13.2351      1.00000
     39     -13.0276      1.00000
     40     -12.2917      1.00000
     41     -11.9005      1.00000
     42     -11.8019      1.00000
     43     -11.7530      1.00000
     44     -11.6893      1.00000
     45     -11.3959      1.00000
     46     -11.3244      1.00000
     47     -11.1849      1.00000
     48     -10.8065      1.00000
     49     -10.7892      1.00000
     50     -10.4603      1.00000
     51     -10.4051      1.00000
     52     -10.0297      1.00000
     53      -9.8892      1.00000
     54      -9.8748      1.00000
     55      -9.8347      1.00000
     56      -9.6886      1.00000
     57      -9.6837      1.00000
     58      -9.6466      1.00000
     59      -9.4859      1.00000
     60      -9.4617      1.00000
     61      -9.4442      1.00000
     62      -9.4302      1.00000
     63      -9.1319      1.00000
     64      -9.0367      1.00000
     65      -8.7672      1.00000
     66      -8.7375      1.00000
     67      -8.7051      1.00000
     68      -8.6021      1.00000
     69      -8.5427      1.00000
     70      -8.3972      1.00000
     71      -8.3665      1.00000
     72      -8.2549      1.00000
     73      -8.2159      1.00000
     74      -8.1608      1.00000
     75      -8.1312      1.00000
     76      -8.0416      1.00000
     77      -7.9102      1.00000
     78      -7.7664      1.00000
     79      -7.7044      1.00000
     80      -7.5838      1.00000
     81      -7.4407      1.00000
     82      -7.2895      1.00000
     83      -7.2114      1.00000
     84      -6.6969      1.00000
     85      -6.6081      1.00000
     86      -6.5548      1.00000
     87      -6.4519      1.00000
     88      -6.2428      1.00000
     89      -6.1675      1.00000
     90      -6.1020      1.00000
     91      -5.9065      1.00000
     92      -5.6738      1.00000
     93      -5.5124      1.00000
     94      -5.4692      1.00000
     95      -5.2750      1.00000
     96      -5.1171      1.00000
     97      -4.9388      1.00000
     98      -4.9063      1.00000
     99      -4.9004      1.00000
    100      -4.4895      1.00000
    101      -4.1605      1.00000
    102      -4.0469      1.00000
    103      -3.9271      1.00000
    104      -3.5719      1.00000
    105      -3.5151      1.00000
    106      -2.8584      1.00000
    107      -2.2502      0.00000
    108      -1.6808      0.00000
    109      -0.9092      0.00000
    110      -0.8651      0.00000
    111      -0.8602      0.00000
    112      -0.7855      0.00000
    113      -0.1995      0.00000
    114      -0.1667      0.00000
    115      -0.0192      0.00000
    116       0.0008      0.00000
    117       0.2435      0.00000
    118       0.3244      0.00000
    119       0.7706      0.00000
    120       0.8555      0.00000
    121       0.9362      0.00000
    122       1.0572      0.00000
    123       1.2818      0.00000
    124       1.5165      0.00000
    125       1.5879      0.00000
    126       1.6755      0.00000
    127       1.9549      0.00000
    128       2.0190      0.00000
    129       2.0648      0.00000
    130       2.1171      0.00000
    131       2.3015      0.00000
    132       2.3690      0.00000
    133       2.4810      0.00000
    134       2.5798      0.00000
    135       2.6691      0.00000
    136       2.7601      0.00000
    137       2.9297      0.00000
    138       2.9858      0.00000
    139       3.0315      0.00000
    140       3.0526      0.00000
    141       3.1447      0.00000
    142       3.1622      0.00000
    143       3.1811      0.00000
    144       3.2183      0.00000
    145       3.3277      0.00000
    146       3.3923      0.00000
    147       3.4475      0.00000
    148       3.4666      0.00000
    149       3.4954      0.00000
    150       3.5373      0.00000
    151       3.5700      0.00000
    152       3.5985      0.00000
    153       3.6282      0.00000
    154       3.6932      0.00000
    155       3.7830      0.00000
    156       3.8923      0.00000
    157       3.9453      0.00000
    158       4.0414      0.00000
    159       4.1848      0.00000
    160       4.1990      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9686      1.00000
      2     -21.6165      1.00000
      3     -21.5552      1.00000
      4     -21.0455      1.00000
      5     -21.0040      1.00000
      6     -20.4971      1.00000
      7     -20.4380      1.00000
      8     -20.2835      1.00000
      9     -19.7558      1.00000
     10     -19.7150      1.00000
     11     -19.3851      1.00000
     12     -19.3487      1.00000
     13     -18.6785      1.00000
     14     -18.6349      1.00000
     15     -18.3207      1.00000
     16     -18.2747      1.00000
     17     -18.1249      1.00000
     18     -17.3428      1.00000
     19     -17.3012      1.00000
     20     -17.2728      1.00000
     21     -17.2472      1.00000
     22     -16.8124      1.00000
     23     -16.7574      1.00000
     24     -16.6390      1.00000
     25     -15.6862      1.00000
     26     -15.5779      1.00000
     27     -15.2746      1.00000
     28     -15.2342      1.00000
     29     -14.9420      1.00000
     30     -14.5597      1.00000
     31     -14.4918      1.00000
     32     -14.2482      1.00000
     33     -14.2069      1.00000
     34     -13.8344      1.00000
     35     -13.8241      1.00000
     36     -12.8638      1.00000
     37     -12.7600      1.00000
     38     -12.7003      1.00000
     39     -12.6848      1.00000
     40     -12.4105      1.00000
     41     -12.3612      1.00000
     42     -12.0081      1.00000
     43     -11.9820      1.00000
     44     -11.3763      1.00000
     45     -11.2915      1.00000
     46     -11.2333      1.00000
     47     -11.1809      1.00000
     48     -10.6042      1.00000
     49     -10.5889      1.00000
     50     -10.3398      1.00000
     51     -10.2668      1.00000
     52     -10.2122      1.00000
     53     -10.1662      1.00000
     54     -10.1273      1.00000
     55     -10.0739      1.00000
     56     -10.0244      1.00000
     57      -9.7124      1.00000
     58      -9.5769      1.00000
     59      -9.2914      1.00000
     60      -9.2266      1.00000
     61      -9.1311      1.00000
     62      -9.0925      1.00000
     63      -9.0770      1.00000
     64      -9.0467      1.00000
     65      -9.0066      1.00000
     66      -8.9526      1.00000
     67      -8.8408      1.00000
     68      -8.7984      1.00000
     69      -8.7801      1.00000
     70      -8.5435      1.00000
     71      -8.5278      1.00000
     72      -8.4111      1.00000
     73      -8.2700      1.00000
     74      -8.1548      1.00000
     75      -7.8751      1.00000
     76      -7.8445      1.00000
     77      -7.6338      1.00000
     78      -7.5410      1.00000
     79      -7.5049      1.00000
     80      -7.4523      1.00000
     81      -7.3968      1.00000
     82      -7.3595      1.00000
     83      -7.1628      1.00000
     84      -7.0494      1.00000
     85      -6.6280      1.00000
     86      -6.5820      1.00000
     87      -6.4949      1.00000
     88      -6.3057      1.00000
     89      -6.0994      1.00000
     90      -6.0421      1.00000
     91      -5.9807      1.00000
     92      -5.8742      1.00000
     93      -5.7954      1.00000
     94      -5.4814      1.00000
     95      -5.2689      1.00000
     96      -5.0638      1.00000
     97      -4.9045      1.00000
     98      -4.7689      1.00000
     99      -4.5159      1.00000
    100      -4.4340      1.00000
    101      -4.1739      1.00000
    102      -4.0046      1.00000
    103      -3.8636      1.00000
    104      -3.5955      1.00000
    105      -3.5212      1.00000
    106      -3.1677      1.00000
    107      -1.9282      0.00000
    108      -1.6949      0.00000
    109      -0.9860      0.00000
    110      -0.8974      0.00000
    111      -0.8738      0.00000
    112      -0.6327      0.00000
    113      -0.5833      0.00000
    114      -0.4920      0.00000
    115      -0.4678      0.00000
    116       0.3753      0.00000
    117       0.5319      0.00000
    118       0.5762      0.00000
    119       0.8118      0.00000
    120       1.0910      0.00000
    121       1.0979      0.00000
    122       1.2236      0.00000
    123       1.3533      0.00000
    124       1.4658      0.00000
    125       1.5990      0.00000
    126       1.7393      0.00000
    127       1.8321      0.00000
    128       1.9940      0.00000
    129       2.0645      0.00000
    130       2.0933      0.00000
    131       2.1569      0.00000
    132       2.3409      0.00000
    133       2.3560      0.00000
    134       2.4546      0.00000
    135       2.5050      0.00000
    136       2.7482      0.00000
    137       2.8000      0.00000
    138       2.8401      0.00000
    139       2.8762      0.00000
    140       2.9145      0.00000
    141       3.0323      0.00000
    142       3.0460      0.00000
    143       3.1263      0.00000
    144       3.1643      0.00000
    145       3.2616      0.00000
    146       3.3079      0.00000
    147       3.3785      0.00000
    148       3.4782      0.00000
    149       3.5693      0.00000
    150       3.6070      0.00000
    151       3.6802      0.00000
    152       3.6899      0.00000
    153       3.7975      0.00000
    154       3.9012      0.00000
    155       3.9255      0.00000
    156       3.9820      0.00000
    157       4.0001      0.00000
    158       4.1033      0.00000
    159       4.1314      0.00000
    160       4.1623      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0420      1.00000
      2     -21.4847      1.00000
      3     -21.2965      1.00000
      4     -21.2690      1.00000
      5     -20.9314      1.00000
      6     -20.8963      1.00000
      7     -20.7186      1.00000
      8     -19.8282      1.00000
      9     -19.7909      1.00000
     10     -19.2790      1.00000
     11     -19.2514      1.00000
     12     -19.0778      1.00000
     13     -18.7656      1.00000
     14     -18.7232      1.00000
     15     -18.7063      1.00000
     16     -18.6971      1.00000
     17     -18.0326      1.00000
     18     -18.0116      1.00000
     19     -17.6814      1.00000
     20     -16.7395      1.00000
     21     -16.6934      1.00000
     22     -16.6234      1.00000
     23     -16.6055      1.00000
     24     -16.1577      1.00000
     25     -16.1245      1.00000
     26     -15.2776      1.00000
     27     -15.2598      1.00000
     28     -14.9075      1.00000
     29     -14.8996      1.00000
     30     -14.8758      1.00000
     31     -14.7801      1.00000
     32     -14.7359      1.00000
     33     -14.3722      1.00000
     34     -14.3532      1.00000
     35     -13.4075      1.00000
     36     -13.3815      1.00000
     37     -12.9171      1.00000
     38     -12.3493      1.00000
     39     -12.2499      1.00000
     40     -12.1283      1.00000
     41     -12.1156      1.00000
     42     -11.7816      1.00000
     43     -11.7636      1.00000
     44     -11.3869      1.00000
     45     -11.3589      1.00000
     46     -11.2615      1.00000
     47     -10.8993      1.00000
     48     -10.8942      1.00000
     49     -10.6785      1.00000
     50     -10.6764      1.00000
     51     -10.5960      1.00000
     52     -10.5547      1.00000
     53     -10.1995      1.00000
     54      -9.8762      1.00000
     55      -9.8210      1.00000
     56      -9.7633      1.00000
     57      -9.5687      1.00000
     58      -9.3703      1.00000
     59      -9.3576      1.00000
     60      -9.3249      1.00000
     61      -9.2977      1.00000
     62      -9.2327      1.00000
     63      -9.1978      1.00000
     64      -8.9968      1.00000
     65      -8.9729      1.00000
     66      -8.9144      1.00000
     67      -8.9080      1.00000
     68      -8.8003      1.00000
     69      -8.7920      1.00000
     70      -8.7801      1.00000
     71      -8.6125      1.00000
     72      -8.5378      1.00000
     73      -8.2710      1.00000
     74      -8.2618      1.00000
     75      -7.8208      1.00000
     76      -7.7259      1.00000
     77      -7.5721      1.00000
     78      -7.4985      1.00000
     79      -7.4615      1.00000
     80      -7.4232      1.00000
     81      -7.1395      1.00000
     82      -6.9941      1.00000
     83      -6.9694      1.00000
     84      -6.9377      1.00000
     85      -6.8830      1.00000
     86      -6.6759      1.00000
     87      -6.5611      1.00000
     88      -6.4397      1.00000
     89      -6.3900      1.00000
     90      -6.3079      1.00000
     91      -5.8657      1.00000
     92      -5.7946      1.00000
     93      -5.7669      1.00000
     94      -5.6521      1.00000
     95      -5.5971      1.00000
     96      -5.0449      1.00000
     97      -4.6203      1.00000
     98      -4.5245      1.00000
     99      -4.3643      1.00000
    100      -4.2396      1.00000
    101      -4.1831      1.00000
    102      -3.8321      1.00000
    103      -3.8005      1.00000
    104      -3.7318      1.00000
    105      -3.4521      1.00000
    106      -3.4227      1.00000
    107      -1.8110      0.00000
    108      -1.4361      0.00000
    109      -1.3865      0.00000
    110      -1.0263      0.00000
    111      -1.0018      0.00000
    112      -0.9797      0.00000
    113      -0.8559      0.00000
    114      -0.2700      0.00000
    115       0.0438      0.00000
    116       0.0736      0.00000
    117       0.7418      0.00000
    118       0.9088      0.00000
    119       0.9331      0.00000
    120       1.2036      0.00000
    121       1.2654      0.00000
    122       1.3518      0.00000
    123       1.4294      0.00000
    124       1.4706      0.00000
    125       1.5445      0.00000
    126       1.6816      0.00000
    127       1.7598      0.00000
    128       1.9592      0.00000
    129       1.9785      0.00000
    130       2.1645      0.00000
    131       2.2003      0.00000
    132       2.2296      0.00000
    133       2.3307      0.00000
    134       2.3832      0.00000
    135       2.4198      0.00000
    136       2.5358      0.00000
    137       2.7045      0.00000
    138       2.7328      0.00000
    139       2.7800      0.00000
    140       2.8115      0.00000
    141       2.8688      0.00000
    142       3.0448      0.00000
    143       3.1278      0.00000
    144       3.1441      0.00000
    145       3.1622      0.00000
    146       3.2106      0.00000
    147       3.2262      0.00000
    148       3.4185      0.00000
    149       3.4194      0.00000
    150       3.4906      0.00000
    151       3.5975      0.00000
    152       3.6034      0.00000
    153       3.7809      0.00000
    154       3.8512      0.00000
    155       3.9211      0.00000
    156       3.9972      0.00000
    157       4.1309      0.00000
    158       4.1557      0.00000
    159       4.2027      0.00000
    160       4.3135      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8495      1.00000
      2     -21.7864      1.00000
      3     -21.6157      1.00000
      4     -21.0631      1.00000
      5     -20.7023      1.00000
      6     -20.6794      1.00000
      7     -20.1536      1.00000
      8     -20.1276      1.00000
      9     -19.9491      1.00000
     10     -19.9481      1.00000
     11     -19.6072      1.00000
     12     -19.5623      1.00000
     13     -18.5420      1.00000
     14     -18.4852      1.00000
     15     -17.9986      1.00000
     16     -17.9836      1.00000
     17     -17.8147      1.00000
     18     -17.8092      1.00000
     19     -17.4797      1.00000
     20     -17.4645      1.00000
     21     -16.9341      1.00000
     22     -16.9068      1.00000
     23     -16.8266      1.00000
     24     -16.8005      1.00000
     25     -15.7944      1.00000
     26     -15.5328      1.00000
     27     -15.5310      1.00000
     28     -15.5128      1.00000
     29     -14.8958      1.00000
     30     -14.2203      1.00000
     31     -14.1994      1.00000
     32     -13.9407      1.00000
     33     -13.6714      1.00000
     34     -13.6312      1.00000
     35     -13.4978      1.00000
     36     -13.4829      1.00000
     37     -13.2726      1.00000
     38     -13.2444      1.00000
     39     -13.0325      1.00000
     40     -12.3183      1.00000
     41     -11.8406      1.00000
     42     -11.8263      1.00000
     43     -11.7211      1.00000
     44     -11.6852      1.00000
     45     -11.4175      1.00000
     46     -11.3469      1.00000
     47     -11.1774      1.00000
     48     -10.8031      1.00000
     49     -10.7938      1.00000
     50     -10.4537      1.00000
     51     -10.3979      1.00000
     52     -10.0394      1.00000
     53      -9.8819      1.00000
     54      -9.8730      1.00000
     55      -9.8513      1.00000
     56      -9.7032      1.00000
     57      -9.6661      1.00000
     58      -9.6481      1.00000
     59      -9.4961      1.00000
     60      -9.4706      1.00000
     61      -9.4437      1.00000
     62      -9.4345      1.00000
     63      -9.1233      1.00000
     64      -9.0326      1.00000
     65      -8.7681      1.00000
     66      -8.7330      1.00000
     67      -8.6721      1.00000
     68      -8.6314      1.00000
     69      -8.5354      1.00000
     70      -8.3846      1.00000
     71      -8.3767      1.00000
     72      -8.2373      1.00000
     73      -8.2164      1.00000
     74      -8.1346      1.00000
     75      -8.1341      1.00000
     76      -8.0103      1.00000
     77      -7.9744      1.00000
     78      -7.7684      1.00000
     79      -7.7300      1.00000
     80      -7.6267      1.00000
     81      -7.3736      1.00000
     82      -7.2933      1.00000
     83      -7.1834      1.00000
     84      -6.7425      1.00000
     85      -6.6364      1.00000
     86      -6.5655      1.00000
     87      -6.3078      1.00000
     88      -6.2271      1.00000
     89      -6.1662      1.00000
     90      -6.1323      1.00000
     91      -6.0556      1.00000
     92      -5.6754      1.00000
     93      -5.4880      1.00000
     94      -5.4529      1.00000
     95      -5.3006      1.00000
     96      -5.0919      1.00000
     97      -4.9212      1.00000
     98      -4.9106      1.00000
     99      -4.8765      1.00000
    100      -4.4583      1.00000
    101      -4.1500      1.00000
    102      -4.0224      1.00000
    103      -3.9540      1.00000
    104      -3.5845      1.00000
    105      -3.5330      1.00000
    106      -2.9585      1.00000
    107      -2.1064      0.00000
    108      -1.7303      0.00000
    109      -0.8673      0.00000
    110      -0.8637      0.00000
    111      -0.8563      0.00000
    112      -0.8344      0.00000
    113      -0.1878      0.00000
    114      -0.1726      0.00000
    115      -0.0385      0.00000
    116      -0.0155      0.00000
    117       0.2940      0.00000
    118       0.3003      0.00000
    119       0.7490      0.00000
    120       0.8493      0.00000
    121       0.9888      0.00000
    122       1.0297      0.00000
    123       1.2436      0.00000
    124       1.5696      0.00000
    125       1.5760      0.00000
    126       1.6533      0.00000
    127       1.9622      0.00000
    128       2.0227      0.00000
    129       2.0634      0.00000
    130       2.1282      0.00000
    131       2.3008      0.00000
    132       2.3691      0.00000
    133       2.5390      0.00000
    134       2.5552      0.00000
    135       2.6535      0.00000
    136       2.8266      0.00000
    137       2.9220      0.00000
    138       2.9551      0.00000
    139       3.0242      0.00000
    140       3.0533      0.00000
    141       3.1158      0.00000
    142       3.1588      0.00000
    143       3.1945      0.00000
    144       3.2119      0.00000
    145       3.3311      0.00000
    146       3.3826      0.00000
    147       3.4310      0.00000
    148       3.4693      0.00000
    149       3.5036      0.00000
    150       3.5372      0.00000
    151       3.5590      0.00000
    152       3.5752      0.00000
    153       3.6282      0.00000
    154       3.6792      0.00000
    155       3.7998      0.00000
    156       3.9118      0.00000
    157       3.9453      0.00000
    158       4.0426      0.00000
    159       4.1727      0.00000
    160       4.1947      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9327      1.00000
      2     -21.7375      1.00000
      3     -21.3737      1.00000
      4     -21.3438      1.00000
      5     -20.6369      1.00000
      6     -20.5996      1.00000
      7     -20.2672      1.00000
      8     -20.2395      1.00000
      9     -20.2305      1.00000
     10     -19.6956      1.00000
     11     -19.1714      1.00000
     12     -19.1433      1.00000
     13     -18.9762      1.00000
     14     -18.9618      1.00000
     15     -18.1095      1.00000
     16     -18.0743      1.00000
     17     -17.5980      1.00000
     18     -17.5740      1.00000
     19     -17.4259      1.00000
     20     -17.3888      1.00000
     21     -17.1120      1.00000
     22     -17.0902      1.00000
     23     -17.0047      1.00000
     24     -16.1560      1.00000
     25     -16.1196      1.00000
     26     -15.6416      1.00000
     27     -15.0807      1.00000
     28     -15.0620      1.00000
     29     -14.7698      1.00000
     30     -14.7475      1.00000
     31     -14.5143      1.00000
     32     -14.5080      1.00000
     33     -13.9903      1.00000
     34     -13.9233      1.00000
     35     -13.1487      1.00000
     36     -13.0702      1.00000
     37     -12.8571      1.00000
     38     -12.8322      1.00000
     39     -12.6616      1.00000
     40     -12.6399      1.00000
     41     -12.2922      1.00000
     42     -12.2691      1.00000
     43     -11.8867      1.00000
     44     -11.2733      1.00000
     45     -11.2461      1.00000
     46     -11.1768      1.00000
     47     -10.9790      1.00000
     48     -10.9366      1.00000
     49     -10.8132      1.00000
     50     -10.3742      1.00000
     51     -10.3340      1.00000
     52     -10.0936      1.00000
     53      -9.9871      1.00000
     54      -9.9870      1.00000
     55      -9.8549      1.00000
     56      -9.7949      1.00000
     57      -9.7625      1.00000
     58      -9.4817      1.00000
     59      -9.4223      1.00000
     60      -9.3914      1.00000
     61      -9.3781      1.00000
     62      -9.3694      1.00000
     63      -9.3195      1.00000
     64      -9.0383      1.00000
     65      -9.0224      1.00000
     66      -8.9837      1.00000
     67      -8.6556      1.00000
     68      -8.6376      1.00000
     69      -8.5818      1.00000
     70      -8.4576      1.00000
     71      -8.2572      1.00000
     72      -8.1966      1.00000
     73      -8.0977      1.00000
     74      -8.0586      1.00000
     75      -7.9751      1.00000
     76      -7.9689      1.00000
     77      -7.9317      1.00000
     78      -7.9108      1.00000
     79      -7.8981      1.00000
     80      -7.4907      1.00000
     81      -7.2160      1.00000
     82      -7.0273      1.00000
     83      -6.9426      1.00000
     84      -6.8778      1.00000
     85      -6.8223      1.00000
     86      -6.6728      1.00000
     87      -6.6332      1.00000
     88      -6.2836      1.00000
     89      -6.2667      1.00000
     90      -6.1411      1.00000
     91      -5.9437      1.00000
     92      -5.6331      1.00000
     93      -5.5181      1.00000
     94      -5.3930      1.00000
     95      -5.3186      1.00000
     96      -5.0092      1.00000
     97      -4.9741      1.00000
     98      -4.9078      1.00000
     99      -4.8798      1.00000
    100      -4.2454      1.00000
    101      -4.1669      1.00000
    102      -3.9697      1.00000
    103      -3.7927      1.00000
    104      -3.6098      1.00000
    105      -3.5033      1.00000
    106      -3.3599      1.00000
    107      -1.7466      0.00000
    108      -1.5234      0.00000
    109      -1.4834      0.00000
    110      -0.7677      0.00000
    111      -0.7138      0.00000
    112      -0.6990      0.00000
    113      -0.3502      0.00000
    114      -0.3416      0.00000
    115      -0.2955      0.00000
    116      -0.2789      0.00000
    117       0.4672      0.00000
    118       0.5370      0.00000
    119       0.8210      0.00000
    120       1.0678      0.00000
    121       1.1232      0.00000
    122       1.3335      0.00000
    123       1.5313      0.00000
    124       1.5460      0.00000
    125       1.6274      0.00000
    126       1.7235      0.00000
    127       1.8620      0.00000
    128       1.9042      0.00000
    129       1.9439      0.00000
    130       2.0292      0.00000
    131       2.1447      0.00000
    132       2.2670      0.00000
    133       2.3529      0.00000
    134       2.4989      0.00000
    135       2.6216      0.00000
    136       2.6553      0.00000
    137       2.6883      0.00000
    138       2.7568      0.00000
    139       2.8930      0.00000
    140       2.9369      0.00000
    141       3.0286      0.00000
    142       3.1962      0.00000
    143       3.2224      0.00000
    144       3.2512      0.00000
    145       3.3608      0.00000
    146       3.3976      0.00000
    147       3.4674      0.00000
    148       3.5680      0.00000
    149       3.6328      0.00000
    150       3.6356      0.00000
    151       3.6581      0.00000
    152       3.7026      0.00000
    153       3.8250      0.00000
    154       3.8625      0.00000
    155       3.9157      0.00000
    156       3.9178      0.00000
    157       3.9990      0.00000
    158       4.0350      0.00000
    159       4.0846      0.00000
    160       4.0855      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0791      1.00000
      2     -21.2453      1.00000
      3     -21.1353      1.00000
      4     -21.1234      1.00000
      5     -21.1159      1.00000
      6     -21.0998      1.00000
      7     -21.0977      1.00000
      8     -19.3810      1.00000
      9     -19.3026      1.00000
     10     -19.2952      1.00000
     11     -19.2876      1.00000
     12     -19.2697      1.00000
     13     -19.2653      1.00000
     14     -18.4718      1.00000
     15     -18.4140      1.00000
     16     -18.4058      1.00000
     17     -18.3814      1.00000
     18     -18.3752      1.00000
     19     -18.3702      1.00000
     20     -16.3367      1.00000
     21     -16.2588      1.00000
     22     -16.2571      1.00000
     23     -16.2422      1.00000
     24     -16.2291      1.00000
     25     -16.2272      1.00000
     26     -15.3085      1.00000
     27     -15.2646      1.00000
     28     -15.2397      1.00000
     29     -15.2319      1.00000
     30     -15.2261      1.00000
     31     -15.2164      1.00000
     32     -13.9635      1.00000
     33     -13.9257      1.00000
     34     -13.9002      1.00000
     35     -13.8969      1.00000
     36     -13.8874      1.00000
     37     -13.8771      1.00000
     38     -11.7466      1.00000
     39     -11.5641      1.00000
     40     -11.5305      1.00000
     41     -11.5248      1.00000
     42     -11.5223      1.00000
     43     -11.5206      1.00000
     44     -11.4389      1.00000
     45     -11.4312      1.00000
     46     -11.4132      1.00000
     47     -11.3931      1.00000
     48     -11.3899      1.00000
     49     -11.3852      1.00000
     50     -11.1358      1.00000
     51     -10.2576      1.00000
     52     -10.0700      1.00000
     53     -10.0613      1.00000
     54     -10.0408      1.00000
     55     -10.0402      1.00000
     56     -10.0215      1.00000
     57      -9.9988      1.00000
     58      -9.4115      1.00000
     59      -9.1382      1.00000
     60      -9.0956      1.00000
     61      -9.0539      1.00000
     62      -9.0388      1.00000
     63      -9.0348      1.00000
     64      -8.8503      1.00000
     65      -8.7845      1.00000
     66      -8.7777      1.00000
     67      -8.7700      1.00000
     68      -8.7602      1.00000
     69      -8.7398      1.00000
     70      -8.7343      1.00000
     71      -8.7328      1.00000
     72      -8.7288      1.00000
     73      -8.7114      1.00000
     74      -8.6906      1.00000
     75      -8.6895      1.00000
     76      -7.3969      1.00000
     77      -7.2355      1.00000
     78      -7.1805      1.00000
     79      -7.1509      1.00000
     80      -7.1085      1.00000
     81      -7.1061      1.00000
     82      -7.0854      1.00000
     83      -7.0803      1.00000
     84      -6.9399      1.00000
     85      -6.9295      1.00000
     86      -6.9226      1.00000
     87      -6.9147      1.00000
     88      -6.3298      1.00000
     89      -6.2894      1.00000
     90      -6.0981      1.00000
     91      -6.0691      1.00000
     92      -6.0322      1.00000
     93      -6.0295      1.00000
     94      -5.6539      1.00000
     95      -5.6099      1.00000
     96      -4.9857      1.00000
     97      -4.6195      1.00000
     98      -4.2671      1.00000
     99      -4.2539      1.00000
    100      -4.0681      1.00000
    101      -4.0658      1.00000
    102      -4.0176      1.00000
    103      -3.8772      1.00000
    104      -3.5694      1.00000
    105      -3.4678      1.00000
    106      -3.4296      1.00000
    107      -1.8992      0.00000
    108      -1.2894      0.00000
    109      -1.2652      0.00000
    110      -1.2608      0.00000
    111      -1.2527      0.00000
    112      -1.2158      0.00000
    113      -1.0464      0.00000
    114       0.3637      0.00000
    115       0.4581      0.00000
    116       0.5318      0.00000
    117       0.5694      0.00000
    118       0.5876      0.00000
    119       0.5880      0.00000
    120       0.7571      0.00000
    121       1.2503      0.00000
    122       1.3221      0.00000
    123       1.3277      0.00000
    124       1.6531      0.00000
    125       1.9284      0.00000
    126       1.9328      0.00000
    127       1.9491      0.00000
    128       2.0201      0.00000
    129       2.1715      0.00000
    130       2.2906      0.00000
    131       2.2935      0.00000
    132       2.2944      0.00000
    133       2.2982      0.00000
    134       2.3042      0.00000
    135       2.3420      0.00000
    136       2.4053      0.00000
    137       2.5186      0.00000
    138       2.6583      0.00000
    139       2.6648      0.00000
    140       2.7097      0.00000
    141       2.7525      0.00000
    142       2.8418      0.00000
    143       2.8560      0.00000
    144       2.9924      0.00000
    145       2.9978      0.00000
    146       3.0096      0.00000
    147       3.0212      0.00000
    148       3.2735      0.00000
    149       3.4695      0.00000
    150       3.5914      0.00000
    151       3.7513      0.00000
    152       3.7600      0.00000
    153       3.9055      0.00000
    154       3.9205      0.00000
    155       3.9385      0.00000
    156       3.9778      0.00000
    157       4.1708      0.00000
    158       4.1771      0.00000
    159       4.3172      0.00000
    160       4.3265      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0421      1.00000
      2     -21.4826      1.00000
      3     -21.3008      1.00000
      4     -21.2679      1.00000
      5     -20.9318      1.00000
      6     -20.8941      1.00000
      7     -20.7196      1.00000
      8     -19.8288      1.00000
      9     -19.7889      1.00000
     10     -19.2801      1.00000
     11     -19.2501      1.00000
     12     -19.0812      1.00000
     13     -18.7582      1.00000
     14     -18.7227      1.00000
     15     -18.7106      1.00000
     16     -18.6987      1.00000
     17     -18.0335      1.00000
     18     -18.0091      1.00000
     19     -17.6852      1.00000
     20     -16.7465      1.00000
     21     -16.6911      1.00000
     22     -16.6169      1.00000
     23     -16.6064      1.00000
     24     -16.1444      1.00000
     25     -16.1255      1.00000
     26     -15.2945      1.00000
     27     -15.2657      1.00000
     28     -14.9402      1.00000
     29     -14.8999      1.00000
     30     -14.8422      1.00000
     31     -14.7623      1.00000
     32     -14.7358      1.00000
     33     -14.3764      1.00000
     34     -14.3576      1.00000
     35     -13.4133      1.00000
     36     -13.3870      1.00000
     37     -12.9073      1.00000
     38     -12.3058      1.00000
     39     -12.2533      1.00000
     40     -12.1278      1.00000
     41     -12.1063      1.00000
     42     -11.8259      1.00000
     43     -11.7747      1.00000
     44     -11.4423      1.00000
     45     -11.3517      1.00000
     46     -11.2039      1.00000
     47     -10.9023      1.00000
     48     -10.8913      1.00000
     49     -10.6854      1.00000
     50     -10.6722      1.00000
     51     -10.5947      1.00000
     52     -10.5703      1.00000
     53     -10.1912      1.00000
     54      -9.8275      1.00000
     55      -9.8189      1.00000
     56      -9.7714      1.00000
     57      -9.5759      1.00000
     58      -9.4011      1.00000
     59      -9.3698      1.00000
     60      -9.3101      1.00000
     61      -9.2832      1.00000
     62      -9.2519      1.00000
     63      -9.2027      1.00000
     64      -8.9824      1.00000
     65      -8.9758      1.00000
     66      -8.9286      1.00000
     67      -8.8834      1.00000
     68      -8.8173      1.00000
     69      -8.7821      1.00000
     70      -8.7722      1.00000
     71      -8.6102      1.00000
     72      -8.5476      1.00000
     73      -8.3000      1.00000
     74      -8.2676      1.00000
     75      -7.7818      1.00000
     76      -7.7207      1.00000
     77      -7.5669      1.00000
     78      -7.5358      1.00000
     79      -7.4351      1.00000
     80      -7.4263      1.00000
     81      -7.0735      1.00000
     82      -7.0476      1.00000
     83      -7.0195      1.00000
     84      -6.9823      1.00000
     85      -6.7924      1.00000
     86      -6.6985      1.00000
     87      -6.5530      1.00000
     88      -6.4662      1.00000
     89      -6.3661      1.00000
     90      -6.3049      1.00000
     91      -5.8421      1.00000
     92      -5.8137      1.00000
     93      -5.7990      1.00000
     94      -5.6903      1.00000
     95      -5.4775      1.00000
     96      -5.0495      1.00000
     97      -4.7413      1.00000
     98      -4.4583      1.00000
     99      -4.3723      1.00000
    100      -4.2105      1.00000
    101      -4.1663      1.00000
    102      -4.0190      1.00000
    103      -3.8288      1.00000
    104      -3.5256      1.00000
    105      -3.4573      1.00000
    106      -3.4047      1.00000
    107      -1.9187      0.00000
    108      -1.4346      0.00000
    109      -1.3145      0.00000
    110      -1.0118      0.00000
    111      -0.9751      0.00000
    112      -0.9589      0.00000
    113      -0.9111      0.00000
    114      -0.3110      0.00000
    115       0.0594      0.00000
    116       0.1024      0.00000
    117       0.7579      0.00000
    118       0.8737      0.00000
    119       1.0116      0.00000
    120       1.0785      0.00000
    121       1.2835      0.00000
    122       1.3639      0.00000
    123       1.4264      0.00000
    124       1.4950      0.00000
    125       1.5618      0.00000
    126       1.6736      0.00000
    127       1.7615      0.00000
    128       1.9634      0.00000
    129       1.9830      0.00000
    130       2.1177      0.00000
    131       2.2000      0.00000
    132       2.2581      0.00000
    133       2.3323      0.00000
    134       2.3712      0.00000
    135       2.4190      0.00000
    136       2.5318      0.00000
    137       2.7068      0.00000
    138       2.7358      0.00000
    139       2.7720      0.00000
    140       2.8249      0.00000
    141       2.8787      0.00000
    142       3.0550      0.00000
    143       3.1160      0.00000
    144       3.1208      0.00000
    145       3.1559      0.00000
    146       3.1838      0.00000
    147       3.2395      0.00000
    148       3.4195      0.00000
    149       3.4682      0.00000
    150       3.4923      0.00000
    151       3.5935      0.00000
    152       3.6018      0.00000
    153       3.7858      0.00000
    154       3.8540      0.00000
    155       3.9238      0.00000
    156       4.0250      0.00000
    157       4.1223      0.00000
    158       4.1384      0.00000
    159       4.1960      0.00000
    160       4.2958      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9337      1.00000
      2     -21.7349      1.00000
      3     -21.3773      1.00000
      4     -21.3424      1.00000
      5     -20.6384      1.00000
      6     -20.5978      1.00000
      7     -20.2753      1.00000
      8     -20.2347      1.00000
      9     -20.2260      1.00000
     10     -19.6943      1.00000
     11     -19.1760      1.00000
     12     -19.1431      1.00000
     13     -18.9770      1.00000
     14     -18.9580      1.00000
     15     -18.1157      1.00000
     16     -18.0718      1.00000
     17     -17.5996      1.00000
     18     -17.5711      1.00000
     19     -17.4278      1.00000
     20     -17.3873      1.00000
     21     -17.1106      1.00000
     22     -17.0899      1.00000
     23     -17.0092      1.00000
     24     -16.1409      1.00000
     25     -16.1212      1.00000
     26     -15.6246      1.00000
     27     -15.0958      1.00000
     28     -15.0679      1.00000
     29     -14.7781      1.00000
     30     -14.7529      1.00000
     31     -14.5430      1.00000
     32     -14.5093      1.00000
     33     -13.9587      1.00000
     34     -13.9238      1.00000
     35     -13.1157      1.00000
     36     -13.0720      1.00000
     37     -12.8687      1.00000
     38     -12.8384      1.00000
     39     -12.6453      1.00000
     40     -12.6297      1.00000
     41     -12.3097      1.00000
     42     -12.2765      1.00000
     43     -11.8777      1.00000
     44     -11.3717      1.00000
     45     -11.2083      1.00000
     46     -11.1549      1.00000
     47     -10.9617      1.00000
     48     -10.9514      1.00000
     49     -10.8089      1.00000
     50     -10.3524      1.00000
     51     -10.3334      1.00000
     52     -10.0950      1.00000
     53      -9.9871      1.00000
     54      -9.9836      1.00000
     55      -9.8439      1.00000
     56      -9.7871      1.00000
     57      -9.7822      1.00000
     58      -9.4644      1.00000
     59      -9.4412      1.00000
     60      -9.4014      1.00000
     61      -9.3723      1.00000
     62      -9.3496      1.00000
     63      -9.3234      1.00000
     64      -9.0335      1.00000
     65      -9.0188      1.00000
     66      -8.9904      1.00000
     67      -8.7029      1.00000
     68      -8.6315      1.00000
     69      -8.5452      1.00000
     70      -8.4768      1.00000
     71      -8.2762      1.00000
     72      -8.1906      1.00000
     73      -8.0704      1.00000
     74      -8.0554      1.00000
     75      -8.0118      1.00000
     76      -7.9578      1.00000
     77      -7.9324      1.00000
     78      -7.9283      1.00000
     79      -7.9068      1.00000
     80      -7.4686      1.00000
     81      -7.0698      1.00000
     82      -7.0293      1.00000
     83      -7.0191      1.00000
     84      -6.9190      1.00000
     85      -6.8948      1.00000
     86      -6.6644      1.00000
     87      -6.6551      1.00000
     88      -6.3068      1.00000
     89      -6.2408      1.00000
     90      -5.9766      1.00000
     91      -5.9103      1.00000
     92      -5.7339      1.00000
     93      -5.5217      1.00000
     94      -5.3940      1.00000
     95      -5.2319      1.00000
     96      -5.0662      1.00000
     97      -5.0014      1.00000
     98      -4.9021      1.00000
     99      -4.9001      1.00000
    100      -4.3197      1.00000
    101      -4.1620      1.00000
    102      -4.0613      1.00000
    103      -3.7730      1.00000
    104      -3.5607      1.00000
    105      -3.3590      1.00000
    106      -3.3490      1.00000
    107      -1.9429      0.00000
    108      -1.5318      0.00000
    109      -1.3416      0.00000
    110      -0.8289      0.00000
    111      -0.7065      0.00000
    112      -0.6634      0.00000
    113      -0.3474      0.00000
    114      -0.3128      0.00000
    115      -0.3038      0.00000
    116      -0.2836      0.00000
    117       0.4540      0.00000
    118       0.5385      0.00000
    119       0.8205      0.00000
    120       1.0776      0.00000
    121       1.1338      0.00000
    122       1.4131      0.00000
    123       1.5048      0.00000
    124       1.5547      0.00000
    125       1.6035      0.00000
    126       1.7059      0.00000
    127       1.8672      0.00000
    128       1.8916      0.00000
    129       1.9410      0.00000
    130       2.0485      0.00000
    131       2.0935      0.00000
    132       2.1930      0.00000
    133       2.3507      0.00000
    134       2.5159      0.00000
    135       2.6204      0.00000
    136       2.6541      0.00000
    137       2.7068      0.00000
    138       2.7544      0.00000
    139       2.8988      0.00000
    140       2.9660      0.00000
    141       3.0286      0.00000
    142       3.1959      0.00000
    143       3.2241      0.00000
    144       3.2536      0.00000
    145       3.3706      0.00000
    146       3.4115      0.00000
    147       3.4682      0.00000
    148       3.5381      0.00000
    149       3.6177      0.00000
    150       3.6365      0.00000
    151       3.6793      0.00000
    152       3.6985      0.00000
    153       3.8229      0.00000
    154       3.8941      0.00000
    155       3.9179      0.00000
    156       3.9368      0.00000
    157       3.9885      0.00000
    158       4.0179      0.00000
    159       4.0911      0.00000
    160       4.1009      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9690      1.00000
      2     -21.6105      1.00000
      3     -21.5612      1.00000
      4     -21.0373      1.00000
      5     -21.0135      1.00000
      6     -20.4909      1.00000
      7     -20.4429      1.00000
      8     -20.2831      1.00000
      9     -19.7362      1.00000
     10     -19.7346      1.00000
     11     -19.3782      1.00000
     12     -19.3565      1.00000
     13     -18.6580      1.00000
     14     -18.6543      1.00000
     15     -18.3051      1.00000
     16     -18.2930      1.00000
     17     -18.1229      1.00000
     18     -17.3525      1.00000
     19     -17.2909      1.00000
     20     -17.2783      1.00000
     21     -17.2513      1.00000
     22     -16.7888      1.00000
     23     -16.7738      1.00000
     24     -16.6304      1.00000
     25     -15.6662      1.00000
     26     -15.6075      1.00000
     27     -15.2517      1.00000
     28     -15.2411      1.00000
     29     -14.9718      1.00000
     30     -14.5299      1.00000
     31     -14.4993      1.00000
     32     -14.2502      1.00000
     33     -14.2101      1.00000
     34     -13.8415      1.00000
     35     -13.8346      1.00000
     36     -12.8140      1.00000
     37     -12.7561      1.00000
     38     -12.7147      1.00000
     39     -12.6910      1.00000
     40     -12.3857      1.00000
     41     -12.3773      1.00000
     42     -12.0079      1.00000
     43     -11.9819      1.00000
     44     -11.4440      1.00000
     45     -11.3086      1.00000
     46     -11.2455      1.00000
     47     -11.1262      1.00000
     48     -10.6075      1.00000
     49     -10.5931      1.00000
     50     -10.3023      1.00000
     51     -10.2894      1.00000
     52     -10.1742      1.00000
     53     -10.1730      1.00000
     54     -10.1116      1.00000
     55     -10.0991      1.00000
     56     -10.0176      1.00000
     57      -9.7103      1.00000
     58      -9.5818      1.00000
     59      -9.2794      1.00000
     60      -9.2215      1.00000
     61      -9.1526      1.00000
     62      -9.0855      1.00000
     63      -9.0633      1.00000
     64      -9.0406      1.00000
     65      -8.9987      1.00000
     66      -8.9682      1.00000
     67      -8.8643      1.00000
     68      -8.8314      1.00000
     69      -8.7846      1.00000
     70      -8.5388      1.00000
     71      -8.5325      1.00000
     72      -8.3976      1.00000
     73      -8.2793      1.00000
     74      -8.1253      1.00000
     75      -7.8846      1.00000
     76      -7.8476      1.00000
     77      -7.6008      1.00000
     78      -7.5317      1.00000
     79      -7.5007      1.00000
     80      -7.4992      1.00000
     81      -7.3855      1.00000
     82      -7.3744      1.00000
     83      -7.1319      1.00000
     84      -7.0763      1.00000
     85      -6.6056      1.00000
     86      -6.5835      1.00000
     87      -6.4813      1.00000
     88      -6.3529      1.00000
     89      -6.1134      1.00000
     90      -6.0500      1.00000
     91      -5.9803      1.00000
     92      -5.9017      1.00000
     93      -5.7314      1.00000
     94      -5.3399      1.00000
     95      -5.1650      1.00000
     96      -5.1259      1.00000
     97      -5.0538      1.00000
     98      -4.9011      1.00000
     99      -4.4524      1.00000
    100      -4.3959      1.00000
    101      -4.1602      1.00000
    102      -4.0372      1.00000
    103      -3.9399      1.00000
    104      -3.5541      1.00000
    105      -3.4898      1.00000
    106      -3.0606      1.00000
    107      -2.1225      0.00000
    108      -1.6028      0.00000
    109      -0.9404      0.00000
    110      -0.9069      0.00000
    111      -0.8426      0.00000
    112      -0.6362      0.00000
    113      -0.6272      0.00000
    114      -0.4964      0.00000
    115      -0.4836      0.00000
    116       0.4874      0.00000
    117       0.4907      0.00000
    118       0.5877      0.00000
    119       0.7897      0.00000
    120       1.0280      0.00000
    121       1.0831      0.00000
    122       1.2914      0.00000
    123       1.3021      0.00000
    124       1.4715      0.00000
    125       1.6343      0.00000
    126       1.7156      0.00000
    127       1.8354      0.00000
    128       2.0083      0.00000
    129       2.0564      0.00000
    130       2.0908      0.00000
    131       2.1675      0.00000
    132       2.3015      0.00000
    133       2.3439      0.00000
    134       2.4489      0.00000
    135       2.5448      0.00000
    136       2.7432      0.00000
    137       2.8008      0.00000
    138       2.8403      0.00000
    139       2.8805      0.00000
    140       2.9035      0.00000
    141       3.0494      0.00000
    142       3.0517      0.00000
    143       3.1225      0.00000
    144       3.1649      0.00000
    145       3.2543      0.00000
    146       3.3018      0.00000
    147       3.3678      0.00000
    148       3.4801      0.00000
    149       3.5812      0.00000
    150       3.5994      0.00000
    151       3.6743      0.00000
    152       3.6940      0.00000
    153       3.8012      0.00000
    154       3.8950      0.00000
    155       3.9529      0.00000
    156       3.9745      0.00000
    157       4.0015      0.00000
    158       4.0903      0.00000
    159       4.1670      0.00000
    160       4.1704      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8532      1.00000
      2     -21.7805      1.00000
      3     -21.6179      1.00000
      4     -21.0634      1.00000
      5     -20.7115      1.00000
      6     -20.6698      1.00000
      7     -20.1634      1.00000
      8     -20.1171      1.00000
      9     -19.9623      1.00000
     10     -19.9324      1.00000
     11     -19.6151      1.00000
     12     -19.5575      1.00000
     13     -18.5441      1.00000
     14     -18.4807      1.00000
     15     -18.0265      1.00000
     16     -17.9619      1.00000
     17     -17.8244      1.00000
     18     -17.7960      1.00000
     19     -17.4977      1.00000
     20     -17.4474      1.00000
     21     -16.9301      1.00000
     22     -16.9042      1.00000
     23     -16.8364      1.00000
     24     -16.7989      1.00000
     25     -15.7646      1.00000
     26     -15.5645      1.00000
     27     -15.5293      1.00000
     28     -15.4991      1.00000
     29     -14.9147      1.00000
     30     -14.2379      1.00000
     31     -14.1915      1.00000
     32     -13.9595      1.00000
     33     -13.6341      1.00000
     34     -13.6246      1.00000
     35     -13.4964      1.00000
     36     -13.4741      1.00000
     37     -13.2961      1.00000
     38     -13.2351      1.00000
     39     -13.0276      1.00000
     40     -12.2917      1.00000
     41     -11.9005      1.00000
     42     -11.8019      1.00000
     43     -11.7530      1.00000
     44     -11.6893      1.00000
     45     -11.3959      1.00000
     46     -11.3244      1.00000
     47     -11.1849      1.00000
     48     -10.8065      1.00000
     49     -10.7892      1.00000
     50     -10.4603      1.00000
     51     -10.4051      1.00000
     52     -10.0297      1.00000
     53      -9.8892      1.00000
     54      -9.8748      1.00000
     55      -9.8347      1.00000
     56      -9.6886      1.00000
     57      -9.6837      1.00000
     58      -9.6466      1.00000
     59      -9.4859      1.00000
     60      -9.4617      1.00000
     61      -9.4442      1.00000
     62      -9.4302      1.00000
     63      -9.1319      1.00000
     64      -9.0367      1.00000
     65      -8.7672      1.00000
     66      -8.7375      1.00000
     67      -8.7051      1.00000
     68      -8.6021      1.00000
     69      -8.5427      1.00000
     70      -8.3972      1.00000
     71      -8.3665      1.00000
     72      -8.2549      1.00000
     73      -8.2159      1.00000
     74      -8.1608      1.00000
     75      -8.1312      1.00000
     76      -8.0416      1.00000
     77      -7.9102      1.00000
     78      -7.7664      1.00000
     79      -7.7044      1.00000
     80      -7.5838      1.00000
     81      -7.4407      1.00000
     82      -7.2895      1.00000
     83      -7.2114      1.00000
     84      -6.6969      1.00000
     85      -6.6081      1.00000
     86      -6.5548      1.00000
     87      -6.4519      1.00000
     88      -6.2428      1.00000
     89      -6.1675      1.00000
     90      -6.1020      1.00000
     91      -5.9065      1.00000
     92      -5.6738      1.00000
     93      -5.5124      1.00000
     94      -5.4692      1.00000
     95      -5.2750      1.00000
     96      -5.1171      1.00000
     97      -4.9388      1.00000
     98      -4.9063      1.00000
     99      -4.9004      1.00000
    100      -4.4895      1.00000
    101      -4.1605      1.00000
    102      -4.0469      1.00000
    103      -3.9271      1.00000
    104      -3.5719      1.00000
    105      -3.5151      1.00000
    106      -2.8584      1.00000
    107      -2.2502      0.00000
    108      -1.6808      0.00000
    109      -0.9092      0.00000
    110      -0.8651      0.00000
    111      -0.8602      0.00000
    112      -0.7855      0.00000
    113      -0.1995      0.00000
    114      -0.1667      0.00000
    115      -0.0192      0.00000
    116       0.0008      0.00000
    117       0.2435      0.00000
    118       0.3244      0.00000
    119       0.7706      0.00000
    120       0.8555      0.00000
    121       0.9362      0.00000
    122       1.0572      0.00000
    123       1.2818      0.00000
    124       1.5165      0.00000
    125       1.5879      0.00000
    126       1.6755      0.00000
    127       1.9549      0.00000
    128       2.0190      0.00000
    129       2.0648      0.00000
    130       2.1171      0.00000
    131       2.3015      0.00000
    132       2.3690      0.00000
    133       2.4810      0.00000
    134       2.5798      0.00000
    135       2.6691      0.00000
    136       2.7601      0.00000
    137       2.9297      0.00000
    138       2.9858      0.00000
    139       3.0315      0.00000
    140       3.0526      0.00000
    141       3.1447      0.00000
    142       3.1622      0.00000
    143       3.1811      0.00000
    144       3.2183      0.00000
    145       3.3277      0.00000
    146       3.3923      0.00000
    147       3.4475      0.00000
    148       3.4666      0.00000
    149       3.4954      0.00000
    150       3.5373      0.00000
    151       3.5700      0.00000
    152       3.5985      0.00000
    153       3.6282      0.00000
    154       3.6932      0.00000
    155       3.7830      0.00000
    156       3.8923      0.00000
    157       3.9453      0.00000
    158       4.0414      0.00000
    159       4.1848      0.00000
    160       4.1990      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9686      1.00000
      2     -21.6165      1.00000
      3     -21.5552      1.00000
      4     -21.0455      1.00000
      5     -21.0040      1.00000
      6     -20.4971      1.00000
      7     -20.4380      1.00000
      8     -20.2835      1.00000
      9     -19.7558      1.00000
     10     -19.7150      1.00000
     11     -19.3851      1.00000
     12     -19.3487      1.00000
     13     -18.6785      1.00000
     14     -18.6349      1.00000
     15     -18.3207      1.00000
     16     -18.2747      1.00000
     17     -18.1249      1.00000
     18     -17.3428      1.00000
     19     -17.3012      1.00000
     20     -17.2728      1.00000
     21     -17.2472      1.00000
     22     -16.8124      1.00000
     23     -16.7574      1.00000
     24     -16.6390      1.00000
     25     -15.6862      1.00000
     26     -15.5779      1.00000
     27     -15.2746      1.00000
     28     -15.2342      1.00000
     29     -14.9420      1.00000
     30     -14.5597      1.00000
     31     -14.4918      1.00000
     32     -14.2482      1.00000
     33     -14.2069      1.00000
     34     -13.8344      1.00000
     35     -13.8241      1.00000
     36     -12.8638      1.00000
     37     -12.7600      1.00000
     38     -12.7003      1.00000
     39     -12.6848      1.00000
     40     -12.4105      1.00000
     41     -12.3612      1.00000
     42     -12.0081      1.00000
     43     -11.9820      1.00000
     44     -11.3763      1.00000
     45     -11.2915      1.00000
     46     -11.2333      1.00000
     47     -11.1809      1.00000
     48     -10.6042      1.00000
     49     -10.5889      1.00000
     50     -10.3398      1.00000
     51     -10.2668      1.00000
     52     -10.2122      1.00000
     53     -10.1662      1.00000
     54     -10.1273      1.00000
     55     -10.0739      1.00000
     56     -10.0244      1.00000
     57      -9.7124      1.00000
     58      -9.5769      1.00000
     59      -9.2914      1.00000
     60      -9.2266      1.00000
     61      -9.1311      1.00000
     62      -9.0925      1.00000
     63      -9.0770      1.00000
     64      -9.0467      1.00000
     65      -9.0066      1.00000
     66      -8.9526      1.00000
     67      -8.8408      1.00000
     68      -8.7984      1.00000
     69      -8.7801      1.00000
     70      -8.5435      1.00000
     71      -8.5278      1.00000
     72      -8.4111      1.00000
     73      -8.2700      1.00000
     74      -8.1548      1.00000
     75      -7.8751      1.00000
     76      -7.8445      1.00000
     77      -7.6338      1.00000
     78      -7.5410      1.00000
     79      -7.5049      1.00000
     80      -7.4523      1.00000
     81      -7.3968      1.00000
     82      -7.3595      1.00000
     83      -7.1628      1.00000
     84      -7.0494      1.00000
     85      -6.6280      1.00000
     86      -6.5820      1.00000
     87      -6.4949      1.00000
     88      -6.3057      1.00000
     89      -6.0994      1.00000
     90      -6.0421      1.00000
     91      -5.9807      1.00000
     92      -5.8742      1.00000
     93      -5.7954      1.00000
     94      -5.4814      1.00000
     95      -5.2689      1.00000
     96      -5.0638      1.00000
     97      -4.9045      1.00000
     98      -4.7689      1.00000
     99      -4.5159      1.00000
    100      -4.4340      1.00000
    101      -4.1739      1.00000
    102      -4.0046      1.00000
    103      -3.8636      1.00000
    104      -3.5955      1.00000
    105      -3.5212      1.00000
    106      -3.1677      1.00000
    107      -1.9282      0.00000
    108      -1.6949      0.00000
    109      -0.9860      0.00000
    110      -0.8974      0.00000
    111      -0.8738      0.00000
    112      -0.6327      0.00000
    113      -0.5833      0.00000
    114      -0.4920      0.00000
    115      -0.4678      0.00000
    116       0.3753      0.00000
    117       0.5319      0.00000
    118       0.5762      0.00000
    119       0.8118      0.00000
    120       1.0910      0.00000
    121       1.0979      0.00000
    122       1.2236      0.00000
    123       1.3533      0.00000
    124       1.4658      0.00000
    125       1.5990      0.00000
    126       1.7393      0.00000
    127       1.8321      0.00000
    128       1.9940      0.00000
    129       2.0645      0.00000
    130       2.0933      0.00000
    131       2.1569      0.00000
    132       2.3409      0.00000
    133       2.3560      0.00000
    134       2.4546      0.00000
    135       2.5050      0.00000
    136       2.7482      0.00000
    137       2.8000      0.00000
    138       2.8401      0.00000
    139       2.8762      0.00000
    140       2.9145      0.00000
    141       3.0323      0.00000
    142       3.0460      0.00000
    143       3.1263      0.00000
    144       3.1643      0.00000
    145       3.2616      0.00000
    146       3.3078      0.00000
    147       3.3785      0.00000
    148       3.4782      0.00000
    149       3.5693      0.00000
    150       3.6070      0.00000
    151       3.6802      0.00000
    152       3.6899      0.00000
    153       3.7975      0.00000
    154       3.9012      0.00000
    155       3.9255      0.00000
    156       3.9820      0.00000
    157       4.0001      0.00000
    158       4.1033      0.00000
    159       4.1314      0.00000
    160       4.1622      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0420      1.00000
      2     -21.4847      1.00000
      3     -21.2965      1.00000
      4     -21.2690      1.00000
      5     -20.9314      1.00000
      6     -20.8963      1.00000
      7     -20.7186      1.00000
      8     -19.8282      1.00000
      9     -19.7909      1.00000
     10     -19.2790      1.00000
     11     -19.2514      1.00000
     12     -19.0778      1.00000
     13     -18.7656      1.00000
     14     -18.7232      1.00000
     15     -18.7063      1.00000
     16     -18.6971      1.00000
     17     -18.0326      1.00000
     18     -18.0116      1.00000
     19     -17.6814      1.00000
     20     -16.7395      1.00000
     21     -16.6934      1.00000
     22     -16.6234      1.00000
     23     -16.6055      1.00000
     24     -16.1577      1.00000
     25     -16.1245      1.00000
     26     -15.2776      1.00000
     27     -15.2598      1.00000
     28     -14.9075      1.00000
     29     -14.8996      1.00000
     30     -14.8758      1.00000
     31     -14.7801      1.00000
     32     -14.7359      1.00000
     33     -14.3722      1.00000
     34     -14.3532      1.00000
     35     -13.4075      1.00000
     36     -13.3815      1.00000
     37     -12.9171      1.00000
     38     -12.3493      1.00000
     39     -12.2499      1.00000
     40     -12.1283      1.00000
     41     -12.1156      1.00000
     42     -11.7816      1.00000
     43     -11.7636      1.00000
     44     -11.3869      1.00000
     45     -11.3589      1.00000
     46     -11.2615      1.00000
     47     -10.8993      1.00000
     48     -10.8942      1.00000
     49     -10.6785      1.00000
     50     -10.6764      1.00000
     51     -10.5960      1.00000
     52     -10.5547      1.00000
     53     -10.1995      1.00000
     54      -9.8762      1.00000
     55      -9.8210      1.00000
     56      -9.7633      1.00000
     57      -9.5687      1.00000
     58      -9.3703      1.00000
     59      -9.3576      1.00000
     60      -9.3249      1.00000
     61      -9.2977      1.00000
     62      -9.2327      1.00000
     63      -9.1978      1.00000
     64      -8.9968      1.00000
     65      -8.9729      1.00000
     66      -8.9144      1.00000
     67      -8.9080      1.00000
     68      -8.8003      1.00000
     69      -8.7920      1.00000
     70      -8.7801      1.00000
     71      -8.6125      1.00000
     72      -8.5378      1.00000
     73      -8.2710      1.00000
     74      -8.2618      1.00000
     75      -7.8208      1.00000
     76      -7.7259      1.00000
     77      -7.5721      1.00000
     78      -7.4985      1.00000
     79      -7.4615      1.00000
     80      -7.4232      1.00000
     81      -7.1395      1.00000
     82      -6.9941      1.00000
     83      -6.9694      1.00000
     84      -6.9377      1.00000
     85      -6.8830      1.00000
     86      -6.6759      1.00000
     87      -6.5611      1.00000
     88      -6.4397      1.00000
     89      -6.3900      1.00000
     90      -6.3079      1.00000
     91      -5.8657      1.00000
     92      -5.7946      1.00000
     93      -5.7669      1.00000
     94      -5.6521      1.00000
     95      -5.5971      1.00000
     96      -5.0449      1.00000
     97      -4.6203      1.00000
     98      -4.5245      1.00000
     99      -4.3643      1.00000
    100      -4.2396      1.00000
    101      -4.1831      1.00000
    102      -3.8321      1.00000
    103      -3.8005      1.00000
    104      -3.7318      1.00000
    105      -3.4521      1.00000
    106      -3.4227      1.00000
    107      -1.8110      0.00000
    108      -1.4361      0.00000
    109      -1.3865      0.00000
    110      -1.0263      0.00000
    111      -1.0018      0.00000
    112      -0.9797      0.00000
    113      -0.8559      0.00000
    114      -0.2700      0.00000
    115       0.0438      0.00000
    116       0.0736      0.00000
    117       0.7418      0.00000
    118       0.9088      0.00000
    119       0.9331      0.00000
    120       1.2036      0.00000
    121       1.2654      0.00000
    122       1.3518      0.00000
    123       1.4294      0.00000
    124       1.4706      0.00000
    125       1.5445      0.00000
    126       1.6816      0.00000
    127       1.7598      0.00000
    128       1.9592      0.00000
    129       1.9785      0.00000
    130       2.1645      0.00000
    131       2.2003      0.00000
    132       2.2296      0.00000
    133       2.3307      0.00000
    134       2.3832      0.00000
    135       2.4198      0.00000
    136       2.5358      0.00000
    137       2.7045      0.00000
    138       2.7328      0.00000
    139       2.7800      0.00000
    140       2.8115      0.00000
    141       2.8687      0.00000
    142       3.0448      0.00000
    143       3.1278      0.00000
    144       3.1441      0.00000
    145       3.1622      0.00000
    146       3.2106      0.00000
    147       3.2262      0.00000
    148       3.4185      0.00000
    149       3.4194      0.00000
    150       3.4906      0.00000
    151       3.5975      0.00000
    152       3.6034      0.00000
    153       3.7809      0.00000
    154       3.8511      0.00000
    155       3.9211      0.00000
    156       3.9972      0.00000
    157       4.1309      0.00000
    158       4.1557      0.00000
    159       4.2027      0.00000
    160       4.3617      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8495      1.00000
      2     -21.7864      1.00000
      3     -21.6157      1.00000
      4     -21.0631      1.00000
      5     -20.7023      1.00000
      6     -20.6794      1.00000
      7     -20.1536      1.00000
      8     -20.1276      1.00000
      9     -19.9491      1.00000
     10     -19.9481      1.00000
     11     -19.6072      1.00000
     12     -19.5623      1.00000
     13     -18.5420      1.00000
     14     -18.4852      1.00000
     15     -17.9986      1.00000
     16     -17.9836      1.00000
     17     -17.8147      1.00000
     18     -17.8092      1.00000
     19     -17.4797      1.00000
     20     -17.4645      1.00000
     21     -16.9341      1.00000
     22     -16.9068      1.00000
     23     -16.8266      1.00000
     24     -16.8005      1.00000
     25     -15.7944      1.00000
     26     -15.5328      1.00000
     27     -15.5310      1.00000
     28     -15.5128      1.00000
     29     -14.8958      1.00000
     30     -14.2203      1.00000
     31     -14.1994      1.00000
     32     -13.9407      1.00000
     33     -13.6714      1.00000
     34     -13.6312      1.00000
     35     -13.4978      1.00000
     36     -13.4829      1.00000
     37     -13.2726      1.00000
     38     -13.2444      1.00000
     39     -13.0325      1.00000
     40     -12.3183      1.00000
     41     -11.8406      1.00000
     42     -11.8263      1.00000
     43     -11.7211      1.00000
     44     -11.6852      1.00000
     45     -11.4175      1.00000
     46     -11.3469      1.00000
     47     -11.1774      1.00000
     48     -10.8031      1.00000
     49     -10.7938      1.00000
     50     -10.4537      1.00000
     51     -10.3979      1.00000
     52     -10.0394      1.00000
     53      -9.8819      1.00000
     54      -9.8730      1.00000
     55      -9.8513      1.00000
     56      -9.7032      1.00000
     57      -9.6661      1.00000
     58      -9.6481      1.00000
     59      -9.4961      1.00000
     60      -9.4706      1.00000
     61      -9.4437      1.00000
     62      -9.4345      1.00000
     63      -9.1233      1.00000
     64      -9.0326      1.00000
     65      -8.7681      1.00000
     66      -8.7330      1.00000
     67      -8.6721      1.00000
     68      -8.6314      1.00000
     69      -8.5354      1.00000
     70      -8.3846      1.00000
     71      -8.3767      1.00000
     72      -8.2373      1.00000
     73      -8.2164      1.00000
     74      -8.1346      1.00000
     75      -8.1341      1.00000
     76      -8.0103      1.00000
     77      -7.9744      1.00000
     78      -7.7684      1.00000
     79      -7.7300      1.00000
     80      -7.6267      1.00000
     81      -7.3736      1.00000
     82      -7.2933      1.00000
     83      -7.1834      1.00000
     84      -6.7425      1.00000
     85      -6.6364      1.00000
     86      -6.5655      1.00000
     87      -6.3078      1.00000
     88      -6.2271      1.00000
     89      -6.1662      1.00000
     90      -6.1323      1.00000
     91      -6.0556      1.00000
     92      -5.6754      1.00000
     93      -5.4880      1.00000
     94      -5.4529      1.00000
     95      -5.3006      1.00000
     96      -5.0919      1.00000
     97      -4.9212      1.00000
     98      -4.9106      1.00000
     99      -4.8765      1.00000
    100      -4.4583      1.00000
    101      -4.1500      1.00000
    102      -4.0224      1.00000
    103      -3.9540      1.00000
    104      -3.5845      1.00000
    105      -3.5330      1.00000
    106      -2.9585      1.00000
    107      -2.1064      0.00000
    108      -1.7303      0.00000
    109      -0.8673      0.00000
    110      -0.8637      0.00000
    111      -0.8563      0.00000
    112      -0.8344      0.00000
    113      -0.1878      0.00000
    114      -0.1726      0.00000
    115      -0.0385      0.00000
    116      -0.0155      0.00000
    117       0.2940      0.00000
    118       0.3003      0.00000
    119       0.7490      0.00000
    120       0.8493      0.00000
    121       0.9888      0.00000
    122       1.0297      0.00000
    123       1.2436      0.00000
    124       1.5696      0.00000
    125       1.5760      0.00000
    126       1.6533      0.00000
    127       1.9621      0.00000
    128       2.0227      0.00000
    129       2.0634      0.00000
    130       2.1282      0.00000
    131       2.3008      0.00000
    132       2.3691      0.00000
    133       2.5390      0.00000
    134       2.5552      0.00000
    135       2.6535      0.00000
    136       2.8266      0.00000
    137       2.9220      0.00000
    138       2.9551      0.00000
    139       3.0242      0.00000
    140       3.0533      0.00000
    141       3.1158      0.00000
    142       3.1588      0.00000
    143       3.1945      0.00000
    144       3.2119      0.00000
    145       3.3311      0.00000
    146       3.3826      0.00000
    147       3.4310      0.00000
    148       3.4693      0.00000
    149       3.5036      0.00000
    150       3.5372      0.00000
    151       3.5590      0.00000
    152       3.5752      0.00000
    153       3.6282      0.00000
    154       3.6792      0.00000
    155       3.7998      0.00000
    156       3.9118      0.00000
    157       3.9453      0.00000
    158       4.0426      0.00000
    159       4.1727      0.00000
    160       4.1947      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9327      1.00000
      2     -21.7375      1.00000
      3     -21.3737      1.00000
      4     -21.3438      1.00000
      5     -20.6369      1.00000
      6     -20.5996      1.00000
      7     -20.2672      1.00000
      8     -20.2395      1.00000
      9     -20.2305      1.00000
     10     -19.6956      1.00000
     11     -19.1714      1.00000
     12     -19.1433      1.00000
     13     -18.9762      1.00000
     14     -18.9618      1.00000
     15     -18.1095      1.00000
     16     -18.0743      1.00000
     17     -17.5980      1.00000
     18     -17.5740      1.00000
     19     -17.4259      1.00000
     20     -17.3888      1.00000
     21     -17.1120      1.00000
     22     -17.0902      1.00000
     23     -17.0047      1.00000
     24     -16.1560      1.00000
     25     -16.1196      1.00000
     26     -15.6416      1.00000
     27     -15.0807      1.00000
     28     -15.0620      1.00000
     29     -14.7698      1.00000
     30     -14.7475      1.00000
     31     -14.5143      1.00000
     32     -14.5080      1.00000
     33     -13.9903      1.00000
     34     -13.9233      1.00000
     35     -13.1487      1.00000
     36     -13.0702      1.00000
     37     -12.8571      1.00000
     38     -12.8322      1.00000
     39     -12.6616      1.00000
     40     -12.6399      1.00000
     41     -12.2922      1.00000
     42     -12.2691      1.00000
     43     -11.8867      1.00000
     44     -11.2733      1.00000
     45     -11.2461      1.00000
     46     -11.1768      1.00000
     47     -10.9790      1.00000
     48     -10.9366      1.00000
     49     -10.8132      1.00000
     50     -10.3742      1.00000
     51     -10.3340      1.00000
     52     -10.0936      1.00000
     53      -9.9871      1.00000
     54      -9.9870      1.00000
     55      -9.8549      1.00000
     56      -9.7949      1.00000
     57      -9.7625      1.00000
     58      -9.4817      1.00000
     59      -9.4223      1.00000
     60      -9.3914      1.00000
     61      -9.3781      1.00000
     62      -9.3694      1.00000
     63      -9.3195      1.00000
     64      -9.0383      1.00000
     65      -9.0224      1.00000
     66      -8.9837      1.00000
     67      -8.6556      1.00000
     68      -8.6376      1.00000
     69      -8.5818      1.00000
     70      -8.4576      1.00000
     71      -8.2572      1.00000
     72      -8.1966      1.00000
     73      -8.0977      1.00000
     74      -8.0586      1.00000
     75      -7.9751      1.00000
     76      -7.9689      1.00000
     77      -7.9317      1.00000
     78      -7.9108      1.00000
     79      -7.8981      1.00000
     80      -7.4907      1.00000
     81      -7.2160      1.00000
     82      -7.0273      1.00000
     83      -6.9426      1.00000
     84      -6.8778      1.00000
     85      -6.8223      1.00000
     86      -6.6728      1.00000
     87      -6.6332      1.00000
     88      -6.2836      1.00000
     89      -6.2667      1.00000
     90      -6.1411      1.00000
     91      -5.9437      1.00000
     92      -5.6331      1.00000
     93      -5.5181      1.00000
     94      -5.3930      1.00000
     95      -5.3186      1.00000
     96      -5.0092      1.00000
     97      -4.9741      1.00000
     98      -4.9078      1.00000
     99      -4.8798      1.00000
    100      -4.2454      1.00000
    101      -4.1669      1.00000
    102      -3.9697      1.00000
    103      -3.7927      1.00000
    104      -3.6098      1.00000
    105      -3.5033      1.00000
    106      -3.3599      1.00000
    107      -1.7466      0.00000
    108      -1.5234      0.00000
    109      -1.4834      0.00000
    110      -0.7677      0.00000
    111      -0.7138      0.00000
    112      -0.6990      0.00000
    113      -0.3502      0.00000
    114      -0.3416      0.00000
    115      -0.2955      0.00000
    116      -0.2789      0.00000
    117       0.4672      0.00000
    118       0.5370      0.00000
    119       0.8210      0.00000
    120       1.0678      0.00000
    121       1.1232      0.00000
    122       1.3335      0.00000
    123       1.5313      0.00000
    124       1.5460      0.00000
    125       1.6274      0.00000
    126       1.7235      0.00000
    127       1.8620      0.00000
    128       1.9042      0.00000
    129       1.9440      0.00000
    130       2.0292      0.00000
    131       2.1447      0.00000
    132       2.2670      0.00000
    133       2.3529      0.00000
    134       2.4989      0.00000
    135       2.6216      0.00000
    136       2.6553      0.00000
    137       2.6883      0.00000
    138       2.7568      0.00000
    139       2.8930      0.00000
    140       2.9369      0.00000
    141       3.0286      0.00000
    142       3.1962      0.00000
    143       3.2224      0.00000
    144       3.2512      0.00000
    145       3.3608      0.00000
    146       3.3976      0.00000
    147       3.4674      0.00000
    148       3.5680      0.00000
    149       3.6328      0.00000
    150       3.6356      0.00000
    151       3.6581      0.00000
    152       3.7026      0.00000
    153       3.8250      0.00000
    154       3.8625      0.00000
    155       3.9157      0.00000
    156       3.9178      0.00000
    157       3.9989      0.00000
    158       4.0350      0.00000
    159       4.0846      0.00000
    160       4.0855      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8852   -7.1172    4.1298   -1.3432   -0.2916   17.9316   -0.2846   -0.0286    0.1587   -0.1180
x    -3.2524   -0.0116   -0.0004   -0.0471    0.1022   -3.0476    0.0185   -0.0217    0.0097    0.0027
x    -0.0998    0.0018   -0.0004   -0.0003    0.0005   -0.0234   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8852    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0008    0.0009    0.0036   -0.0995   -0.0415    0.0830    0.0203
y     0.0043   -3.2718   -0.0611    0.2284   -2.4002   -0.6404
z   203.8852    1.5047    0.2845    0.1086    0.0445    0.0803   -0.0027   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0856    0.0044   -0.0014    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4383
z    -0.4206    0.1516    0.0491    0.1381   -0.0840    0.0003
 total charge-density along one line
x   212.0000  -10.0908    6.1813   -2.2003   -0.5431   19.9244   -1.5327    1.0926   -0.6228    0.2966
x    -2.8497    0.0060    0.0200   -0.0537    0.0874   -2.3196    0.0253   -0.0279    0.0131    0.0038
x    -0.0941    0.0073   -0.0047    0.0021   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
x    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
x    -0.0004    0.0000    0.0000    0.0000    0.0001   -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  -10.0908    6.1813   -2.2003   -0.5431   19.9244   -1.5327    1.0926   -0.6228    0.2966
y    -2.8497    0.0060    0.0200   -0.0537    0.0874   -2.3196    0.0253   -0.0279    0.0131    0.0038
y    -0.0941    0.0073   -0.0047    0.0021   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
y    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
y    -0.0004    0.0000    0.0000    0.0000    0.0001   -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 -205.1422  189.0871 -171.5141  155.1506 -138.8739  122.8309 -108.2167   94.3378  -79.5362
z    64.1523  -50.3246   39.4034  -31.0610   24.4973  -19.2623   15.0138  -11.4040    8.3551   -5.9888
z     4.2471   -2.8862    1.7964   -1.0375    0.5724   -0.2214   -0.1033    0.3227   -0.3878    0.3905
z    -0.4244    0.4628   -0.4408    0.3702   -0.3095    0.2761   -0.2459    0.2080   -0.1730    0.1454
z    -0.1196    0.0961   -0.0794    0.0673   -0.0547    0.0432   -0.0367    0.0330   -0.0276    0.0212
z    -0.0175    0.0162   -0.0143    0.0109   -0.0081    0.0069   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.050   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.975   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.050   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.975   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.039   0.000  -0.002   0.091   0.000  -0.024   0.000  -0.008   0.065  -0.012   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.091   0.000   0.000   0.237   0.000  -0.070   0.000   0.000   0.000   0.015   0.000   0.019   0.023
  0.039   0.000   1.720   0.000  -0.020  -0.013   0.000   0.403   0.000   0.006  -0.313   0.024   0.000  -0.024   0.000   0.000
  0.000   0.091   0.000   1.777   0.000   0.000  -0.069   0.000   0.313   0.000   0.000   0.000   0.019   0.000  -0.003  -0.001
 -0.002   0.000  -0.020   0.000   1.950  -0.008   0.000   0.012   0.000   0.080  -0.058   0.005   0.000  -0.007   0.000   0.000
  0.091   0.000  -0.013   0.000  -0.008   0.031   0.000  -0.038   0.000   0.005  -0.066   0.027   0.000   0.026   0.000   0.000
  0.000   0.237   0.000  -0.069   0.000   0.000   0.146   0.000  -0.076   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.403   0.000   0.012  -0.038   0.000   0.670   0.000   0.023   0.516  -0.354   0.000  -0.102   0.000   0.000
  0.000  -0.070   0.000   0.313   0.000   0.000  -0.076   0.000   0.235   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.008   0.000   0.006   0.000   0.080   0.005   0.000   0.023   0.000   0.037   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.065   0.000  -0.313   0.000  -0.058  -0.066   0.000   0.516   0.000   0.043   0.873  -0.390   0.000  -0.153   0.000   0.000
 -0.012   0.000   0.024   0.000   0.005   0.027   0.000  -0.354   0.000  -0.016  -0.390   0.272   0.000   0.080   0.000   0.000
  0.000   0.015   0.000   0.019   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.024   0.000  -0.007   0.026   0.000  -0.102   0.000  -0.015  -0.153   0.080   0.000   0.171   0.000   0.000
  0.000   0.019   0.000  -0.003   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.029   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.025   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.428   0.164   8.206   8.797
  2        0.629   0.031   0.000   0.660
  3        0.545   0.027   0.000   0.572
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.645
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.782   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.785   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.636
 17        0.850   1.758   0.000   2.608
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.644
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.647
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.644
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.772   0.000   2.636
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.785   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.782   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.645
------------------------------------------------
tot       44.743  89.255   8.206 142.204
 


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


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


    CHARGE:  VPU time  113.14: CPU time   57.14
    FORLOC:  VPU time    1.26: CPU time    1.25
    FORNL :  VPU time  447.50: CPU time  224.13
    STRESS:  VPU time 1346.27: CPU time  684.17
    FORCOR:  VPU time    8.75: CPU time    8.75
    FORHAR:  VPU time    2.30: CPU time    2.30
    MIXING:  VPU time    0.19: CPU time    0.19
 d Force = 0.1371294E-03[-0.179E-03, 0.453E-03]  d Energy = 0.1641545E-03-0.270E-04
 d Force = 0.1585921E+01[ 0.159E+01, 0.158E+01]  d Ewald  = 0.3157235E+01-0.157E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.338966 eV

  energy  without entropy=     -470.338966  energy(sigma->0) =     -470.338966
 

  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    40607.28  40579.84 -47252.10    -23.76      0.00      0.00
  Hartree  40132.64  40120.09 -39361.82    -10.87      0.00      0.00
  E(xc)     -779.86   -779.98   -806.99     -0.10      0.00      0.00
  Local   -83028.17 -82992.23  83942.34     31.12      0.00      0.00
  n-local   -223.83   -221.89   -215.70      0.91      0.00      0.00
  augment     21.44     21.93     18.86      0.42      0.00      0.00
  Kinetic   3172.19   3182.08   3581.09      0.45      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.53     -0.07     -0.39      0.40      0.00      0.00
  in kB       -0.32     -0.04     -0.24      0.24      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
    12.353410825 -0.001425379  0.000000000     0.080954698  0.046751740  0.000000000
    -6.177946472 10.697650819  0.000000000     0.000010787  0.093484696  0.000000000
     0.000000000  0.000000000 19.963588288     0.000000000  0.000000000  0.050091195

  length of vectors
    12.353410908 12.353410689 19.963588288     0.093484695  0.093484697  0.050091195


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.788E-05 -.441E-04 -.104E+04   0.576E-05 -.293E-04 0.104E+04   0.206E-20 0.741E-21 0.321E+01   0.658E-06 -.385E-06 -.128E-01
   -.325E-06 -.786E-05 -.108E+03   -.715E-07 -.947E-06 0.104E+03   0.127E-22 -.156E-28 0.347E+01   0.286E-07 -.162E-07 0.312E-02
   -.217E-06 -.657E-05 -.114E+03   -.712E-07 -.597E-06 0.118E+03   -.390E-22 -.132E-22 -.459E+01   0.170E-07 -.969E-08 0.149E-02
   -.190E+01 0.110E+01 0.219E+02   0.189E+01 -.109E+01 -.219E+02   -.492E-02 0.284E-02 0.194E-01   0.356E-02 -.206E-02 -.989E-03
   0.552E+01 0.674E+01 0.248E+02   -.552E+01 -.676E+01 -.248E+02   -.420E-02 0.186E-01 -.253E-02   0.283E-02 -.219E-02 -.109E-02
   0.108E+02 0.539E+01 0.207E+02   -.109E+02 -.539E+01 -.207E+02   -.146E-02 0.189E-01 -.533E-01   0.206E-02 -.240E-02 -.102E-02
   0.435E+01 -.117E+01 0.189E+02   -.438E+01 0.120E+01 -.189E+02   0.114E-01 -.167E-01 0.277E-01   0.214E-02 -.479E-03 -.708E-03
   -.276E+01 -.248E+01 0.176E+02   0.275E+01 0.250E+01 -.176E+02   -.120E-01 -.993E-02 0.258E-01   0.341E-02 -.102E-02 -.610E-03
   0.768E+00 0.363E+01 0.176E+02   -.785E+00 -.363E+01 -.176E+02   0.259E-02 0.154E-01 0.258E-01   0.258E-02 -.245E-02 -.615E-03
   0.294E+01 0.180E+02 0.285E+02   -.296E+01 -.180E+02 -.285E+02   0.981E-02 0.587E-01 0.346E-01   0.280E-02 -.176E-02 -.120E-02
   0.209E+02 0.235E+02 0.400E+02   -.209E+02 -.237E+02 -.399E+02   0.412E-01 0.191E+00 -.103E+00   0.131E-02 -.247E-02 -.348E-02
   0.268E+02 -.509E+01 0.255E+02   -.270E+02 0.520E+01 -.256E+02   0.200E+00 -.107E+00 0.589E-01   0.261E-02 -.178E-02 -.152E-02
   0.923E+01 -.533E+01 0.164E+02   -.923E+01 0.533E+01 -.164E+02   -.856E-02 0.494E-02 0.373E-01   0.300E-02 -.174E-02 -.426E-03
   0.319E+01 -.318E+01 0.189E+02   -.323E+01 0.319E+01 -.189E+02   0.201E-01 -.151E-02 0.277E-01   0.148E-02 -.162E-02 -.718E-03
   -.597E+01 0.130E+02 0.220E+02   0.594E+01 -.130E+02 -.220E+02   0.412E-02 0.549E-01 0.284E-01   0.231E-02 -.224E-02 -.115E-02
   -.126E+02 0.347E+02 0.384E+02   0.126E+02 -.352E+02 -.389E+02   0.199E-01 0.503E+00 0.524E+00   0.372E-02 -.257E-02 -.473E-02
   0.334E+02 -.193E+02 0.479E+02   -.347E+02 0.200E+02 -.505E+02   0.122E+01 -.705E+00 0.263E+01   0.594E-03 -.346E-03 -.532E-02
   0.178E+02 -.207E+02 0.255E+02   -.180E+02 0.208E+02 -.256E+02   0.192E+00 -.120E+00 0.589E-01   0.284E-02 -.138E-02 -.153E-02
   0.751E+00 -.121E+02 0.207E+02   -.755E+00 0.121E+02 -.207E+02   -.171E-01 -.816E-02 -.533E-01   0.311E-02 -.584E-03 -.103E-02
   -.388E+01 0.139E+01 0.160E+02   0.388E+01 -.140E+01 -.160E+02   -.142E-01 0.554E-02 -.388E-01   0.351E-02 -.136E-02 -.601E-03
   -.178E+02 0.103E+02 0.191E+02   0.178E+02 -.103E+02 -.189E+02   -.344E-01 0.199E-01 -.150E+00   0.536E-02 -.309E-02 -.382E-03
   -.364E+02 -.639E+01 0.384E+02   0.368E+02 0.666E+01 -.389E+02   -.426E+00 -.269E+00 0.524E+00   0.409E-02 -.194E-02 -.473E-02
   -.995E+01 -.298E+02 0.400E+02   0.101E+02 0.300E+02 -.399E+02   -.145E+00 -.131E+00 -.103E+00   0.280E-02 0.102E-03 -.348E-02
   -.308E+01 -.815E+01 0.248E+02   0.309E+01 0.816E+01 -.248E+02   -.182E-01 -.564E-02 -.253E-02   0.332E-02 -.136E-02 -.109E-02
   0.939E+00 -.542E+00 0.178E+02   -.944E+00 0.545E+00 -.178E+02   -.559E-02 0.323E-02 -.297E-01   0.259E-02 -.149E-02 -.699E-03
   -.315E+01 0.267E+01 0.160E+02   0.315E+01 -.266E+01 -.160E+02   -.119E-01 0.950E-02 -.388E-01   0.294E-02 -.236E-02 -.595E-03
   -.142E+02 -.133E+01 0.220E+02   0.143E+02 0.137E+01 -.220E+02   -.455E-01 -.310E-01 0.284E-01   0.310E-02 -.879E-03 -.114E-02
   -.141E+02 -.115E+02 0.285E+02   0.141E+02 0.116E+02 -.285E+02   -.460E-01 -.379E-01 0.346E-01   0.292E-02 -.155E-02 -.119E-02
   0.308E+01 0.815E+01 0.248E+02   -.309E+01 -.816E+01 -.248E+02   0.182E-01 0.564E-02 -.253E-02   -.332E-02 0.136E-02 -.109E-02
   0.141E+02 0.115E+02 0.285E+02   -.141E+02 -.116E+02 -.285E+02   0.460E-01 0.379E-01 0.346E-01   -.292E-02 0.155E-02 -.119E-02
   0.142E+02 0.133E+01 0.220E+02   -.143E+02 -.137E+01 -.220E+02   0.455E-01 0.310E-01 0.284E-01   -.310E-02 0.879E-03 -.114E-02
   0.315E+01 -.267E+01 0.160E+02   -.315E+01 0.266E+01 -.160E+02   0.119E-01 -.950E-02 -.388E-01   -.294E-02 0.236E-02 -.595E-03
   -.939E+00 0.542E+00 0.178E+02   0.944E+00 -.545E+00 -.178E+02   0.559E-02 -.323E-02 -.297E-01   -.259E-02 0.149E-02 -.699E-03
   -.752E+00 0.121E+02 0.207E+02   0.755E+00 -.121E+02 -.207E+02   0.171E-01 0.816E-02 -.533E-01   -.311E-02 0.584E-03 -.103E-02
   0.995E+01 0.298E+02 0.400E+02   -.101E+02 -.300E+02 -.399E+02   0.145E+00 0.131E+00 -.103E+00   -.280E-02 -.103E-03 -.348E-02
   0.364E+02 0.639E+01 0.384E+02   -.368E+02 -.666E+01 -.389E+02   0.426E+00 0.269E+00 0.524E+00   -.409E-02 0.194E-02 -.473E-02
   0.178E+02 -.103E+02 0.191E+02   -.178E+02 0.103E+02 -.189E+02   0.344E-01 -.199E-01 -.150E+00   -.536E-02 0.309E-02 -.382E-03
   0.388E+01 -.139E+01 0.160E+02   -.388E+01 0.140E+01 -.160E+02   0.142E-01 -.554E-02 -.388E-01   -.351E-02 0.136E-02 -.601E-03
   -.319E+01 0.318E+01 0.189E+02   0.323E+01 -.319E+01 -.189E+02   -.201E-01 0.151E-02 0.277E-01   -.148E-02 0.162E-02 -.718E-03
   -.178E+02 0.207E+02 0.255E+02   0.180E+02 -.208E+02 -.256E+02   -.192E+00 0.120E+00 0.589E-01   -.284E-02 0.138E-02 -.153E-02
   -.334E+02 0.193E+02 0.479E+02   0.347E+02 -.200E+02 -.505E+02   -.122E+01 0.705E+00 0.263E+01   -.593E-03 0.345E-03 -.532E-02
   0.126E+02 -.347E+02 0.384E+02   -.126E+02 0.352E+02 -.389E+02   -.199E-01 -.503E+00 0.524E+00   -.372E-02 0.257E-02 -.473E-02
   0.597E+01 -.130E+02 0.220E+02   -.594E+01 0.130E+02 -.220E+02   -.412E-02 -.549E-01 0.284E-01   -.231E-02 0.224E-02 -.115E-02
   -.769E+00 -.363E+01 0.176E+02   0.785E+00 0.363E+01 -.176E+02   -.259E-02 -.154E-01 0.258E-01   -.258E-02 0.245E-02 -.615E-03
   -.923E+01 0.533E+01 0.164E+02   0.923E+01 -.533E+01 -.164E+02   0.856E-02 -.494E-02 0.373E-01   -.300E-02 0.174E-02 -.426E-03
   -.268E+02 0.509E+01 0.255E+02   0.270E+02 -.520E+01 -.256E+02   -.200E+00 0.107E+00 0.589E-01   -.261E-02 0.178E-02 -.152E-02
   -.209E+02 -.235E+02 0.400E+02   0.209E+02 0.237E+02 -.399E+02   -.412E-01 -.191E+00 -.103E+00   -.131E-02 0.247E-02 -.348E-02
   -.294E+01 -.180E+02 0.285E+02   0.296E+01 0.180E+02 -.285E+02   -.981E-02 -.587E-01 0.346E-01   -.280E-02 0.176E-02 -.120E-02
   0.190E+01 -.110E+01 0.219E+02   -.189E+01 0.109E+01 -.219E+02   0.492E-02 -.284E-02 0.194E-01   -.356E-02 0.206E-02 -.989E-03
   0.276E+01 0.248E+01 0.176E+02   -.275E+01 -.250E+01 -.176E+02   0.120E-01 0.993E-02 0.258E-01   -.341E-02 0.102E-02 -.610E-03
   -.435E+01 0.117E+01 0.189E+02   0.438E+01 -.120E+01 -.189E+02   -.114E-01 0.167E-01 0.277E-01   -.215E-02 0.479E-03 -.708E-03
   -.108E+02 -.539E+01 0.207E+02   0.109E+02 0.539E+01 -.207E+02   0.146E-02 -.189E-01 -.533E-01   -.206E-02 0.240E-02 -.102E-02
   -.552E+01 -.674E+01 0.248E+02   0.552E+01 0.676E+01 -.248E+02   0.420E-02 -.186E-01 -.253E-02   -.283E-02 0.219E-02 -.109E-02
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.291E-03 -.903E+01   -.204E-13 0.000E+00 0.316E-12   0.418E-15 -.191E-15 0.911E+01   0.613E-06 -.351E-06 -.883E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85231      6.06138     12.23136         0.000000      0.000000      0.000323
      1.85231      6.06138     14.01197         0.000000      0.000000     -0.004979
      1.85231      6.06138     14.78209         0.000000      0.000000     -0.010730
      0.00074     -0.00043      9.91665        -0.006204      0.003582     -0.003064
     11.11721      2.13709      9.92024        -0.004663     -0.004963     -0.003728
      9.88013      4.27707      9.94492        -0.017137      0.010519     -0.001064
      8.64574      6.41706      9.94483        -0.017079      0.012043     -0.001193
     -4.94006      8.55814      9.93548        -0.011554      0.006853     -0.003185
     -3.70613     10.69536      9.93548        -0.011711      0.006579     -0.003185
      1.23512      2.13659      9.94348        -0.006199      0.019393     -0.000735
     -0.00573      4.27667      9.99738        -0.014343     -0.003548      0.005504
     -1.24256      6.41650     10.00669        -0.007764     -0.001295      0.006137
     -2.46973      8.55671      9.95962        -0.001561      0.000901     -0.005701
      4.94101      0.00026      9.94483        -0.018969      0.008769     -0.001193
      3.70655      2.13416      9.95878        -0.018713      0.011835      0.003656
      2.47250      4.25578     10.07655        -0.000314      0.004659      0.008417
      1.21904      6.42700     10.22464        -0.004935      0.002849     -0.001073
     -0.00267      8.56407     10.00669        -0.002760      0.007372      0.006137
      7.41149      0.00125      9.94492        -0.017678      0.009581     -0.001064
      6.17606      2.13871      9.94645        -0.014356     -0.000356     -0.001785
      4.94267      4.27717      9.99690        -0.003235      0.001868     -0.002140
      3.72611      6.42709     10.07655        -0.004192     -0.002058      0.008417
      2.46890      8.56285      9.99738        -0.004099      0.014196      0.005504
      9.88330     -0.00010      9.92024         0.001967      0.006520     -0.003728
      8.64623      2.13892      9.92754        -0.007969      0.004601     -0.004375
      7.41132      4.27825      9.94645        -0.006870      0.012610     -0.001785
      6.18051      6.41918      9.95878        -0.019606      0.010289      0.003656
      4.94268      8.55829      9.94348        -0.019894     -0.004328     -0.000735
     -0.00073      1.42522      9.92024        -0.001967     -0.006520     -0.003728
     -1.23806      3.56448      9.94348         0.019894      0.004328     -0.000735
     -2.47589      5.70359      9.95878         0.019606     -0.010289      0.003656
     -3.70670      7.84452      9.94645         0.006870     -0.012610     -0.001785
     -4.94161      9.98385      9.92754         0.007969     -0.004601     -0.004375
      2.47107      1.42387      9.94492         0.017678     -0.009581     -0.001064
      1.23572      3.55992      9.99738         0.004099     -0.014196      0.005504
     -0.02149      5.69568     10.07655         0.004192      0.002058      0.008417
     -1.23805      7.84560      9.99690         0.003235     -0.001868     -0.002140
     -2.47144      9.98406      9.94645         0.014356      0.000356     -0.001785
      4.94156      1.42486      9.94483         0.018969     -0.008769     -0.001193
      3.70728      3.55870     10.00669         0.002760     -0.007372      0.006137
      2.48557      5.69577     10.22464         0.004935     -0.002849     -0.001073
      1.23211      7.86699     10.07655         0.000314     -0.004659      0.008417
     -0.00193      9.98861      9.95878         0.018713     -0.011835      0.003656
      7.41075      1.42741      9.93548         0.011711     -0.006579     -0.003185
      6.17434      3.56606      9.95962         0.001561     -0.000901     -0.005701
      4.94718      5.70627     10.00669         0.007764      0.001295      0.006137
      3.71034      7.84610      9.99738         0.014343      0.003548      0.005504
      2.46950      9.98617      9.94348         0.006199     -0.019393     -0.000735
      9.88182      1.42555      9.91665         0.006204     -0.003582     -0.003064
      8.64467      3.56463      9.93548         0.011554     -0.006853     -0.003185
      7.41228      5.70429      9.94483         0.017079     -0.012043     -0.001193
      6.17789      7.84428      9.94492         0.017137     -0.010519     -0.001064
      4.94082      9.98425      9.92024         0.004663      0.004963     -0.003728
 -----------------------------------------------------------------------------------
    total drift:                               -0.001801      0.000290     -0.005649


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000164  1 .order   -0.000208   -0.001077    0.000662
  (g-gl).g = 0.112E-02      g.g   = 0.127E-02  gl.gl    = 0.241E-01
 g(Force)  = 0.629E-03   g(Stress)= 0.644E-03 ortho     = 0.150E-03
 gamma     =   0.04660
 trial     =   0.84116
 opt step  =   0.52102  (harmonic =   0.52102) maximal distance =0.00103167
 next E    =  -470.339135   (d E  =  -0.00033)


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


    WAVPRE:  VPU time    1.96: CPU time    1.97
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  187.61: CPU time   93.86
     LOOP+:  VPU time 7635.44: CPU time 3940.94


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


    POTLOK:  VPU time    9.17: CPU time    9.18
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1815.94: CPU time  939.20
 BZINTS: Fermi energy: -2.839623;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.62: CPU time   57.97
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1940.27: CPU time 1006.88

 eigenvalue-minimisations  :  6088
 total energy-change (2. order) :-0.4703391E+03  (-0.8769904E-03)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1149076 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.34634E-02    rms(broyden)= 0.34625E-02
  rms(prec ) = 0.37537E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33936.24171182
  -1/2 Hartree   DENC   =    -40892.10323250
  -V(xc)+E(xc)   XCENC  =       726.68137620
  PAW double counting   =      4080.26012464    -4116.91700597
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.94196971
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33914192 eV

  energy without entropy =     -470.33914192  energy(sigma->0) =     -470.33914192


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




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


    POTLOK:  VPU time    9.10: CPU time    9.09
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1539.58: CPU time  794.53
 BZINTS: Fermi energy: -2.845717;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1549.09: CPU time  804.00

 eigenvalue-minimisations  :  4776
 total energy-change (2. order) : 0.1647966E-04  (-0.2267530E-04)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1149076 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33936.24171182
  -1/2 Hartree   DENC   =    -40892.13112938
  -V(xc)+E(xc)   XCENC  =       726.68199085
  PAW double counting   =      4080.26918587    -4116.92753506
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.91320314
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33912544 eV

  energy without entropy =     -470.33912544  energy(sigma->0) =     -470.33912544


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




 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 -57.8102       2 -41.9913       3 -42.1059       4 -57.9938       5 -57.9904
       6 -57.9920       7 -57.9918       8 -57.9920       9 -57.9920      10 -57.9979
      11 -58.0266      12 -58.0088      13 -58.0010      14 -57.9918      15 -57.9987
      16 -58.1529      17 -58.5615      18 -58.0088      19 -57.9920      20 -57.9936
      21 -58.0091      22 -58.1529      23 -58.0266      24 -57.9904      25 -57.9864
      26 -57.9937      27 -57.9987      28 -57.9979      29 -57.9903      30 -57.9978
      31 -57.9986      32 -57.9936      33 -57.9863      34 -57.9919      35 -58.0265
      36 -58.1528      37 -58.0090      38 -57.9936      39 -57.9917      40 -58.0087
      41 -58.5615      42 -58.1528      43 -57.9986      44 -57.9919      45 -58.0009
      46 -58.0087      47 -58.0265      48 -57.9978      49 -57.9937      50 -57.9919
      51 -57.9917      52 -57.9919      53 -57.9903
 
 
 
 E-fermi :  -2.8457     XC(G=0):  -2.3573     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     -22.0794      1.00000
      2     -21.2451      1.00000
      3     -21.1356      1.00000
      4     -21.1240      1.00000
      5     -21.1167      1.00000
      6     -21.0998      1.00000
      7     -21.0979      1.00000
      8     -19.3813      1.00000
      9     -19.3020      1.00000
     10     -19.2951      1.00000
     11     -19.2890      1.00000
     12     -19.2695      1.00000
     13     -19.2663      1.00000
     14     -18.4726      1.00000
     15     -18.4125      1.00000
     16     -18.4069      1.00000
     17     -18.3823      1.00000
     18     -18.3763      1.00000
     19     -18.3695      1.00000
     20     -16.3387      1.00000
     21     -16.2574      1.00000
     22     -16.2559      1.00000
     23     -16.2449      1.00000
     24     -16.2283      1.00000
     25     -16.2276      1.00000
     26     -15.3099      1.00000
     27     -15.2650      1.00000
     28     -15.2396      1.00000
     29     -15.2315      1.00000
     30     -15.2267      1.00000
     31     -15.2163      1.00000
     32     -13.9634      1.00000
     33     -13.9254      1.00000
     34     -13.9017      1.00000
     35     -13.8965      1.00000
     36     -13.8890      1.00000
     37     -13.8767      1.00000
     38     -11.7471      1.00000
     39     -11.5651      1.00000
     40     -11.5311      1.00000
     41     -11.5254      1.00000
     42     -11.5216      1.00000
     43     -11.5199      1.00000
     44     -11.4385      1.00000
     45     -11.4336      1.00000
     46     -11.4116      1.00000
     47     -11.3918      1.00000
     48     -11.3895      1.00000
     49     -11.3891      1.00000
     50     -11.1344      1.00000
     51     -10.2577      1.00000
     52     -10.0703      1.00000
     53     -10.0615      1.00000
     54     -10.0411      1.00000
     55     -10.0405      1.00000
     56     -10.0222      1.00000
     57      -9.9990      1.00000
     58      -9.4116      1.00000
     59      -9.1387      1.00000
     60      -9.0965      1.00000
     61      -9.0546      1.00000
     62      -9.0388      1.00000
     63      -9.0350      1.00000
     64      -8.8487      1.00000
     65      -8.7842      1.00000
     66      -8.7820      1.00000
     67      -8.7700      1.00000
     68      -8.7583      1.00000
     69      -8.7382      1.00000
     70      -8.7340      1.00000
     71      -8.7322      1.00000
     72      -8.7316      1.00000
     73      -8.7107      1.00000
     74      -8.6923      1.00000
     75      -8.6904      1.00000
     76      -7.3976      1.00000
     77      -7.2358      1.00000
     78      -7.1826      1.00000
     79      -7.1539      1.00000
     80      -7.1069      1.00000
     81      -7.1054      1.00000
     82      -7.0840      1.00000
     83      -7.0802      1.00000
     84      -6.9405      1.00000
     85      -6.9292      1.00000
     86      -6.9233      1.00000
     87      -6.9153      1.00000
     88      -6.3294      1.00000
     89      -6.2901      1.00000
     90      -6.0990      1.00000
     91      -6.0699      1.00000
     92      -6.0312      1.00000
     93      -6.0301      1.00000
     94      -5.6508      1.00000
     95      -5.6136      1.00000
     96      -4.9869      1.00000
     97      -4.6198      1.00000
     98      -4.2671      1.00000
     99      -4.2540      1.00000
    100      -4.0689      1.00000
    101      -4.0652      1.00000
    102      -4.0185      1.00000
    103      -3.8786      1.00000
    104      -3.5685      1.00000
    105      -3.4667      1.00000
    106      -3.4299      1.00000
    107      -1.8996      0.00000
    108      -1.2889      0.00000
    109      -1.2648      0.00000
    110      -1.2610      0.00000
    111      -1.2528      0.00000
    112      -1.2161      0.00000
    113      -1.0458      0.00000
    114       0.3624      0.00000
    115       0.4572      0.00000
    116       0.5331      0.00000
    117       0.5713      0.00000
    118       0.5867      0.00000
    119       0.5870      0.00000
    120       0.7578      0.00000
    121       1.2506      0.00000
    122       1.3223      0.00000
    123       1.3299      0.00000
    124       1.6545      0.00000
    125       1.9289      0.00000
    126       1.9337      0.00000
    127       1.9497      0.00000
    128       2.0199      0.00000
    129       2.1717      0.00000
    130       2.2904      0.00000
    131       2.2935      0.00000
    132       2.2947      0.00000
    133       2.2988      0.00000
    134       2.3043      0.00000
    135       2.3423      0.00000
    136       2.4065      0.00000
    137       2.5194      0.00000
    138       2.6607      0.00000
    139       2.6670      0.00000
    140       2.7118      0.00000
    141       2.7552      0.00000
    142       2.8447      0.00000
    143       2.8589      0.00000
    144       2.9943      0.00000
    145       3.0013      0.00000
    146       3.0104      0.00000
    147       3.0219      0.00000
    148       3.2754      0.00000
    149       3.4709      0.00000
    150       3.5942      0.00000
    151       3.7513      0.00000
    152       3.7606      0.00000
    153       3.9097      0.00000
    154       3.9237      0.00000
    155       3.9416      0.00000
    156       3.9794      0.00000
    157       4.1738      0.00000
    158       4.1781      0.00000
    159       4.3187      0.00000
    160       4.3268      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0424      1.00000
      2     -21.4829      1.00000
      3     -21.3009      1.00000
      4     -21.2681      1.00000
      5     -20.9319      1.00000
      6     -20.8945      1.00000
      7     -20.7202      1.00000
      8     -19.8292      1.00000
      9     -19.7895      1.00000
     10     -19.2798      1.00000
     11     -19.2497      1.00000
     12     -19.0822      1.00000
     13     -18.7588      1.00000
     14     -18.7222      1.00000
     15     -18.7114      1.00000
     16     -18.6989      1.00000
     17     -18.0336      1.00000
     18     -18.0088      1.00000
     19     -17.6867      1.00000
     20     -16.7479      1.00000
     21     -16.6925      1.00000
     22     -16.6195      1.00000
     23     -16.6038      1.00000
     24     -16.1446      1.00000
     25     -16.1233      1.00000
     26     -15.2947      1.00000
     27     -15.2652      1.00000
     28     -14.9411      1.00000
     29     -14.9012      1.00000
     30     -14.8433      1.00000
     31     -14.7633      1.00000
     32     -14.7358      1.00000
     33     -14.3755      1.00000
     34     -14.3578      1.00000
     35     -13.4126      1.00000
     36     -13.3875      1.00000
     37     -12.9089      1.00000
     38     -12.3074      1.00000
     39     -12.2527      1.00000
     40     -12.1277      1.00000
     41     -12.1084      1.00000
     42     -11.8265      1.00000
     43     -11.7753      1.00000
     44     -11.4412      1.00000
     45     -11.3502      1.00000
     46     -11.2026      1.00000
     47     -10.9021      1.00000
     48     -10.8906      1.00000
     49     -10.6870      1.00000
     50     -10.6732      1.00000
     51     -10.5946      1.00000
     52     -10.5695      1.00000
     53     -10.1913      1.00000
     54      -9.8286      1.00000
     55      -9.8190      1.00000
     56      -9.7732      1.00000
     57      -9.5762      1.00000
     58      -9.4012      1.00000
     59      -9.3718      1.00000
     60      -9.3104      1.00000
     61      -9.2837      1.00000
     62      -9.2493      1.00000
     63      -9.2036      1.00000
     64      -8.9853      1.00000
     65      -8.9759      1.00000
     66      -8.9272      1.00000
     67      -8.8827      1.00000
     68      -8.8181      1.00000
     69      -8.7829      1.00000
     70      -8.7738      1.00000
     71      -8.6107      1.00000
     72      -8.5455      1.00000
     73      -8.2979      1.00000
     74      -8.2686      1.00000
     75      -7.7839      1.00000
     76      -7.7211      1.00000
     77      -7.5668      1.00000
     78      -7.5353      1.00000
     79      -7.4342      1.00000
     80      -7.4296      1.00000
     81      -7.0736      1.00000
     82      -7.0479      1.00000
     83      -7.0206      1.00000
     84      -6.9834      1.00000
     85      -6.7930      1.00000
     86      -6.6969      1.00000
     87      -6.5531      1.00000
     88      -6.4658      1.00000
     89      -6.3665      1.00000
     90      -6.3053      1.00000
     91      -5.8414      1.00000
     92      -5.8131      1.00000
     93      -5.8015      1.00000
     94      -5.6902      1.00000
     95      -5.4785      1.00000
     96      -5.0500      1.00000
     97      -4.7420      1.00000
     98      -4.4593      1.00000
     99      -4.3727      1.00000
    100      -4.2102      1.00000
    101      -4.1662      1.00000
    102      -4.0195      1.00000
    103      -3.8298      1.00000
    104      -3.5247      1.00000
    105      -3.4564      1.00000
    106      -3.4046      1.00000
    107      -1.9192      0.00000
    108      -1.4347      0.00000
    109      -1.3141      0.00000
    110      -1.0120      0.00000
    111      -0.9753      0.00000
    112      -0.9586      0.00000
    113      -0.9107      0.00000
    114      -0.3120      0.00000
    115       0.0585      0.00000
    116       0.1042      0.00000
    117       0.7586      0.00000
    118       0.8725      0.00000
    119       1.0128      0.00000
    120       1.0789      0.00000
    121       1.2835      0.00000
    122       1.3654      0.00000
    123       1.4268      0.00000
    124       1.4948      0.00000
    125       1.5616      0.00000
    126       1.6746      0.00000
    127       1.7625      0.00000
    128       1.9635      0.00000
    129       1.9836      0.00000
    130       2.1182      0.00000
    131       2.2004      0.00000
    132       2.2596      0.00000
    133       2.3338      0.00000
    134       2.3720      0.00000
    135       2.4210      0.00000
    136       2.5335      0.00000
    137       2.7093      0.00000
    138       2.7378      0.00000
    139       2.7724      0.00000
    140       2.8268      0.00000
    141       2.8805      0.00000
    142       3.0552      0.00000
    143       3.1168      0.00000
    144       3.1228      0.00000
    145       3.1575      0.00000
    146       3.1866      0.00000
    147       3.2414      0.00000
    148       3.4209      0.00000
    149       3.4700      0.00000
    150       3.4940      0.00000
    151       3.5959      0.00000
    152       3.6034      0.00000
    153       3.7874      0.00000
    154       3.8556      0.00000
    155       3.9245      0.00000
    156       4.0265      0.00000
    157       4.1248      0.00000
    158       4.1391      0.00000
    159       4.1991      0.00000
    160       4.2977      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9340      1.00000
      2     -21.7352      1.00000
      3     -21.3773      1.00000
      4     -21.3427      1.00000
      5     -20.6386      1.00000
      6     -20.5982      1.00000
      7     -20.2756      1.00000
      8     -20.2357      1.00000
      9     -20.2263      1.00000
     10     -19.6952      1.00000
     11     -19.1759      1.00000
     12     -19.1427      1.00000
     13     -18.9767      1.00000
     14     -18.9577      1.00000
     15     -18.1165      1.00000
     16     -18.0728      1.00000
     17     -17.6002      1.00000
     18     -17.5707      1.00000
     19     -17.4287      1.00000
     20     -17.3885      1.00000
     21     -17.1117      1.00000
     22     -17.0889      1.00000
     23     -17.0112      1.00000
     24     -16.1400      1.00000
     25     -16.1198      1.00000
     26     -15.6251      1.00000
     27     -15.0952      1.00000
     28     -15.0677      1.00000
     29     -14.7772      1.00000
     30     -14.7530      1.00000
     31     -14.5442      1.00000
     32     -14.5109      1.00000
     33     -13.9602      1.00000
     34     -13.9240      1.00000
     35     -13.1175      1.00000
     36     -13.0720      1.00000
     37     -12.8684      1.00000
     38     -12.8390      1.00000
     39     -12.6454      1.00000
     40     -12.6307      1.00000
     41     -12.3097      1.00000
     42     -12.2770      1.00000
     43     -11.8795      1.00000
     44     -11.3709      1.00000
     45     -11.2069      1.00000
     46     -11.1537      1.00000
     47     -10.9602      1.00000
     48     -10.9507      1.00000
     49     -10.8108      1.00000
     50     -10.3506      1.00000
     51     -10.3339      1.00000
     52     -10.0952      1.00000
     53      -9.9891      1.00000
     54      -9.9846      1.00000
     55      -9.8434      1.00000
     56      -9.7869      1.00000
     57      -9.7818      1.00000
     58      -9.4638      1.00000
     59      -9.4453      1.00000
     60      -9.4006      1.00000
     61      -9.3709      1.00000
     62      -9.3535      1.00000
     63      -9.3234      1.00000
     64      -9.0335      1.00000
     65      -9.0212      1.00000
     66      -8.9880      1.00000
     67      -8.7031      1.00000
     68      -8.6344      1.00000
     69      -8.5450      1.00000
     70      -8.4772      1.00000
     71      -8.2745      1.00000
     72      -8.1905      1.00000
     73      -8.0710      1.00000
     74      -8.0561      1.00000
     75      -8.0120      1.00000
     76      -7.9580      1.00000
     77      -7.9338      1.00000
     78      -7.9275      1.00000
     79      -7.9054      1.00000
     80      -7.4693      1.00000
     81      -7.0715      1.00000
     82      -7.0297      1.00000
     83      -7.0197      1.00000
     84      -6.9193      1.00000
     85      -6.8965      1.00000
     86      -6.6636      1.00000
     87      -6.6552      1.00000
     88      -6.3056      1.00000
     89      -6.2425      1.00000
     90      -5.9760      1.00000
     91      -5.9102      1.00000
     92      -5.7348      1.00000
     93      -5.5219      1.00000
     94      -5.3946      1.00000
     95      -5.2324      1.00000
     96      -5.0661      1.00000
     97      -5.0027      1.00000
     98      -4.9023      1.00000
     99      -4.9010      1.00000
    100      -4.3200      1.00000
    101      -4.1615      1.00000
    102      -4.0617      1.00000
    103      -3.7734      1.00000
    104      -3.5601      1.00000
    105      -3.3587      1.00000
    106      -3.3485      1.00000
    107      -1.9434      0.00000
    108      -1.5321      0.00000
    109      -1.3413      0.00000
    110      -0.8298      0.00000
    111      -0.7069      0.00000
    112      -0.6621      0.00000
    113      -0.3480      0.00000
    114      -0.3129      0.00000
    115      -0.3029      0.00000
    116      -0.2836      0.00000
    117       0.4532      0.00000
    118       0.5384      0.00000
    119       0.8212      0.00000
    120       1.0777      0.00000
    121       1.1342      0.00000
    122       1.4142      0.00000
    123       1.5054      0.00000
    124       1.5553      0.00000
    125       1.6047      0.00000
    126       1.7069      0.00000
    127       1.8669      0.00000
    128       1.8926      0.00000
    129       1.9419      0.00000
    130       2.0504      0.00000
    131       2.0947      0.00000
    132       2.1942      0.00000
    133       2.3527      0.00000
    134       2.5178      0.00000
    135       2.6223      0.00000
    136       2.6547      0.00000
    137       2.7074      0.00000
    138       2.7559      0.00000
    139       2.9000      0.00000
    140       2.9670      0.00000
    141       3.0304      0.00000
    142       3.1971      0.00000
    143       3.2250      0.00000
    144       3.2547      0.00000
    145       3.3735      0.00000
    146       3.4134      0.00000
    147       3.4691      0.00000
    148       3.5387      0.00000
    149       3.6183      0.00000
    150       3.6395      0.00000
    151       3.6800      0.00000
    152       3.7006      0.00000
    153       3.8239      0.00000
    154       3.8950      0.00000
    155       3.9188      0.00000
    156       3.9372      0.00000
    157       3.9901      0.00000
    158       4.0196      0.00000
    159       4.0942      0.00000
    160       4.1018      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9693      1.00000
      2     -21.6106      1.00000
      3     -21.5616      1.00000
      4     -21.0371      1.00000
      5     -21.0135      1.00000
      6     -20.4915      1.00000
      7     -20.4439      1.00000
      8     -20.2842      1.00000
      9     -19.7357      1.00000
     10     -19.7340      1.00000
     11     -19.3789      1.00000
     12     -19.3573      1.00000
     13     -18.6579      1.00000
     14     -18.6542      1.00000
     15     -18.3034      1.00000
     16     -18.2919      1.00000
     17     -18.1250      1.00000
     18     -17.3545      1.00000
     19     -17.2930      1.00000
     20     -17.2804      1.00000
     21     -17.2539      1.00000
     22     -16.7881      1.00000
     23     -16.7736      1.00000
     24     -16.6267      1.00000
     25     -15.6630      1.00000
     26     -15.6082      1.00000
     27     -15.2522      1.00000
     28     -15.2417      1.00000
     29     -14.9740      1.00000
     30     -14.5293      1.00000
     31     -14.4990      1.00000
     32     -14.2524      1.00000
     33     -14.2127      1.00000
     34     -13.8396      1.00000
     35     -13.8327      1.00000
     36     -12.8127      1.00000
     37     -12.7580      1.00000
     38     -12.7175      1.00000
     39     -12.6937      1.00000
     40     -12.3878      1.00000
     41     -12.3793      1.00000
     42     -12.0066      1.00000
     43     -11.9807      1.00000
     44     -11.4430      1.00000
     45     -11.3064      1.00000
     46     -11.2448      1.00000
     47     -11.1249      1.00000
     48     -10.6063      1.00000
     49     -10.5918      1.00000
     50     -10.3037      1.00000
     51     -10.2911      1.00000
     52     -10.1721      1.00000
     53     -10.1708      1.00000
     54     -10.1118      1.00000
     55     -10.0998      1.00000
     56     -10.0219      1.00000
     57      -9.7105      1.00000
     58      -9.5822      1.00000
     59      -9.2841      1.00000
     60      -9.2269      1.00000
     61      -9.1522      1.00000
     62      -9.0832      1.00000
     63      -9.0654      1.00000
     64      -9.0446      1.00000
     65      -8.9990      1.00000
     66      -8.9682      1.00000
     67      -8.8624      1.00000
     68      -8.8288      1.00000
     69      -8.7841      1.00000
     70      -8.5365      1.00000
     71      -8.5299      1.00000
     72      -8.3978      1.00000
     73      -8.2802      1.00000
     74      -8.1261      1.00000
     75      -7.8834      1.00000
     76      -7.8460      1.00000
     77      -7.6010      1.00000
     78      -7.5345      1.00000
     79      -7.5029      1.00000
     80      -7.5001      1.00000
     81      -7.3869      1.00000
     82      -7.3761      1.00000
     83      -7.1326      1.00000
     84      -7.0768      1.00000
     85      -6.6054      1.00000
     86      -6.5820      1.00000
     87      -6.4817      1.00000
     88      -6.3525      1.00000
     89      -6.1145      1.00000
     90      -6.0515      1.00000
     91      -5.9795      1.00000
     92      -5.8993      1.00000
     93      -5.7323      1.00000
     94      -5.3409      1.00000
     95      -5.1662      1.00000
     96      -5.1262      1.00000
     97      -5.0550      1.00000
     98      -4.9027      1.00000
     99      -4.4515      1.00000
    100      -4.3962      1.00000
    101      -4.1597      1.00000
    102      -4.0374      1.00000
    103      -3.9406      1.00000
    104      -3.5532      1.00000
    105      -3.4899      1.00000
    106      -3.0592      1.00000
    107      -2.1236      0.00000
    108      -1.6024      0.00000
    109      -0.9398      0.00000
    110      -0.9075      0.00000
    111      -0.8424      0.00000
    112      -0.6370      0.00000
    113      -0.6279      0.00000
    114      -0.4965      0.00000
    115      -0.4840      0.00000
    116       0.4887      0.00000
    117       0.4923      0.00000
    118       0.5880      0.00000
    119       0.7904      0.00000
    120       1.0275      0.00000
    121       1.0829      0.00000
    122       1.2915      0.00000
    123       1.3023      0.00000
    124       1.4732      0.00000
    125       1.6347      0.00000
    126       1.7158      0.00000
    127       1.8362      0.00000
    128       2.0093      0.00000
    129       2.0582      0.00000
    130       2.0907      0.00000
    131       2.1681      0.00000
    132       2.3029      0.00000
    133       2.3458      0.00000
    134       2.4496      0.00000
    135       2.5459      0.00000
    136       2.7447      0.00000
    137       2.8029      0.00000
    138       2.8411      0.00000
    139       2.8821      0.00000
    140       2.9046      0.00000
    141       3.0516      0.00000
    142       3.0528      0.00000
    143       3.1239      0.00000
    144       3.1677      0.00000
    145       3.2577      0.00000
    146       3.3022      0.00000
    147       3.3695      0.00000
    148       3.4809      0.00000
    149       3.5827      0.00000
    150       3.6000      0.00000
    151       3.6760      0.00000
    152       3.6959      0.00000
    153       3.8029      0.00000
    154       3.8970      0.00000
    155       3.9554      0.00000
    156       3.9766      0.00000
    157       4.0015      0.00000
    158       4.0923      0.00000
    159       4.1674      0.00000
    160       4.1704      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8534      1.00000
      2     -21.7809      1.00000
      3     -21.6182      1.00000
      4     -21.0634      1.00000
      5     -20.7118      1.00000
      6     -20.6702      1.00000
      7     -20.1637      1.00000
      8     -20.1175      1.00000
      9     -19.9631      1.00000
     10     -19.9332      1.00000
     11     -19.6150      1.00000
     12     -19.5573      1.00000
     13     -18.5437      1.00000
     14     -18.4803      1.00000
     15     -18.0276      1.00000
     16     -17.9629      1.00000
     17     -17.8248      1.00000
     18     -17.7959      1.00000
     19     -17.4989      1.00000
     20     -17.4482      1.00000
     21     -16.9317      1.00000
     22     -16.9017      1.00000
     23     -16.8386      1.00000
     24     -16.7982      1.00000
     25     -15.7648      1.00000
     26     -15.5647      1.00000
     27     -15.5293      1.00000
     28     -15.4976      1.00000
     29     -14.9163      1.00000
     30     -14.2371      1.00000
     31     -14.1910      1.00000
     32     -13.9608      1.00000
     33     -13.6357      1.00000
     34     -13.6254      1.00000
     35     -13.4984      1.00000
     36     -13.4726      1.00000
     37     -13.2965      1.00000
     38     -13.2355      1.00000
     39     -13.0281      1.00000
     40     -12.2921      1.00000
     41     -11.9004      1.00000
     42     -11.8023      1.00000
     43     -11.7528      1.00000
     44     -11.6886      1.00000
     45     -11.3973      1.00000
     46     -11.3261      1.00000
     47     -11.1842      1.00000
     48     -10.8052      1.00000
     49     -10.7887      1.00000
     50     -10.4589      1.00000
     51     -10.4033      1.00000
     52     -10.0299      1.00000
     53      -9.8921      1.00000
     54      -9.8745      1.00000
     55      -9.8356      1.00000
     56      -9.6898      1.00000
     57      -9.6841      1.00000
     58      -9.6473      1.00000
     59      -9.4842      1.00000
     60      -9.4667      1.00000
     61      -9.4433      1.00000
     62      -9.4308      1.00000
     63      -9.1296      1.00000
     64      -9.0365      1.00000
     65      -8.7665      1.00000
     66      -8.7415      1.00000
     67      -8.7043      1.00000
     68      -8.6018      1.00000
     69      -8.5433      1.00000
     70      -8.3977      1.00000
     71      -8.3694      1.00000
     72      -8.2535      1.00000
     73      -8.2141      1.00000
     74      -8.1602      1.00000
     75      -8.1329      1.00000
     76      -8.0414      1.00000
     77      -7.9104      1.00000
     78      -7.7672      1.00000
     79      -7.7049      1.00000
     80      -7.5846      1.00000
     81      -7.4407      1.00000
     82      -7.2892      1.00000
     83      -7.2108      1.00000
     84      -6.6981      1.00000
     85      -6.6099      1.00000
     86      -6.5564      1.00000
     87      -6.4522      1.00000
     88      -6.2424      1.00000
     89      -6.1664      1.00000
     90      -6.1018      1.00000
     91      -5.9065      1.00000
     92      -5.6744      1.00000
     93      -5.5122      1.00000
     94      -5.4706      1.00000
     95      -5.2750      1.00000
     96      -5.1178      1.00000
     97      -4.9394      1.00000
     98      -4.9064      1.00000
     99      -4.9015      1.00000
    100      -4.4892      1.00000
    101      -4.1599      1.00000
    102      -4.0473      1.00000
    103      -3.9275      1.00000
    104      -3.5713      1.00000
    105      -3.5152      1.00000
    106      -2.8580      1.00000
    107      -2.2506      0.00000
    108      -1.6805      0.00000
    109      -0.9100      0.00000
    110      -0.8652      0.00000
    111      -0.8609      0.00000
    112      -0.7842      0.00000
    113      -0.1997      0.00000
    114      -0.1668      0.00000
    115      -0.0195      0.00000
    116       0.0022      0.00000
    117       0.2428      0.00000
    118       0.3238      0.00000
    119       0.7701      0.00000
    120       0.8563      0.00000
    121       0.9368      0.00000
    122       1.0577      0.00000
    123       1.2829      0.00000
    124       1.5170      0.00000
    125       1.5895      0.00000
    126       1.6764      0.00000
    127       1.9567      0.00000
    128       2.0214      0.00000
    129       2.0654      0.00000
    130       2.1190      0.00000
    131       2.3029      0.00000
    132       2.3700      0.00000
    133       2.4817      0.00000
    134       2.5801      0.00000
    135       2.6703      0.00000
    136       2.7606      0.00000
    137       2.9321      0.00000
    138       2.9875      0.00000
    139       3.0340      0.00000
    140       3.0539      0.00000
    141       3.1456      0.00000
    142       3.1632      0.00000
    143       3.1812      0.00000
    144       3.2190      0.00000
    145       3.3295      0.00000
    146       3.3928      0.00000
    147       3.4479      0.00000
    148       3.4676      0.00000
    149       3.4957      0.00000
    150       3.5391      0.00000
    151       3.5724      0.00000
    152       3.5994      0.00000
    153       3.6304      0.00000
    154       3.6942      0.00000
    155       3.7851      0.00000
    156       3.8934      0.00000
    157       3.9466      0.00000
    158       4.0427      0.00000
    159       4.1867      0.00000
    160       4.2012      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9688      1.00000
      2     -21.6168      1.00000
      3     -21.5555      1.00000
      4     -21.0460      1.00000
      5     -21.0044      1.00000
      6     -20.4971      1.00000
      7     -20.4380      1.00000
      8     -20.2835      1.00000
      9     -19.7565      1.00000
     10     -19.7158      1.00000
     11     -19.3853      1.00000
     12     -19.3488      1.00000
     13     -18.6790      1.00000
     14     -18.6354      1.00000
     15     -18.3218      1.00000
     16     -18.2758      1.00000
     17     -18.1243      1.00000
     18     -17.3431      1.00000
     19     -17.2991      1.00000
     20     -17.2727      1.00000
     21     -17.2465      1.00000
     22     -16.8134      1.00000
     23     -16.7578      1.00000
     24     -16.6412      1.00000
     25     -15.6884      1.00000
     26     -15.5781      1.00000
     27     -15.2743      1.00000
     28     -15.2347      1.00000
     29     -14.9412      1.00000
     30     -14.5602      1.00000
     31     -14.4927      1.00000
     32     -14.2477      1.00000
     33     -14.2057      1.00000
     34     -13.8361      1.00000
     35     -13.8251      1.00000
     36     -12.8647      1.00000
     37     -12.7597      1.00000
     38     -12.6991      1.00000
     39     -12.6841      1.00000
     40     -12.4095      1.00000
     41     -12.3610      1.00000
     42     -12.0079      1.00000
     43     -11.9844      1.00000
     44     -11.3774      1.00000
     45     -11.2926      1.00000
     46     -11.2337      1.00000
     47     -11.1806      1.00000
     48     -10.6052      1.00000
     49     -10.5901      1.00000
     50     -10.3398      1.00000
     51     -10.2659      1.00000
     52     -10.2130      1.00000
     53     -10.1687      1.00000
     54     -10.1278      1.00000
     55     -10.0738      1.00000
     56     -10.0226      1.00000
     57      -9.7125      1.00000
     58      -9.5771      1.00000
     59      -9.2896      1.00000
     60      -9.2244      1.00000
     61      -9.1305      1.00000
     62      -9.0974      1.00000
     63      -9.0751      1.00000
     64      -9.0448      1.00000
     65      -9.0062      1.00000
     66      -8.9536      1.00000
     67      -8.8422      1.00000
     68      -8.7998      1.00000
     69      -8.7808      1.00000
     70      -8.5427      1.00000
     71      -8.5321      1.00000
     72      -8.4111      1.00000
     73      -8.2700      1.00000
     74      -8.1548      1.00000
     75      -7.8757      1.00000
     76      -7.8465      1.00000
     77      -7.6338      1.00000
     78      -7.5406      1.00000
     79      -7.5034      1.00000
     80      -7.4526      1.00000
     81      -7.3957      1.00000
     82      -7.3601      1.00000
     83      -7.1626      1.00000
     84      -7.0497      1.00000
     85      -6.6273      1.00000
     86      -6.5857      1.00000
     87      -6.4942      1.00000
     88      -6.3063      1.00000
     89      -6.0981      1.00000
     90      -6.0435      1.00000
     91      -5.9816      1.00000
     92      -5.8756      1.00000
     93      -5.7957      1.00000
     94      -5.4812      1.00000
     95      -5.2693      1.00000
     96      -5.0632      1.00000
     97      -4.9041      1.00000
     98      -4.7697      1.00000
     99      -4.5158      1.00000
    100      -4.4350      1.00000
    101      -4.1736      1.00000
    102      -4.0052      1.00000
    103      -3.8639      1.00000
    104      -3.5954      1.00000
    105      -3.5212      1.00000
    106      -3.1682      1.00000
    107      -1.9278      0.00000
    108      -1.6947      0.00000
    109      -0.9866      0.00000
    110      -0.8969      0.00000
    111      -0.8735      0.00000
    112      -0.6338      0.00000
    113      -0.5817      0.00000
    114      -0.4929      0.00000
    115      -0.4668      0.00000
    116       0.3742      0.00000
    117       0.5308      0.00000
    118       0.5759      0.00000
    119       0.8124      0.00000
    120       1.0912      0.00000
    121       1.0984      0.00000
    122       1.2241      0.00000
    123       1.3540      0.00000
    124       1.4681      0.00000
    125       1.5994      0.00000
    126       1.7396      0.00000
    127       1.8336      0.00000
    128       1.9954      0.00000
    129       2.0662      0.00000
    130       2.0938      0.00000
    131       2.1579      0.00000
    132       2.3424      0.00000
    133       2.3572      0.00000
    134       2.4559      0.00000
    135       2.5057      0.00000
    136       2.7505      0.00000
    137       2.8016      0.00000
    138       2.8411      0.00000
    139       2.8764      0.00000
    140       2.9142      0.00000
    141       3.0340      0.00000
    142       3.0479      0.00000
    143       3.1276      0.00000
    144       3.1663      0.00000
    145       3.2637      0.00000
    146       3.3095      0.00000
    147       3.3799      0.00000
    148       3.4802      0.00000
    149       3.5711      0.00000
    150       3.6083      0.00000
    151       3.6808      0.00000
    152       3.6929      0.00000
    153       3.7986      0.00000
    154       3.9033      0.00000
    155       3.9280      0.00000
    156       3.9837      0.00000
    157       4.0009      0.00000
    158       4.1055      0.00000
    159       4.1329      0.00000
    160       4.1623      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0423      1.00000
      2     -21.4847      1.00000
      3     -21.2968      1.00000
      4     -21.2698      1.00000
      5     -20.9316      1.00000
      6     -20.8969      1.00000
      7     -20.7184      1.00000
      8     -19.8279      1.00000
      9     -19.7910      1.00000
     10     -19.2807      1.00000
     11     -19.2527      1.00000
     12     -19.0768      1.00000
     13     -18.7660      1.00000
     14     -18.7241      1.00000
     15     -18.7066      1.00000
     16     -18.6969      1.00000
     17     -18.0338      1.00000
     18     -18.0125      1.00000
     19     -17.6793      1.00000
     20     -16.7378      1.00000
     21     -16.6916      1.00000
     22     -16.6240      1.00000
     23     -16.6065      1.00000
     24     -16.1606      1.00000
     25     -16.1277      1.00000
     26     -15.2788      1.00000
     27     -15.2610      1.00000
     28     -14.9063      1.00000
     29     -14.8980      1.00000
     30     -14.8747      1.00000
     31     -14.7799      1.00000
     32     -14.7354      1.00000
     33     -14.3737      1.00000
     34     -14.3549      1.00000
     35     -13.4085      1.00000
     36     -13.3827      1.00000
     37     -12.9147      1.00000
     38     -12.3493      1.00000
     39     -12.2493      1.00000
     40     -12.1277      1.00000
     41     -12.1146      1.00000
     42     -11.7811      1.00000
     43     -11.7634      1.00000
     44     -11.3904      1.00000
     45     -11.3618      1.00000
     46     -11.2617      1.00000
     47     -10.9009      1.00000
     48     -10.8957      1.00000
     49     -10.6768      1.00000
     50     -10.6744      1.00000
     51     -10.5978      1.00000
     52     -10.5567      1.00000
     53     -10.1995      1.00000
     54      -9.8757      1.00000
     55      -9.8209      1.00000
     56      -9.7608      1.00000
     57      -9.5685      1.00000
     58      -9.3691      1.00000
     59      -9.3569      1.00000
     60      -9.3252      1.00000
     61      -9.2993      1.00000
     62      -9.2349      1.00000
     63      -9.1988      1.00000
     64      -8.9951      1.00000
     65      -8.9705      1.00000
     66      -8.9196      1.00000
     67      -8.9077      1.00000
     68      -8.8005      1.00000
     69      -8.7900      1.00000
     70      -8.7787      1.00000
     71      -8.6123      1.00000
     72      -8.5431      1.00000
     73      -8.2724      1.00000
     74      -8.2641      1.00000
     75      -7.8184      1.00000
     76      -7.7254      1.00000
     77      -7.5752      1.00000
     78      -7.4999      1.00000
     79      -7.4598      1.00000
     80      -7.4211      1.00000
     81      -7.1398      1.00000
     82      -6.9921      1.00000
     83      -6.9691      1.00000
     84      -6.9390      1.00000
     85      -6.8825      1.00000
     86      -6.6801      1.00000
     87      -6.5611      1.00000
     88      -6.4404      1.00000
     89      -6.3909      1.00000
     90      -6.3074      1.00000
     91      -5.8652      1.00000
     92      -5.7928      1.00000
     93      -5.7691      1.00000
     94      -5.6544      1.00000
     95      -5.5966      1.00000
     96      -5.0449      1.00000
     97      -4.6206      1.00000
     98      -4.5251      1.00000
     99      -4.3635      1.00000
    100      -4.2391      1.00000
    101      -4.1836      1.00000
    102      -3.8335      1.00000
    103      -3.8016      1.00000
    104      -3.7317      1.00000
    105      -3.4525      1.00000
    106      -3.4219      1.00000
    107      -1.8110      0.00000
    108      -1.4355      0.00000
    109      -1.3861      0.00000
    110      -1.0268      0.00000
    111      -1.0025      0.00000
    112      -0.9790      0.00000
    113      -0.8555      0.00000
    114      -0.2681      0.00000
    115       0.0424      0.00000
    116       0.0724      0.00000
    117       0.7420      0.00000
    118       0.9082      0.00000
    119       0.9326      0.00000
    120       1.2032      0.00000
    121       1.2652      0.00000
    122       1.3536      0.00000
    123       1.4301      0.00000
    124       1.4720      0.00000
    125       1.5461      0.00000
    126       1.6827      0.00000
    127       1.7606      0.00000
    128       1.9601      0.00000
    129       1.9789      0.00000
    130       2.1652      0.00000
    131       2.1999      0.00000
    132       2.2305      0.00000
    133       2.3315      0.00000
    134       2.3846      0.00000
    135       2.4207      0.00000
    136       2.5375      0.00000
    137       2.7068      0.00000
    138       2.7351      0.00000
    139       2.7813      0.00000
    140       2.8135      0.00000
    141       2.8706      0.00000
    142       3.0444      0.00000
    143       3.1284      0.00000
    144       3.1469      0.00000
    145       3.1649      0.00000
    146       3.2129      0.00000
    147       3.2278      0.00000
    148       3.4194      0.00000
    149       3.4213      0.00000
    150       3.4922      0.00000
    151       3.5998      0.00000
    152       3.6048      0.00000
    153       3.7835      0.00000
    154       3.8532      0.00000
    155       3.9221      0.00000
    156       3.9996      0.00000
    157       4.1316      0.00000
    158       4.1574      0.00000
    159       4.2046      0.00000
    160       4.3136      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8494      1.00000
      2     -21.7868      1.00000
      3     -21.6162      1.00000
      4     -21.0638      1.00000
      5     -20.7023      1.00000
      6     -20.6796      1.00000
      7     -20.1538      1.00000
      8     -20.1280      1.00000
      9     -19.9484      1.00000
     10     -19.9476      1.00000
     11     -19.6083      1.00000
     12     -19.5636      1.00000
     13     -18.5436      1.00000
     14     -18.4871      1.00000
     15     -17.9972      1.00000
     16     -17.9824      1.00000
     17     -17.8152      1.00000
     18     -17.8096      1.00000
     19     -17.4785      1.00000
     20     -17.4637      1.00000
     21     -16.9359      1.00000
     22     -16.9084      1.00000
     23     -16.8228      1.00000
     24     -16.8033      1.00000
     25     -15.7951      1.00000
     26     -15.5338      1.00000
     27     -15.5319      1.00000
     28     -15.5161      1.00000
     29     -14.8930      1.00000
     30     -14.2224      1.00000
     31     -14.2017      1.00000
     32     -13.9385      1.00000
     33     -13.6705      1.00000
     34     -13.6298      1.00000
     35     -13.4978      1.00000
     36     -13.4830      1.00000
     37     -13.2725      1.00000
     38     -13.2447      1.00000
     39     -13.0325      1.00000
     40     -12.3184      1.00000
     41     -11.8412      1.00000
     42     -11.8274      1.00000
     43     -11.7225      1.00000
     44     -11.6872      1.00000
     45     -11.4156      1.00000
     46     -11.3441      1.00000
     47     -11.1756      1.00000
     48     -10.8056      1.00000
     49     -10.7962      1.00000
     50     -10.4575      1.00000
     51     -10.4023      1.00000
     52     -10.0393      1.00000
     53      -9.8800      1.00000
     54      -9.8707      1.00000
     55      -9.8510      1.00000
     56      -9.7026      1.00000
     57      -9.6648      1.00000
     58      -9.6479      1.00000
     59      -9.4956      1.00000
     60      -9.4682      1.00000
     61      -9.4451      1.00000
     62      -9.4341      1.00000
     63      -9.1288      1.00000
     64      -9.0332      1.00000
     65      -8.7673      1.00000
     66      -8.7319      1.00000
     67      -8.6730      1.00000
     68      -8.6312      1.00000
     69      -8.5356      1.00000
     70      -8.3825      1.00000
     71      -8.3742      1.00000
     72      -8.2414      1.00000
     73      -8.2208      1.00000
     74      -8.1343      1.00000
     75      -8.1343      1.00000
     76      -8.0102      1.00000
     77      -7.9747      1.00000
     78      -7.7679      1.00000
     79      -7.7297      1.00000
     80      -7.6260      1.00000
     81      -7.3741      1.00000
     82      -7.2946      1.00000
     83      -7.1856      1.00000
     84      -6.7408      1.00000
     85      -6.6340      1.00000
     86      -6.5635      1.00000
     87      -6.3090      1.00000
     88      -6.2297      1.00000
     89      -6.1673      1.00000
     90      -6.1354      1.00000
     91      -6.0570      1.00000
     92      -5.6749      1.00000
     93      -5.4879      1.00000
     94      -5.4528      1.00000
     95      -5.3000      1.00000
     96      -5.0922      1.00000
     97      -4.9197      1.00000
     98      -4.9108      1.00000
     99      -4.8773      1.00000
    100      -4.4594      1.00000
    101      -4.1497      1.00000
    102      -4.0229      1.00000
    103      -3.9550      1.00000
    104      -3.5842      1.00000
    105      -3.5332      1.00000
    106      -2.9598      1.00000
    107      -2.1052      0.00000
    108      -1.7300      0.00000
    109      -0.8669      0.00000
    110      -0.8643      0.00000
    111      -0.8571      0.00000
    112      -0.8330      0.00000
    113      -0.1880      0.00000
    114      -0.1726      0.00000
    115      -0.0398      0.00000
    116      -0.0166      0.00000
    117       0.2948      0.00000
    118       0.3014      0.00000
    119       0.7486      0.00000
    120       0.8492      0.00000
    121       0.9894      0.00000
    122       1.0300      0.00000
    123       1.2443      0.00000
    124       1.5709      0.00000
    125       1.5768      0.00000
    126       1.6549      0.00000
    127       1.9634      0.00000
    128       2.0249      0.00000
    129       2.0646      0.00000
    130       2.1295      0.00000
    131       2.3014      0.00000
    132       2.3698      0.00000
    133       2.5390      0.00000
    134       2.5546      0.00000
    135       2.6543      0.00000
    136       2.8272      0.00000
    137       2.9253      0.00000
    138       2.9572      0.00000
    139       3.0257      0.00000
    140       3.0543      0.00000
    141       3.1178      0.00000
    142       3.1608      0.00000
    143       3.1962      0.00000
    144       3.2136      0.00000
    145       3.3329      0.00000
    146       3.3847      0.00000
    147       3.4326      0.00000
    148       3.4706      0.00000
    149       3.5040      0.00000
    150       3.5388      0.00000
    151       3.5598      0.00000
    152       3.5766      0.00000
    153       3.6292      0.00000
    154       3.6809      0.00000
    155       3.8020      0.00000
    156       3.9137      0.00000
    157       3.9466      0.00000
    158       4.0423      0.00000
    159       4.1748      0.00000
    160       4.1964      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9328      1.00000
      2     -21.7376      1.00000
      3     -21.3740      1.00000
      4     -21.3446      1.00000
      5     -20.6370      1.00000
      6     -20.6001      1.00000
      7     -20.2670      1.00000
      8     -20.2391      1.00000
      9     -20.2308      1.00000
     10     -19.6949      1.00000
     11     -19.1730      1.00000
     12     -19.1446      1.00000
     13     -18.9778      1.00000
     14     -18.9631      1.00000
     15     -18.1084      1.00000
     16     -18.0735      1.00000
     17     -17.5991      1.00000
     18     -17.5748      1.00000
     19     -17.4245      1.00000
     20     -17.3876      1.00000
     21     -17.1130      1.00000
     22     -17.0910      1.00000
     23     -17.0014      1.00000
     24     -16.1591      1.00000
     25     -16.1230      1.00000
     26     -15.6414      1.00000
     27     -15.0823      1.00000
     28     -15.0637      1.00000
     29     -14.7715      1.00000
     30     -14.7493      1.00000
     31     -14.5123      1.00000
     32     -14.5055      1.00000
     33     -13.9898      1.00000
     34     -13.9222      1.00000
     35     -13.1483      1.00000
     36     -13.0691      1.00000
     37     -12.8577      1.00000
     38     -12.8330      1.00000
     39     -12.6616      1.00000
     40     -12.6397      1.00000
     41     -12.2924      1.00000
     42     -12.2696      1.00000
     43     -11.8841      1.00000
     44     -11.2728      1.00000
     45     -11.2493      1.00000
     46     -11.1797      1.00000
     47     -10.9819      1.00000
     48     -10.9397      1.00000
     49     -10.8103      1.00000
     50     -10.3767      1.00000
     51     -10.3359      1.00000
     52     -10.0937      1.00000
     53      -9.9850      1.00000
     54      -9.9848      1.00000
     55      -9.8561      1.00000
     56      -9.7969      1.00000
     57      -9.7639      1.00000
     58      -9.4811      1.00000
     59      -9.4210      1.00000
     60      -9.3903      1.00000
     61      -9.3763      1.00000
     62      -9.3683      1.00000
     63      -9.3200      1.00000
     64      -9.0367      1.00000
     65      -9.0211      1.00000
     66      -8.9891      1.00000
     67      -8.6547      1.00000
     68      -8.6356      1.00000
     69      -8.5811      1.00000
     70      -8.4580      1.00000
     71      -8.2622      1.00000
     72      -8.1970      1.00000
     73      -8.0974      1.00000
     74      -8.0595      1.00000
     75      -7.9734      1.00000
     76      -7.9680      1.00000
     77      -7.9322      1.00000
     78      -7.9126      1.00000
     79      -7.9017      1.00000
     80      -7.4901      1.00000
     81      -7.2159      1.00000
     82      -7.0256      1.00000
     83      -6.9412      1.00000
     84      -6.8765      1.00000
     85      -6.8233      1.00000
     86      -6.6740      1.00000
     87      -6.6342      1.00000
     88      -6.2878      1.00000
     89      -6.2639      1.00000
     90      -6.1415      1.00000
     91      -5.9477      1.00000
     92      -5.6324      1.00000
     93      -5.5180      1.00000
     94      -5.3932      1.00000
     95      -5.3192      1.00000
     96      -5.0081      1.00000
     97      -4.9735      1.00000
     98      -4.9076      1.00000
     99      -4.8801      1.00000
    100      -4.2450      1.00000
    101      -4.1672      1.00000
    102      -3.9702      1.00000
    103      -3.7943      1.00000
    104      -3.6110      1.00000
    105      -3.5040      1.00000
    106      -3.3595      1.00000
    107      -1.7464      0.00000
    108      -1.5224      0.00000
    109      -1.4827      0.00000
    110      -0.7661      0.00000
    111      -0.7147      0.00000
    112      -0.6999      0.00000
    113      -0.3514      0.00000
    114      -0.3428      0.00000
    115      -0.2947      0.00000
    116      -0.2786      0.00000
    117       0.4671      0.00000
    118       0.5378      0.00000
    119       0.8215      0.00000
    120       1.0682      0.00000
    121       1.1239      0.00000
    122       1.3334      0.00000
    123       1.5332      0.00000
    124       1.5452      0.00000
    125       1.6281      0.00000
    126       1.7244      0.00000
    127       1.8625      0.00000
    128       1.9036      0.00000
    129       1.9450      0.00000
    130       2.0296      0.00000
    131       2.1461      0.00000
    132       2.2680      0.00000
    133       2.3543      0.00000
    134       2.5008      0.00000
    135       2.6230      0.00000
    136       2.6575      0.00000
    137       2.6890      0.00000
    138       2.7589      0.00000
    139       2.8950      0.00000
    140       2.9381      0.00000
    141       3.0305      0.00000
    142       3.1970      0.00000
    143       3.2240      0.00000
    144       3.2530      0.00000
    145       3.3642      0.00000
    146       3.3998      0.00000
    147       3.4691      0.00000
    148       3.5687      0.00000
    149       3.6348      0.00000
    150       3.6369      0.00000
    151       3.6606      0.00000
    152       3.7043      0.00000
    153       3.8252      0.00000
    154       3.8645      0.00000
    155       3.9176      0.00000
    156       3.9188      0.00000
    157       3.9995      0.00000
    158       4.0380      0.00000
    159       4.0864      0.00000
    160       4.0868      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0794      1.00000
      2     -21.2451      1.00000
      3     -21.1356      1.00000
      4     -21.1240      1.00000
      5     -21.1167      1.00000
      6     -21.0998      1.00000
      7     -21.0979      1.00000
      8     -19.3813      1.00000
      9     -19.3020      1.00000
     10     -19.2951      1.00000
     11     -19.2890      1.00000
     12     -19.2695      1.00000
     13     -19.2663      1.00000
     14     -18.4726      1.00000
     15     -18.4125      1.00000
     16     -18.4069      1.00000
     17     -18.3823      1.00000
     18     -18.3763      1.00000
     19     -18.3695      1.00000
     20     -16.3387      1.00000
     21     -16.2574      1.00000
     22     -16.2559      1.00000
     23     -16.2449      1.00000
     24     -16.2283      1.00000
     25     -16.2276      1.00000
     26     -15.3099      1.00000
     27     -15.2650      1.00000
     28     -15.2396      1.00000
     29     -15.2315      1.00000
     30     -15.2267      1.00000
     31     -15.2163      1.00000
     32     -13.9634      1.00000
     33     -13.9254      1.00000
     34     -13.9017      1.00000
     35     -13.8965      1.00000
     36     -13.8890      1.00000
     37     -13.8767      1.00000
     38     -11.7471      1.00000
     39     -11.5651      1.00000
     40     -11.5311      1.00000
     41     -11.5254      1.00000
     42     -11.5216      1.00000
     43     -11.5199      1.00000
     44     -11.4385      1.00000
     45     -11.4336      1.00000
     46     -11.4116      1.00000
     47     -11.3918      1.00000
     48     -11.3895      1.00000
     49     -11.3891      1.00000
     50     -11.1344      1.00000
     51     -10.2577      1.00000
     52     -10.0703      1.00000
     53     -10.0615      1.00000
     54     -10.0411      1.00000
     55     -10.0405      1.00000
     56     -10.0222      1.00000
     57      -9.9990      1.00000
     58      -9.4116      1.00000
     59      -9.1387      1.00000
     60      -9.0965      1.00000
     61      -9.0546      1.00000
     62      -9.0388      1.00000
     63      -9.0350      1.00000
     64      -8.8487      1.00000
     65      -8.7842      1.00000
     66      -8.7820      1.00000
     67      -8.7700      1.00000
     68      -8.7583      1.00000
     69      -8.7382      1.00000
     70      -8.7340      1.00000
     71      -8.7322      1.00000
     72      -8.7316      1.00000
     73      -8.7107      1.00000
     74      -8.6923      1.00000
     75      -8.6904      1.00000
     76      -7.3976      1.00000
     77      -7.2358      1.00000
     78      -7.1826      1.00000
     79      -7.1539      1.00000
     80      -7.1069      1.00000
     81      -7.1054      1.00000
     82      -7.0840      1.00000
     83      -7.0802      1.00000
     84      -6.9405      1.00000
     85      -6.9292      1.00000
     86      -6.9233      1.00000
     87      -6.9153      1.00000
     88      -6.3294      1.00000
     89      -6.2901      1.00000
     90      -6.0990      1.00000
     91      -6.0699      1.00000
     92      -6.0312      1.00000
     93      -6.0301      1.00000
     94      -5.6508      1.00000
     95      -5.6136      1.00000
     96      -4.9869      1.00000
     97      -4.6198      1.00000
     98      -4.2671      1.00000
     99      -4.2540      1.00000
    100      -4.0689      1.00000
    101      -4.0652      1.00000
    102      -4.0185      1.00000
    103      -3.8786      1.00000
    104      -3.5685      1.00000
    105      -3.4667      1.00000
    106      -3.4299      1.00000
    107      -1.8996      0.00000
    108      -1.2889      0.00000
    109      -1.2648      0.00000
    110      -1.2610      0.00000
    111      -1.2528      0.00000
    112      -1.2161      0.00000
    113      -1.0458      0.00000
    114       0.3624      0.00000
    115       0.4572      0.00000
    116       0.5331      0.00000
    117       0.5713      0.00000
    118       0.5867      0.00000
    119       0.5870      0.00000
    120       0.7578      0.00000
    121       1.2506      0.00000
    122       1.3223      0.00000
    123       1.3299      0.00000
    124       1.6544      0.00000
    125       1.9289      0.00000
    126       1.9337      0.00000
    127       1.9497      0.00000
    128       2.0199      0.00000
    129       2.1717      0.00000
    130       2.2904      0.00000
    131       2.2935      0.00000
    132       2.2947      0.00000
    133       2.2988      0.00000
    134       2.3043      0.00000
    135       2.3423      0.00000
    136       2.4065      0.00000
    137       2.5194      0.00000
    138       2.6607      0.00000
    139       2.6670      0.00000
    140       2.7118      0.00000
    141       2.7552      0.00000
    142       2.8447      0.00000
    143       2.8589      0.00000
    144       2.9943      0.00000
    145       3.0013      0.00000
    146       3.0104      0.00000
    147       3.0219      0.00000
    148       3.2754      0.00000
    149       3.4708      0.00000
    150       3.5941      0.00000
    151       3.7513      0.00000
    152       3.7606      0.00000
    153       3.9097      0.00000
    154       3.9237      0.00000
    155       3.9416      0.00000
    156       3.9794      0.00000
    157       4.1738      0.00000
    158       4.1781      0.00000
    159       4.3187      0.00000
    160       4.3268      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0424      1.00000
      2     -21.4829      1.00000
      3     -21.3009      1.00000
      4     -21.2681      1.00000
      5     -20.9319      1.00000
      6     -20.8945      1.00000
      7     -20.7202      1.00000
      8     -19.8292      1.00000
      9     -19.7895      1.00000
     10     -19.2798      1.00000
     11     -19.2497      1.00000
     12     -19.0822      1.00000
     13     -18.7588      1.00000
     14     -18.7222      1.00000
     15     -18.7114      1.00000
     16     -18.6989      1.00000
     17     -18.0336      1.00000
     18     -18.0088      1.00000
     19     -17.6867      1.00000
     20     -16.7479      1.00000
     21     -16.6925      1.00000
     22     -16.6195      1.00000
     23     -16.6038      1.00000
     24     -16.1446      1.00000
     25     -16.1233      1.00000
     26     -15.2947      1.00000
     27     -15.2652      1.00000
     28     -14.9411      1.00000
     29     -14.9012      1.00000
     30     -14.8433      1.00000
     31     -14.7633      1.00000
     32     -14.7358      1.00000
     33     -14.3755      1.00000
     34     -14.3578      1.00000
     35     -13.4126      1.00000
     36     -13.3875      1.00000
     37     -12.9089      1.00000
     38     -12.3074      1.00000
     39     -12.2527      1.00000
     40     -12.1277      1.00000
     41     -12.1084      1.00000
     42     -11.8265      1.00000
     43     -11.7753      1.00000
     44     -11.4412      1.00000
     45     -11.3502      1.00000
     46     -11.2026      1.00000
     47     -10.9021      1.00000
     48     -10.8906      1.00000
     49     -10.6870      1.00000
     50     -10.6732      1.00000
     51     -10.5946      1.00000
     52     -10.5695      1.00000
     53     -10.1913      1.00000
     54      -9.8286      1.00000
     55      -9.8190      1.00000
     56      -9.7732      1.00000
     57      -9.5762      1.00000
     58      -9.4012      1.00000
     59      -9.3718      1.00000
     60      -9.3104      1.00000
     61      -9.2837      1.00000
     62      -9.2493      1.00000
     63      -9.2036      1.00000
     64      -8.9853      1.00000
     65      -8.9759      1.00000
     66      -8.9272      1.00000
     67      -8.8827      1.00000
     68      -8.8181      1.00000
     69      -8.7829      1.00000
     70      -8.7738      1.00000
     71      -8.6107      1.00000
     72      -8.5455      1.00000
     73      -8.2979      1.00000
     74      -8.2686      1.00000
     75      -7.7839      1.00000
     76      -7.7211      1.00000
     77      -7.5668      1.00000
     78      -7.5353      1.00000
     79      -7.4342      1.00000
     80      -7.4296      1.00000
     81      -7.0736      1.00000
     82      -7.0479      1.00000
     83      -7.0206      1.00000
     84      -6.9834      1.00000
     85      -6.7930      1.00000
     86      -6.6969      1.00000
     87      -6.5531      1.00000
     88      -6.4658      1.00000
     89      -6.3665      1.00000
     90      -6.3053      1.00000
     91      -5.8414      1.00000
     92      -5.8131      1.00000
     93      -5.8015      1.00000
     94      -5.6902      1.00000
     95      -5.4785      1.00000
     96      -5.0500      1.00000
     97      -4.7420      1.00000
     98      -4.4593      1.00000
     99      -4.3727      1.00000
    100      -4.2102      1.00000
    101      -4.1662      1.00000
    102      -4.0195      1.00000
    103      -3.8298      1.00000
    104      -3.5247      1.00000
    105      -3.4564      1.00000
    106      -3.4046      1.00000
    107      -1.9192      0.00000
    108      -1.4347      0.00000
    109      -1.3141      0.00000
    110      -1.0120      0.00000
    111      -0.9753      0.00000
    112      -0.9586      0.00000
    113      -0.9107      0.00000
    114      -0.3120      0.00000
    115       0.0585      0.00000
    116       0.1042      0.00000
    117       0.7586      0.00000
    118       0.8725      0.00000
    119       1.0128      0.00000
    120       1.0789      0.00000
    121       1.2835      0.00000
    122       1.3654      0.00000
    123       1.4268      0.00000
    124       1.4948      0.00000
    125       1.5616      0.00000
    126       1.6746      0.00000
    127       1.7625      0.00000
    128       1.9635      0.00000
    129       1.9836      0.00000
    130       2.1182      0.00000
    131       2.2004      0.00000
    132       2.2596      0.00000
    133       2.3338      0.00000
    134       2.3720      0.00000
    135       2.4210      0.00000
    136       2.5335      0.00000
    137       2.7093      0.00000
    138       2.7378      0.00000
    139       2.7724      0.00000
    140       2.8268      0.00000
    141       2.8805      0.00000
    142       3.0552      0.00000
    143       3.1168      0.00000
    144       3.1228      0.00000
    145       3.1575      0.00000
    146       3.1866      0.00000
    147       3.2414      0.00000
    148       3.4209      0.00000
    149       3.4700      0.00000
    150       3.4940      0.00000
    151       3.5959      0.00000
    152       3.6033      0.00000
    153       3.7874      0.00000
    154       3.8556      0.00000
    155       3.9245      0.00000
    156       4.0265      0.00000
    157       4.1248      0.00000
    158       4.1390      0.00000
    159       4.1991      0.00000
    160       4.2976      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9340      1.00000
      2     -21.7352      1.00000
      3     -21.3773      1.00000
      4     -21.3427      1.00000
      5     -20.6386      1.00000
      6     -20.5982      1.00000
      7     -20.2756      1.00000
      8     -20.2357      1.00000
      9     -20.2263      1.00000
     10     -19.6952      1.00000
     11     -19.1759      1.00000
     12     -19.1427      1.00000
     13     -18.9767      1.00000
     14     -18.9577      1.00000
     15     -18.1165      1.00000
     16     -18.0728      1.00000
     17     -17.6002      1.00000
     18     -17.5707      1.00000
     19     -17.4287      1.00000
     20     -17.3885      1.00000
     21     -17.1117      1.00000
     22     -17.0889      1.00000
     23     -17.0112      1.00000
     24     -16.1400      1.00000
     25     -16.1198      1.00000
     26     -15.6251      1.00000
     27     -15.0952      1.00000
     28     -15.0677      1.00000
     29     -14.7772      1.00000
     30     -14.7530      1.00000
     31     -14.5442      1.00000
     32     -14.5109      1.00000
     33     -13.9602      1.00000
     34     -13.9240      1.00000
     35     -13.1175      1.00000
     36     -13.0720      1.00000
     37     -12.8684      1.00000
     38     -12.8390      1.00000
     39     -12.6454      1.00000
     40     -12.6307      1.00000
     41     -12.3097      1.00000
     42     -12.2770      1.00000
     43     -11.8795      1.00000
     44     -11.3709      1.00000
     45     -11.2069      1.00000
     46     -11.1537      1.00000
     47     -10.9602      1.00000
     48     -10.9507      1.00000
     49     -10.8108      1.00000
     50     -10.3506      1.00000
     51     -10.3339      1.00000
     52     -10.0952      1.00000
     53      -9.9891      1.00000
     54      -9.9846      1.00000
     55      -9.8434      1.00000
     56      -9.7869      1.00000
     57      -9.7818      1.00000
     58      -9.4638      1.00000
     59      -9.4453      1.00000
     60      -9.4006      1.00000
     61      -9.3709      1.00000
     62      -9.3535      1.00000
     63      -9.3234      1.00000
     64      -9.0335      1.00000
     65      -9.0212      1.00000
     66      -8.9880      1.00000
     67      -8.7031      1.00000
     68      -8.6344      1.00000
     69      -8.5450      1.00000
     70      -8.4772      1.00000
     71      -8.2745      1.00000
     72      -8.1905      1.00000
     73      -8.0710      1.00000
     74      -8.0561      1.00000
     75      -8.0120      1.00000
     76      -7.9580      1.00000
     77      -7.9338      1.00000
     78      -7.9275      1.00000
     79      -7.9054      1.00000
     80      -7.4693      1.00000
     81      -7.0715      1.00000
     82      -7.0297      1.00000
     83      -7.0197      1.00000
     84      -6.9193      1.00000
     85      -6.8965      1.00000
     86      -6.6636      1.00000
     87      -6.6552      1.00000
     88      -6.3056      1.00000
     89      -6.2425      1.00000
     90      -5.9760      1.00000
     91      -5.9102      1.00000
     92      -5.7348      1.00000
     93      -5.5219      1.00000
     94      -5.3946      1.00000
     95      -5.2324      1.00000
     96      -5.0661      1.00000
     97      -5.0027      1.00000
     98      -4.9023      1.00000
     99      -4.9010      1.00000
    100      -4.3200      1.00000
    101      -4.1615      1.00000
    102      -4.0617      1.00000
    103      -3.7734      1.00000
    104      -3.5601      1.00000
    105      -3.3587      1.00000
    106      -3.3485      1.00000
    107      -1.9434      0.00000
    108      -1.5321      0.00000
    109      -1.3413      0.00000
    110      -0.8298      0.00000
    111      -0.7069      0.00000
    112      -0.6621      0.00000
    113      -0.3480      0.00000
    114      -0.3129      0.00000
    115      -0.3029      0.00000
    116      -0.2836      0.00000
    117       0.4532      0.00000
    118       0.5384      0.00000
    119       0.8212      0.00000
    120       1.0777      0.00000
    121       1.1342      0.00000
    122       1.4142      0.00000
    123       1.5054      0.00000
    124       1.5553      0.00000
    125       1.6047      0.00000
    126       1.7069      0.00000
    127       1.8669      0.00000
    128       1.8926      0.00000
    129       1.9418      0.00000
    130       2.0504      0.00000
    131       2.0947      0.00000
    132       2.1942      0.00000
    133       2.3527      0.00000
    134       2.5178      0.00000
    135       2.6223      0.00000
    136       2.6547      0.00000
    137       2.7074      0.00000
    138       2.7559      0.00000
    139       2.9000      0.00000
    140       2.9670      0.00000
    141       3.0303      0.00000
    142       3.1971      0.00000
    143       3.2250      0.00000
    144       3.2547      0.00000
    145       3.3735      0.00000
    146       3.4133      0.00000
    147       3.4691      0.00000
    148       3.5387      0.00000
    149       3.6183      0.00000
    150       3.6395      0.00000
    151       3.6800      0.00000
    152       3.7006      0.00000
    153       3.8239      0.00000
    154       3.8950      0.00000
    155       3.9188      0.00000
    156       3.9372      0.00000
    157       3.9901      0.00000
    158       4.0196      0.00000
    159       4.0942      0.00000
    160       4.1017      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9693      1.00000
      2     -21.6106      1.00000
      3     -21.5616      1.00000
      4     -21.0371      1.00000
      5     -21.0135      1.00000
      6     -20.4915      1.00000
      7     -20.4439      1.00000
      8     -20.2842      1.00000
      9     -19.7357      1.00000
     10     -19.7340      1.00000
     11     -19.3789      1.00000
     12     -19.3573      1.00000
     13     -18.6579      1.00000
     14     -18.6542      1.00000
     15     -18.3034      1.00000
     16     -18.2919      1.00000
     17     -18.1250      1.00000
     18     -17.3545      1.00000
     19     -17.2930      1.00000
     20     -17.2804      1.00000
     21     -17.2539      1.00000
     22     -16.7881      1.00000
     23     -16.7736      1.00000
     24     -16.6267      1.00000
     25     -15.6630      1.00000
     26     -15.6082      1.00000
     27     -15.2522      1.00000
     28     -15.2417      1.00000
     29     -14.9740      1.00000
     30     -14.5293      1.00000
     31     -14.4990      1.00000
     32     -14.2524      1.00000
     33     -14.2127      1.00000
     34     -13.8396      1.00000
     35     -13.8327      1.00000
     36     -12.8127      1.00000
     37     -12.7580      1.00000
     38     -12.7175      1.00000
     39     -12.6937      1.00000
     40     -12.3878      1.00000
     41     -12.3793      1.00000
     42     -12.0066      1.00000
     43     -11.9807      1.00000
     44     -11.4430      1.00000
     45     -11.3064      1.00000
     46     -11.2448      1.00000
     47     -11.1249      1.00000
     48     -10.6063      1.00000
     49     -10.5918      1.00000
     50     -10.3037      1.00000
     51     -10.2911      1.00000
     52     -10.1721      1.00000
     53     -10.1708      1.00000
     54     -10.1118      1.00000
     55     -10.0998      1.00000
     56     -10.0219      1.00000
     57      -9.7105      1.00000
     58      -9.5822      1.00000
     59      -9.2841      1.00000
     60      -9.2269      1.00000
     61      -9.1522      1.00000
     62      -9.0832      1.00000
     63      -9.0654      1.00000
     64      -9.0446      1.00000
     65      -8.9990      1.00000
     66      -8.9682      1.00000
     67      -8.8624      1.00000
     68      -8.8288      1.00000
     69      -8.7841      1.00000
     70      -8.5365      1.00000
     71      -8.5299      1.00000
     72      -8.3978      1.00000
     73      -8.2802      1.00000
     74      -8.1261      1.00000
     75      -7.8834      1.00000
     76      -7.8460      1.00000
     77      -7.6010      1.00000
     78      -7.5345      1.00000
     79      -7.5029      1.00000
     80      -7.5001      1.00000
     81      -7.3869      1.00000
     82      -7.3761      1.00000
     83      -7.1326      1.00000
     84      -7.0768      1.00000
     85      -6.6054      1.00000
     86      -6.5820      1.00000
     87      -6.4817      1.00000
     88      -6.3525      1.00000
     89      -6.1145      1.00000
     90      -6.0515      1.00000
     91      -5.9795      1.00000
     92      -5.8993      1.00000
     93      -5.7323      1.00000
     94      -5.3409      1.00000
     95      -5.1662      1.00000
     96      -5.1262      1.00000
     97      -5.0550      1.00000
     98      -4.9027      1.00000
     99      -4.4515      1.00000
    100      -4.3962      1.00000
    101      -4.1597      1.00000
    102      -4.0374      1.00000
    103      -3.9406      1.00000
    104      -3.5532      1.00000
    105      -3.4899      1.00000
    106      -3.0592      1.00000
    107      -2.1236      0.00000
    108      -1.6024      0.00000
    109      -0.9398      0.00000
    110      -0.9075      0.00000
    111      -0.8424      0.00000
    112      -0.6370      0.00000
    113      -0.6279      0.00000
    114      -0.4965      0.00000
    115      -0.4840      0.00000
    116       0.4887      0.00000
    117       0.4923      0.00000
    118       0.5880      0.00000
    119       0.7904      0.00000
    120       1.0275      0.00000
    121       1.0829      0.00000
    122       1.2915      0.00000
    123       1.3023      0.00000
    124       1.4732      0.00000
    125       1.6347      0.00000
    126       1.7158      0.00000
    127       1.8362      0.00000
    128       2.0093      0.00000
    129       2.0582      0.00000
    130       2.0907      0.00000
    131       2.1681      0.00000
    132       2.3029      0.00000
    133       2.3458      0.00000
    134       2.4496      0.00000
    135       2.5459      0.00000
    136       2.7447      0.00000
    137       2.8029      0.00000
    138       2.8411      0.00000
    139       2.8821      0.00000
    140       2.9046      0.00000
    141       3.0516      0.00000
    142       3.0528      0.00000
    143       3.1239      0.00000
    144       3.1676      0.00000
    145       3.2577      0.00000
    146       3.3022      0.00000
    147       3.3695      0.00000
    148       3.4808      0.00000
    149       3.5827      0.00000
    150       3.6000      0.00000
    151       3.6760      0.00000
    152       3.6959      0.00000
    153       3.8029      0.00000
    154       3.8970      0.00000
    155       3.9554      0.00000
    156       3.9766      0.00000
    157       4.0015      0.00000
    158       4.0923      0.00000
    159       4.1674      0.00000
    160       4.1703      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8534      1.00000
      2     -21.7809      1.00000
      3     -21.6182      1.00000
      4     -21.0634      1.00000
      5     -20.7118      1.00000
      6     -20.6702      1.00000
      7     -20.1637      1.00000
      8     -20.1175      1.00000
      9     -19.9631      1.00000
     10     -19.9332      1.00000
     11     -19.6150      1.00000
     12     -19.5573      1.00000
     13     -18.5437      1.00000
     14     -18.4803      1.00000
     15     -18.0276      1.00000
     16     -17.9629      1.00000
     17     -17.8248      1.00000
     18     -17.7959      1.00000
     19     -17.4989      1.00000
     20     -17.4482      1.00000
     21     -16.9317      1.00000
     22     -16.9017      1.00000
     23     -16.8386      1.00000
     24     -16.7982      1.00000
     25     -15.7648      1.00000
     26     -15.5647      1.00000
     27     -15.5293      1.00000
     28     -15.4976      1.00000
     29     -14.9163      1.00000
     30     -14.2371      1.00000
     31     -14.1910      1.00000
     32     -13.9608      1.00000
     33     -13.6357      1.00000
     34     -13.6254      1.00000
     35     -13.4984      1.00000
     36     -13.4726      1.00000
     37     -13.2965      1.00000
     38     -13.2355      1.00000
     39     -13.0281      1.00000
     40     -12.2921      1.00000
     41     -11.9004      1.00000
     42     -11.8023      1.00000
     43     -11.7528      1.00000
     44     -11.6886      1.00000
     45     -11.3973      1.00000
     46     -11.3261      1.00000
     47     -11.1842      1.00000
     48     -10.8052      1.00000
     49     -10.7887      1.00000
     50     -10.4589      1.00000
     51     -10.4033      1.00000
     52     -10.0299      1.00000
     53      -9.8921      1.00000
     54      -9.8745      1.00000
     55      -9.8356      1.00000
     56      -9.6898      1.00000
     57      -9.6841      1.00000
     58      -9.6473      1.00000
     59      -9.4842      1.00000
     60      -9.4667      1.00000
     61      -9.4433      1.00000
     62      -9.4308      1.00000
     63      -9.1296      1.00000
     64      -9.0365      1.00000
     65      -8.7665      1.00000
     66      -8.7415      1.00000
     67      -8.7043      1.00000
     68      -8.6018      1.00000
     69      -8.5433      1.00000
     70      -8.3977      1.00000
     71      -8.3694      1.00000
     72      -8.2535      1.00000
     73      -8.2141      1.00000
     74      -8.1602      1.00000
     75      -8.1329      1.00000
     76      -8.0414      1.00000
     77      -7.9104      1.00000
     78      -7.7672      1.00000
     79      -7.7049      1.00000
     80      -7.5846      1.00000
     81      -7.4407      1.00000
     82      -7.2892      1.00000
     83      -7.2108      1.00000
     84      -6.6981      1.00000
     85      -6.6099      1.00000
     86      -6.5564      1.00000
     87      -6.4522      1.00000
     88      -6.2424      1.00000
     89      -6.1664      1.00000
     90      -6.1018      1.00000
     91      -5.9065      1.00000
     92      -5.6744      1.00000
     93      -5.5122      1.00000
     94      -5.4706      1.00000
     95      -5.2750      1.00000
     96      -5.1178      1.00000
     97      -4.9394      1.00000
     98      -4.9064      1.00000
     99      -4.9015      1.00000
    100      -4.4892      1.00000
    101      -4.1599      1.00000
    102      -4.0473      1.00000
    103      -3.9275      1.00000
    104      -3.5713      1.00000
    105      -3.5152      1.00000
    106      -2.8580      1.00000
    107      -2.2506      0.00000
    108      -1.6805      0.00000
    109      -0.9100      0.00000
    110      -0.8652      0.00000
    111      -0.8609      0.00000
    112      -0.7842      0.00000
    113      -0.1997      0.00000
    114      -0.1668      0.00000
    115      -0.0195      0.00000
    116       0.0022      0.00000
    117       0.2428      0.00000
    118       0.3238      0.00000
    119       0.7701      0.00000
    120       0.8563      0.00000
    121       0.9368      0.00000
    122       1.0577      0.00000
    123       1.2829      0.00000
    124       1.5170      0.00000
    125       1.5895      0.00000
    126       1.6764      0.00000
    127       1.9567      0.00000
    128       2.0214      0.00000
    129       2.0653      0.00000
    130       2.1190      0.00000
    131       2.3029      0.00000
    132       2.3700      0.00000
    133       2.4817      0.00000
    134       2.5801      0.00000
    135       2.6703      0.00000
    136       2.7606      0.00000
    137       2.9321      0.00000
    138       2.9875      0.00000
    139       3.0340      0.00000
    140       3.0539      0.00000
    141       3.1456      0.00000
    142       3.1632      0.00000
    143       3.1812      0.00000
    144       3.2190      0.00000
    145       3.3295      0.00000
    146       3.3928      0.00000
    147       3.4479      0.00000
    148       3.4676      0.00000
    149       3.4957      0.00000
    150       3.5391      0.00000
    151       3.5724      0.00000
    152       3.5994      0.00000
    153       3.6304      0.00000
    154       3.6942      0.00000
    155       3.7851      0.00000
    156       3.8934      0.00000
    157       3.9466      0.00000
    158       4.0427      0.00000
    159       4.1867      0.00000
    160       4.2011      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9688      1.00000
      2     -21.6168      1.00000
      3     -21.5555      1.00000
      4     -21.0460      1.00000
      5     -21.0044      1.00000
      6     -20.4971      1.00000
      7     -20.4380      1.00000
      8     -20.2835      1.00000
      9     -19.7565      1.00000
     10     -19.7158      1.00000
     11     -19.3853      1.00000
     12     -19.3488      1.00000
     13     -18.6790      1.00000
     14     -18.6354      1.00000
     15     -18.3218      1.00000
     16     -18.2758      1.00000
     17     -18.1243      1.00000
     18     -17.3431      1.00000
     19     -17.2991      1.00000
     20     -17.2727      1.00000
     21     -17.2465      1.00000
     22     -16.8134      1.00000
     23     -16.7578      1.00000
     24     -16.6412      1.00000
     25     -15.6884      1.00000
     26     -15.5781      1.00000
     27     -15.2743      1.00000
     28     -15.2347      1.00000
     29     -14.9412      1.00000
     30     -14.5602      1.00000
     31     -14.4927      1.00000
     32     -14.2477      1.00000
     33     -14.2057      1.00000
     34     -13.8361      1.00000
     35     -13.8251      1.00000
     36     -12.8647      1.00000
     37     -12.7597      1.00000
     38     -12.6991      1.00000
     39     -12.6841      1.00000
     40     -12.4095      1.00000
     41     -12.3610      1.00000
     42     -12.0079      1.00000
     43     -11.9844      1.00000
     44     -11.3774      1.00000
     45     -11.2926      1.00000
     46     -11.2337      1.00000
     47     -11.1806      1.00000
     48     -10.6052      1.00000
     49     -10.5901      1.00000
     50     -10.3398      1.00000
     51     -10.2659      1.00000
     52     -10.2130      1.00000
     53     -10.1687      1.00000
     54     -10.1278      1.00000
     55     -10.0738      1.00000
     56     -10.0226      1.00000
     57      -9.7125      1.00000
     58      -9.5771      1.00000
     59      -9.2896      1.00000
     60      -9.2244      1.00000
     61      -9.1305      1.00000
     62      -9.0974      1.00000
     63      -9.0751      1.00000
     64      -9.0448      1.00000
     65      -9.0062      1.00000
     66      -8.9536      1.00000
     67      -8.8422      1.00000
     68      -8.7998      1.00000
     69      -8.7808      1.00000
     70      -8.5427      1.00000
     71      -8.5321      1.00000
     72      -8.4111      1.00000
     73      -8.2700      1.00000
     74      -8.1548      1.00000
     75      -7.8757      1.00000
     76      -7.8465      1.00000
     77      -7.6338      1.00000
     78      -7.5406      1.00000
     79      -7.5034      1.00000
     80      -7.4526      1.00000
     81      -7.3957      1.00000
     82      -7.3601      1.00000
     83      -7.1626      1.00000
     84      -7.0497      1.00000
     85      -6.6273      1.00000
     86      -6.5857      1.00000
     87      -6.4942      1.00000
     88      -6.3063      1.00000
     89      -6.0981      1.00000
     90      -6.0435      1.00000
     91      -5.9816      1.00000
     92      -5.8756      1.00000
     93      -5.7957      1.00000
     94      -5.4812      1.00000
     95      -5.2693      1.00000
     96      -5.0632      1.00000
     97      -4.9041      1.00000
     98      -4.7697      1.00000
     99      -4.5158      1.00000
    100      -4.4350      1.00000
    101      -4.1736      1.00000
    102      -4.0052      1.00000
    103      -3.8639      1.00000
    104      -3.5954      1.00000
    105      -3.5212      1.00000
    106      -3.1682      1.00000
    107      -1.9278      0.00000
    108      -1.6947      0.00000
    109      -0.9866      0.00000
    110      -0.8969      0.00000
    111      -0.8735      0.00000
    112      -0.6338      0.00000
    113      -0.5817      0.00000
    114      -0.4929      0.00000
    115      -0.4668      0.00000
    116       0.3742      0.00000
    117       0.5308      0.00000
    118       0.5759      0.00000
    119       0.8124      0.00000
    120       1.0912      0.00000
    121       1.0984      0.00000
    122       1.2241      0.00000
    123       1.3540      0.00000
    124       1.4681      0.00000
    125       1.5994      0.00000
    126       1.7396      0.00000
    127       1.8336      0.00000
    128       1.9954      0.00000
    129       2.0662      0.00000
    130       2.0938      0.00000
    131       2.1579      0.00000
    132       2.3424      0.00000
    133       2.3572      0.00000
    134       2.4558      0.00000
    135       2.5057      0.00000
    136       2.7505      0.00000
    137       2.8016      0.00000
    138       2.8411      0.00000
    139       2.8764      0.00000
    140       2.9142      0.00000
    141       3.0340      0.00000
    142       3.0479      0.00000
    143       3.1276      0.00000
    144       3.1663      0.00000
    145       3.2637      0.00000
    146       3.3095      0.00000
    147       3.3799      0.00000
    148       3.4802      0.00000
    149       3.5711      0.00000
    150       3.6083      0.00000
    151       3.6808      0.00000
    152       3.6929      0.00000
    153       3.7986      0.00000
    154       3.9033      0.00000
    155       3.9280      0.00000
    156       3.9837      0.00000
    157       4.0008      0.00000
    158       4.1055      0.00000
    159       4.1329      0.00000
    160       4.1623      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0423      1.00000
      2     -21.4847      1.00000
      3     -21.2968      1.00000
      4     -21.2698      1.00000
      5     -20.9316      1.00000
      6     -20.8969      1.00000
      7     -20.7184      1.00000
      8     -19.8279      1.00000
      9     -19.7910      1.00000
     10     -19.2807      1.00000
     11     -19.2527      1.00000
     12     -19.0768      1.00000
     13     -18.7660      1.00000
     14     -18.7241      1.00000
     15     -18.7066      1.00000
     16     -18.6969      1.00000
     17     -18.0338      1.00000
     18     -18.0125      1.00000
     19     -17.6793      1.00000
     20     -16.7378      1.00000
     21     -16.6916      1.00000
     22     -16.6240      1.00000
     23     -16.6065      1.00000
     24     -16.1606      1.00000
     25     -16.1277      1.00000
     26     -15.2788      1.00000
     27     -15.2610      1.00000
     28     -14.9063      1.00000
     29     -14.8980      1.00000
     30     -14.8747      1.00000
     31     -14.7799      1.00000
     32     -14.7354      1.00000
     33     -14.3737      1.00000
     34     -14.3549      1.00000
     35     -13.4085      1.00000
     36     -13.3827      1.00000
     37     -12.9147      1.00000
     38     -12.3493      1.00000
     39     -12.2493      1.00000
     40     -12.1277      1.00000
     41     -12.1146      1.00000
     42     -11.7811      1.00000
     43     -11.7634      1.00000
     44     -11.3904      1.00000
     45     -11.3618      1.00000
     46     -11.2617      1.00000
     47     -10.9009      1.00000
     48     -10.8957      1.00000
     49     -10.6768      1.00000
     50     -10.6744      1.00000
     51     -10.5978      1.00000
     52     -10.5567      1.00000
     53     -10.1995      1.00000
     54      -9.8757      1.00000
     55      -9.8209      1.00000
     56      -9.7608      1.00000
     57      -9.5685      1.00000
     58      -9.3691      1.00000
     59      -9.3569      1.00000
     60      -9.3252      1.00000
     61      -9.2993      1.00000
     62      -9.2349      1.00000
     63      -9.1988      1.00000
     64      -8.9951      1.00000
     65      -8.9705      1.00000
     66      -8.9196      1.00000
     67      -8.9077      1.00000
     68      -8.8005      1.00000
     69      -8.7900      1.00000
     70      -8.7787      1.00000
     71      -8.6123      1.00000
     72      -8.5431      1.00000
     73      -8.2724      1.00000
     74      -8.2641      1.00000
     75      -7.8184      1.00000
     76      -7.7254      1.00000
     77      -7.5752      1.00000
     78      -7.4999      1.00000
     79      -7.4598      1.00000
     80      -7.4211      1.00000
     81      -7.1398      1.00000
     82      -6.9921      1.00000
     83      -6.9691      1.00000
     84      -6.9390      1.00000
     85      -6.8825      1.00000
     86      -6.6801      1.00000
     87      -6.5611      1.00000
     88      -6.4404      1.00000
     89      -6.3909      1.00000
     90      -6.3074      1.00000
     91      -5.8652      1.00000
     92      -5.7928      1.00000
     93      -5.7691      1.00000
     94      -5.6544      1.00000
     95      -5.5966      1.00000
     96      -5.0449      1.00000
     97      -4.6206      1.00000
     98      -4.5251      1.00000
     99      -4.3635      1.00000
    100      -4.2391      1.00000
    101      -4.1836      1.00000
    102      -3.8335      1.00000
    103      -3.8016      1.00000
    104      -3.7317      1.00000
    105      -3.4525      1.00000
    106      -3.4219      1.00000
    107      -1.8110      0.00000
    108      -1.4355      0.00000
    109      -1.3861      0.00000
    110      -1.0268      0.00000
    111      -1.0025      0.00000
    112      -0.9790      0.00000
    113      -0.8555      0.00000
    114      -0.2681      0.00000
    115       0.0424      0.00000
    116       0.0724      0.00000
    117       0.7420      0.00000
    118       0.9082      0.00000
    119       0.9326      0.00000
    120       1.2032      0.00000
    121       1.2652      0.00000
    122       1.3536      0.00000
    123       1.4301      0.00000
    124       1.4720      0.00000
    125       1.5461      0.00000
    126       1.6827      0.00000
    127       1.7606      0.00000
    128       1.9601      0.00000
    129       1.9789      0.00000
    130       2.1652      0.00000
    131       2.1999      0.00000
    132       2.2305      0.00000
    133       2.3315      0.00000
    134       2.3846      0.00000
    135       2.4207      0.00000
    136       2.5375      0.00000
    137       2.7068      0.00000
    138       2.7351      0.00000
    139       2.7813      0.00000
    140       2.8135      0.00000
    141       2.8706      0.00000
    142       3.0444      0.00000
    143       3.1284      0.00000
    144       3.1469      0.00000
    145       3.1649      0.00000
    146       3.2129      0.00000
    147       3.2278      0.00000
    148       3.4194      0.00000
    149       3.4213      0.00000
    150       3.4922      0.00000
    151       3.5997      0.00000
    152       3.6048      0.00000
    153       3.7835      0.00000
    154       3.8531      0.00000
    155       3.9221      0.00000
    156       3.9996      0.00000
    157       4.1316      0.00000
    158       4.1574      0.00000
    159       4.2046      0.00000
    160       4.3210      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8494      1.00000
      2     -21.7868      1.00000
      3     -21.6162      1.00000
      4     -21.0638      1.00000
      5     -20.7023      1.00000
      6     -20.6796      1.00000
      7     -20.1538      1.00000
      8     -20.1280      1.00000
      9     -19.9484      1.00000
     10     -19.9476      1.00000
     11     -19.6083      1.00000
     12     -19.5636      1.00000
     13     -18.5436      1.00000
     14     -18.4871      1.00000
     15     -17.9972      1.00000
     16     -17.9824      1.00000
     17     -17.8152      1.00000
     18     -17.8096      1.00000
     19     -17.4785      1.00000
     20     -17.4637      1.00000
     21     -16.9359      1.00000
     22     -16.9084      1.00000
     23     -16.8228      1.00000
     24     -16.8033      1.00000
     25     -15.7951      1.00000
     26     -15.5338      1.00000
     27     -15.5319      1.00000
     28     -15.5161      1.00000
     29     -14.8930      1.00000
     30     -14.2224      1.00000
     31     -14.2017      1.00000
     32     -13.9385      1.00000
     33     -13.6705      1.00000
     34     -13.6298      1.00000
     35     -13.4978      1.00000
     36     -13.4830      1.00000
     37     -13.2725      1.00000
     38     -13.2447      1.00000
     39     -13.0325      1.00000
     40     -12.3184      1.00000
     41     -11.8412      1.00000
     42     -11.8274      1.00000
     43     -11.7225      1.00000
     44     -11.6872      1.00000
     45     -11.4156      1.00000
     46     -11.3441      1.00000
     47     -11.1756      1.00000
     48     -10.8056      1.00000
     49     -10.7962      1.00000
     50     -10.4575      1.00000
     51     -10.4023      1.00000
     52     -10.0393      1.00000
     53      -9.8800      1.00000
     54      -9.8707      1.00000
     55      -9.8510      1.00000
     56      -9.7026      1.00000
     57      -9.6648      1.00000
     58      -9.6479      1.00000
     59      -9.4956      1.00000
     60      -9.4682      1.00000
     61      -9.4451      1.00000
     62      -9.4341      1.00000
     63      -9.1288      1.00000
     64      -9.0332      1.00000
     65      -8.7673      1.00000
     66      -8.7319      1.00000
     67      -8.6730      1.00000
     68      -8.6312      1.00000
     69      -8.5356      1.00000
     70      -8.3825      1.00000
     71      -8.3742      1.00000
     72      -8.2414      1.00000
     73      -8.2208      1.00000
     74      -8.1343      1.00000
     75      -8.1343      1.00000
     76      -8.0102      1.00000
     77      -7.9747      1.00000
     78      -7.7679      1.00000
     79      -7.7297      1.00000
     80      -7.6260      1.00000
     81      -7.3741      1.00000
     82      -7.2946      1.00000
     83      -7.1856      1.00000
     84      -6.7408      1.00000
     85      -6.6340      1.00000
     86      -6.5635      1.00000
     87      -6.3090      1.00000
     88      -6.2297      1.00000
     89      -6.1673      1.00000
     90      -6.1354      1.00000
     91      -6.0570      1.00000
     92      -5.6749      1.00000
     93      -5.4879      1.00000
     94      -5.4528      1.00000
     95      -5.3000      1.00000
     96      -5.0922      1.00000
     97      -4.9197      1.00000
     98      -4.9108      1.00000
     99      -4.8773      1.00000
    100      -4.4594      1.00000
    101      -4.1497      1.00000
    102      -4.0229      1.00000
    103      -3.9550      1.00000
    104      -3.5842      1.00000
    105      -3.5332      1.00000
    106      -2.9598      1.00000
    107      -2.1052      0.00000
    108      -1.7300      0.00000
    109      -0.8669      0.00000
    110      -0.8643      0.00000
    111      -0.8571      0.00000
    112      -0.8330      0.00000
    113      -0.1880      0.00000
    114      -0.1726      0.00000
    115      -0.0398      0.00000
    116      -0.0166      0.00000
    117       0.2948      0.00000
    118       0.3014      0.00000
    119       0.7486      0.00000
    120       0.8492      0.00000
    121       0.9894      0.00000
    122       1.0300      0.00000
    123       1.2443      0.00000
    124       1.5709      0.00000
    125       1.5768      0.00000
    126       1.6549      0.00000
    127       1.9634      0.00000
    128       2.0249      0.00000
    129       2.0646      0.00000
    130       2.1295      0.00000
    131       2.3014      0.00000
    132       2.3698      0.00000
    133       2.5390      0.00000
    134       2.5546      0.00000
    135       2.6543      0.00000
    136       2.8272      0.00000
    137       2.9253      0.00000
    138       2.9572      0.00000
    139       3.0257      0.00000
    140       3.0543      0.00000
    141       3.1178      0.00000
    142       3.1608      0.00000
    143       3.1962      0.00000
    144       3.2136      0.00000
    145       3.3329      0.00000
    146       3.3847      0.00000
    147       3.4326      0.00000
    148       3.4706      0.00000
    149       3.5040      0.00000
    150       3.5388      0.00000
    151       3.5598      0.00000
    152       3.5766      0.00000
    153       3.6292      0.00000
    154       3.6809      0.00000
    155       3.8020      0.00000
    156       3.9137      0.00000
    157       3.9466      0.00000
    158       4.0423      0.00000
    159       4.1748      0.00000
    160       4.1964      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9328      1.00000
      2     -21.7376      1.00000
      3     -21.3740      1.00000
      4     -21.3446      1.00000
      5     -20.6370      1.00000
      6     -20.6001      1.00000
      7     -20.2670      1.00000
      8     -20.2391      1.00000
      9     -20.2308      1.00000
     10     -19.6949      1.00000
     11     -19.1730      1.00000
     12     -19.1446      1.00000
     13     -18.9778      1.00000
     14     -18.9631      1.00000
     15     -18.1084      1.00000
     16     -18.0735      1.00000
     17     -17.5991      1.00000
     18     -17.5748      1.00000
     19     -17.4245      1.00000
     20     -17.3876      1.00000
     21     -17.1130      1.00000
     22     -17.0910      1.00000
     23     -17.0014      1.00000
     24     -16.1591      1.00000
     25     -16.1230      1.00000
     26     -15.6414      1.00000
     27     -15.0823      1.00000
     28     -15.0637      1.00000
     29     -14.7715      1.00000
     30     -14.7493      1.00000
     31     -14.5123      1.00000
     32     -14.5055      1.00000
     33     -13.9898      1.00000
     34     -13.9222      1.00000
     35     -13.1483      1.00000
     36     -13.0691      1.00000
     37     -12.8577      1.00000
     38     -12.8330      1.00000
     39     -12.6616      1.00000
     40     -12.6397      1.00000
     41     -12.2924      1.00000
     42     -12.2696      1.00000
     43     -11.8841      1.00000
     44     -11.2728      1.00000
     45     -11.2493      1.00000
     46     -11.1797      1.00000
     47     -10.9819      1.00000
     48     -10.9397      1.00000
     49     -10.8103      1.00000
     50     -10.3767      1.00000
     51     -10.3359      1.00000
     52     -10.0937      1.00000
     53      -9.9850      1.00000
     54      -9.9848      1.00000
     55      -9.8561      1.00000
     56      -9.7969      1.00000
     57      -9.7639      1.00000
     58      -9.4811      1.00000
     59      -9.4210      1.00000
     60      -9.3903      1.00000
     61      -9.3763      1.00000
     62      -9.3683      1.00000
     63      -9.3200      1.00000
     64      -9.0367      1.00000
     65      -9.0211      1.00000
     66      -8.9891      1.00000
     67      -8.6547      1.00000
     68      -8.6356      1.00000
     69      -8.5811      1.00000
     70      -8.4580      1.00000
     71      -8.2622      1.00000
     72      -8.1970      1.00000
     73      -8.0974      1.00000
     74      -8.0595      1.00000
     75      -7.9734      1.00000
     76      -7.9680      1.00000
     77      -7.9322      1.00000
     78      -7.9126      1.00000
     79      -7.9017      1.00000
     80      -7.4901      1.00000
     81      -7.2159      1.00000
     82      -7.0256      1.00000
     83      -6.9412      1.00000
     84      -6.8765      1.00000
     85      -6.8233      1.00000
     86      -6.6740      1.00000
     87      -6.6342      1.00000
     88      -6.2878      1.00000
     89      -6.2639      1.00000
     90      -6.1415      1.00000
     91      -5.9477      1.00000
     92      -5.6324      1.00000
     93      -5.5180      1.00000
     94      -5.3932      1.00000
     95      -5.3192      1.00000
     96      -5.0081      1.00000
     97      -4.9735      1.00000
     98      -4.9076      1.00000
     99      -4.8801      1.00000
    100      -4.2450      1.00000
    101      -4.1672      1.00000
    102      -3.9702      1.00000
    103      -3.7943      1.00000
    104      -3.6110      1.00000
    105      -3.5040      1.00000
    106      -3.3595      1.00000
    107      -1.7464      0.00000
    108      -1.5224      0.00000
    109      -1.4827      0.00000
    110      -0.7661      0.00000
    111      -0.7147      0.00000
    112      -0.6999      0.00000
    113      -0.3514      0.00000
    114      -0.3428      0.00000
    115      -0.2947      0.00000
    116      -0.2786      0.00000
    117       0.4671      0.00000
    118       0.5378      0.00000
    119       0.8215      0.00000
    120       1.0682      0.00000
    121       1.1239      0.00000
    122       1.3334      0.00000
    123       1.5332      0.00000
    124       1.5452      0.00000
    125       1.6281      0.00000
    126       1.7244      0.00000
    127       1.8625      0.00000
    128       1.9036      0.00000
    129       1.9450      0.00000
    130       2.0296      0.00000
    131       2.1461      0.00000
    132       2.2680      0.00000
    133       2.3543      0.00000
    134       2.5008      0.00000
    135       2.6230      0.00000
    136       2.6575      0.00000
    137       2.6890      0.00000
    138       2.7589      0.00000
    139       2.8950      0.00000
    140       2.9381      0.00000
    141       3.0305      0.00000
    142       3.1970      0.00000
    143       3.2240      0.00000
    144       3.2530      0.00000
    145       3.3642      0.00000
    146       3.3998      0.00000
    147       3.4691      0.00000
    148       3.5687      0.00000
    149       3.6348      0.00000
    150       3.6369      0.00000
    151       3.6606      0.00000
    152       3.7042      0.00000
    153       3.8252      0.00000
    154       3.8644      0.00000
    155       3.9176      0.00000
    156       3.9188      0.00000
    157       3.9995      0.00000
    158       4.0380      0.00000
    159       4.0864      0.00000
    160       4.0868      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8851   -7.1177    4.1304   -1.3434   -0.2918   17.9349   -0.2857   -0.0281    0.1586   -0.1181
x    -3.2528   -0.0116   -0.0004   -0.0470    0.1022   -3.0478    0.0185   -0.0217    0.0097    0.0027
x    -0.0997    0.0018   -0.0004   -0.0003    0.0005   -0.0235   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8851    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0008    0.0009    0.0036   -0.0997   -0.0414    0.0831    0.0202
y     0.0043   -3.2710   -0.0619    0.2281   -2.3987   -0.6401
z   203.8851    1.5037    0.2846    0.1083    0.0443    0.0805   -0.0027   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0857    0.0043   -0.0014    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4397
z    -0.4206    0.1513    0.0491    0.1381   -0.0842    0.0003
 total charge-density along one line
x   212.0000  -10.0911    6.1814   -2.2002   -0.5432   19.9205   -1.5331    1.0926   -0.6228    0.2967
x    -2.8495    0.0060    0.0200   -0.0537    0.0874   -2.3196    0.0254   -0.0279    0.0131    0.0038
x    -0.0939    0.0073   -0.0047    0.0021   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
x    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
x    -0.0004    0.0000    0.0000    0.0000    0.0001   -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  -10.0911    6.1814   -2.2002   -0.5432   19.9206   -1.5332    1.0926   -0.6228    0.2967
y    -2.8495    0.0060    0.0200   -0.0537    0.0874   -2.3196    0.0254   -0.0279    0.0131    0.0038
y    -0.0939    0.0073   -0.0047    0.0021   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
y    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
y    -0.0004    0.0000    0.0000    0.0000    0.0001   -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 -205.1434  189.0907 -171.5187  155.1528 -138.8711  122.8243 -108.2102   94.3346  -79.5370
z    64.1558  -50.3287   39.4062  -31.0618   24.4966  -19.2611   15.0130  -11.4038    8.3552   -5.9890
z     4.2471   -2.8859    1.7962   -1.0374    0.5723   -0.2212   -0.1037    0.3230   -0.3881    0.3908
z    -0.4247    0.4632   -0.4412    0.3706   -0.3099    0.2765   -0.2462    0.2081   -0.1731    0.1455
z    -0.1198    0.0962   -0.0795    0.0674   -0.0548    0.0433   -0.0367    0.0331   -0.0276    0.0212
z    -0.0175    0.0163   -0.0143    0.0109   -0.0082    0.0069   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0002
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.737   0.000  -0.014   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.014   0.000 -11.051   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.975   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.737   0.000  -0.014   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.014   0.000 -11.051   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.975   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.040   0.000  -0.002   0.091   0.000  -0.024   0.000  -0.007   0.065  -0.014   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.091   0.000   0.000   0.237   0.000  -0.070   0.000   0.000   0.000   0.015   0.000   0.019   0.023
  0.040   0.000   1.720   0.000  -0.020  -0.013   0.000   0.404   0.000   0.006  -0.313   0.024   0.000  -0.025   0.000   0.000
  0.000   0.091   0.000   1.776   0.000   0.000  -0.070   0.000   0.314   0.000   0.000   0.000   0.019   0.000  -0.003  -0.001
 -0.002   0.000  -0.020   0.000   1.950  -0.008   0.000   0.012   0.000   0.080  -0.057   0.006   0.000  -0.007   0.000   0.000
  0.091   0.000  -0.013   0.000  -0.008   0.031   0.000  -0.037   0.000   0.005  -0.066   0.027   0.000   0.026   0.000   0.000
  0.000   0.237   0.000  -0.070   0.000   0.000   0.147   0.000  -0.077   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.404   0.000   0.012  -0.037   0.000   0.672   0.000   0.022   0.517  -0.355   0.000  -0.103   0.000   0.000
  0.000  -0.070   0.000   0.314   0.000   0.000  -0.077   0.000   0.237   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.007   0.000   0.006   0.000   0.080   0.005   0.000   0.022   0.000   0.037   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.065   0.000  -0.313   0.000  -0.057  -0.066   0.000   0.517   0.000   0.043   0.873  -0.391   0.000  -0.153   0.000   0.000
 -0.014   0.000   0.024   0.000   0.006   0.027   0.000  -0.355   0.000  -0.016  -0.391   0.272   0.000   0.080   0.000   0.000
  0.000   0.015   0.000   0.019   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.025   0.000  -0.007   0.026   0.000  -0.103   0.000  -0.015  -0.153   0.080   0.000   0.171   0.000   0.000
  0.000   0.019   0.000  -0.003   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.029   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.024   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.428   0.164   8.206   8.798
  2        0.629   0.031   0.000   0.660
  3        0.545   0.027   0.000   0.572
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.645
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.786   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.636
 17        0.850   1.758   0.000   2.608
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.647
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.772   0.000   2.636
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.786   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.645
------------------------------------------------
tot       44.743  89.257   8.206 142.206
 


 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  116.07: CPU time   58.66
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  439.49: CPU time  220.38
    STRESS:  VPU time 1333.94: CPU time  671.27
    FORCOR:  VPU time    8.66: CPU time    8.66
    FORHAR:  VPU time    2.28: CPU time    2.27
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force = 0.6924210E-05[-0.542E-04, 0.680E-04]  d Energy = 0.1593782E-03-0.152E-03
 d Force =-0.6039751E+00[-0.604E+00,-0.604E+00]  d Ewald  =-0.1200274E+01 0.596E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.339125 eV

  energy  without entropy=     -470.339125  energy(sigma->0) =     -470.339125
 

  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    40608.19  40581.34 -47253.32    -23.25      0.00      0.00
  Hartree  40134.05  40121.45 -39363.27    -10.91      0.00      0.00
  E(xc)     -779.87   -779.98   -806.99     -0.09      0.00      0.00
  Local   -83030.66 -82994.98  83945.04     30.90      0.00      0.00
  n-local   -223.85   -221.85   -215.70      0.96      0.00      0.00
  augment     21.43     21.93     18.85      0.43      0.00      0.00
  Kinetic   3172.49   3181.83   3581.12     -0.03      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.44     -0.17     -0.33      0.23      0.00      0.00
  in kB       -0.27     -0.10     -0.20      0.14      0.00      0.00
  external pressure =       -0.19 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.352138132  0.000707546  0.000000000     0.080954967  0.046733257  0.000000000
    -6.175462958 10.697615099  0.000000000    -0.000005354  0.093475688  0.000000000
     0.000000000  0.000000000 19.963721342     0.000000000  0.000000000  0.050090861

  length of vectors
    12.352138152 12.352137934 19.963721342     0.093475687  0.093475688  0.050090861


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.721E-05 -.445E-04 -.104E+04   0.578E-05 -.294E-04 0.104E+04   -.411E-21 -.529E-21 0.324E+01   0.145E-07 -.755E-09 0.996E-03
   -.249E-06 -.791E-05 -.108E+03   -.713E-07 -.948E-06 0.104E+03   0.300E-23 0.132E-22 0.348E+01   0.756E-09 -.549E-09 -.189E-03
   -.155E-06 -.661E-05 -.114E+03   -.711E-07 -.597E-06 0.118E+03   -.790E-22 0.106E-21 -.460E+01   0.136E-08 -.753E-09 -.245E-03
   -.184E+01 0.106E+01 0.219E+02   0.185E+01 -.107E+01 -.219E+02   -.124E-02 0.715E-03 0.194E-01   -.578E-02 0.334E-02 -.144E-02
   0.560E+01 0.668E+01 0.247E+02   -.559E+01 -.671E+01 -.247E+02   -.200E-02 0.178E-01 -.259E-02   -.756E-02 0.517E-02 -.102E-02
   0.109E+02 0.540E+01 0.207E+02   -.109E+02 -.541E+01 -.207E+02   0.401E-02 0.180E-01 -.521E-01   -.485E-02 0.630E-04 -.319E-03
   0.438E+01 -.120E+01 0.189E+02   -.440E+01 0.122E+01 -.189E+02   0.161E-01 -.194E-01 0.280E-01   -.443E-02 0.333E-02 -.632E-03
   -.270E+01 -.253E+01 0.176E+02   0.272E+01 0.253E+01 -.176E+02   -.963E-02 -.133E-01 0.249E-01   -.577E-02 0.445E-02 -.173E-02
   0.836E+00 0.360E+01 0.176E+02   -.835E+00 -.362E+01 -.176E+02   0.668E-02 0.150E-01 0.249E-01   -.675E-02 0.277E-02 -.174E-02
   0.301E+01 0.180E+02 0.284E+02   -.301E+01 -.180E+02 -.285E+02   0.121E-01 0.519E-01 0.326E-01   -.705E-02 0.129E-03 -.387E-04
   0.209E+02 0.235E+02 0.400E+02   -.209E+02 -.237E+02 -.399E+02   0.441E-01 0.188E+00 -.103E+00   -.258E-02 0.365E-02 0.380E-02
   0.269E+02 -.515E+01 0.256E+02   -.271E+02 0.524E+01 -.256E+02   0.206E+00 -.107E+00 0.597E-01   -.608E-02 0.479E-02 0.185E-03
   0.933E+01 -.539E+01 0.164E+02   -.931E+01 0.537E+01 -.164E+02   -.786E-02 0.454E-02 0.386E-01   -.933E-02 0.538E-02 -.255E-02
   0.323E+01 -.319E+01 0.189E+02   -.325E+01 0.320E+01 -.189E+02   0.249E-01 -.427E-02 0.280E-01   -.510E-02 0.217E-02 -.643E-03
   -.593E+01 0.130E+02 0.220E+02   0.592E+01 -.130E+02 -.220E+02   0.103E-01 0.540E-01 0.283E-01   -.467E-02 0.266E-02 0.452E-03
   -.126E+02 0.346E+02 0.386E+02   0.125E+02 -.351E+02 -.391E+02   0.199E-01 0.499E+00 0.532E+00   -.103E-01 0.575E-02 0.240E-02
   0.335E+02 -.193E+02 0.478E+02   -.347E+02 0.201E+02 -.504E+02   0.123E+01 -.708E+00 0.262E+01   -.932E-03 0.535E-03 -.718E-02
   0.179E+02 -.207E+02 0.256E+02   -.181E+02 0.208E+02 -.256E+02   0.195E+00 -.125E+00 0.597E-01   -.720E-02 0.287E-02 0.179E-03
   0.767E+00 -.121E+02 0.207E+02   -.755E+00 0.121E+02 -.207E+02   -.136E-01 -.125E-01 -.521E-01   -.248E-02 0.417E-02 -.326E-03
   -.385E+01 0.134E+01 0.160E+02   0.387E+01 -.136E+01 -.160E+02   -.943E-02 0.448E-02 -.396E-01   -.354E-02 0.475E-02 -.169E-02
   -.177E+02 0.102E+02 0.190E+02   0.178E+02 -.103E+02 -.188E+02   -.313E-01 0.181E-01 -.155E+00   -.753E-02 0.435E-02 -.221E-02
   -.363E+02 -.644E+01 0.386E+02   0.367E+02 0.669E+01 -.391E+02   -.422E+00 -.267E+00 0.532E+00   -.101E-01 0.603E-02 0.240E-02
   -.991E+01 -.298E+02 0.400E+02   0.101E+02 0.300E+02 -.399E+02   -.141E+00 -.132E+00 -.103E+00   -.445E-02 0.403E-03 0.380E-02
   -.299E+01 -.819E+01 0.247E+02   0.302E+01 0.819E+01 -.247E+02   -.164E-01 -.717E-02 -.259E-02   -.826E-02 0.396E-02 -.102E-02
   0.988E+00 -.570E+00 0.178E+02   -.977E+00 0.564E+00 -.178E+02   -.365E-02 0.211E-02 -.306E-01   -.538E-02 0.311E-02 -.197E-02
   -.309E+01 0.267E+01 0.160E+02   0.311E+01 -.267E+01 -.160E+02   -.859E-02 0.593E-02 -.396E-01   -.589E-02 0.697E-03 -.168E-02
   -.142E+02 -.135E+01 0.220E+02   0.142E+02 0.138E+01 -.220E+02   -.416E-01 -.359E-01 0.283E-01   -.464E-02 0.271E-02 0.461E-03
   -.141E+02 -.116E+02 0.284E+02   0.141E+02 0.116E+02 -.285E+02   -.389E-01 -.364E-01 0.326E-01   -.363E-02 0.604E-02 -.351E-04
   0.299E+01 0.819E+01 0.247E+02   -.302E+01 -.819E+01 -.247E+02   0.164E-01 0.717E-02 -.259E-02   0.826E-02 -.396E-02 -.102E-02
   0.141E+02 0.116E+02 0.284E+02   -.141E+02 -.116E+02 -.285E+02   0.389E-01 0.364E-01 0.326E-01   0.363E-02 -.604E-02 -.351E-04
   0.142E+02 0.135E+01 0.220E+02   -.142E+02 -.138E+01 -.220E+02   0.416E-01 0.359E-01 0.283E-01   0.464E-02 -.271E-02 0.461E-03
   0.309E+01 -.267E+01 0.160E+02   -.311E+01 0.267E+01 -.160E+02   0.859E-02 -.593E-02 -.396E-01   0.589E-02 -.697E-03 -.168E-02
   -.988E+00 0.570E+00 0.178E+02   0.977E+00 -.564E+00 -.178E+02   0.365E-02 -.211E-02 -.306E-01   0.538E-02 -.311E-02 -.197E-02
   -.767E+00 0.121E+02 0.207E+02   0.755E+00 -.121E+02 -.207E+02   0.136E-01 0.125E-01 -.521E-01   0.248E-02 -.417E-02 -.326E-03
   0.991E+01 0.298E+02 0.400E+02   -.101E+02 -.300E+02 -.399E+02   0.141E+00 0.132E+00 -.103E+00   0.445E-02 -.403E-03 0.380E-02
   0.363E+02 0.644E+01 0.386E+02   -.367E+02 -.669E+01 -.391E+02   0.422E+00 0.267E+00 0.532E+00   0.101E-01 -.603E-02 0.240E-02
   0.177E+02 -.102E+02 0.190E+02   -.178E+02 0.103E+02 -.188E+02   0.313E-01 -.181E-01 -.155E+00   0.753E-02 -.435E-02 -.221E-02
   0.385E+01 -.134E+01 0.160E+02   -.387E+01 0.136E+01 -.160E+02   0.943E-02 -.448E-02 -.396E-01   0.354E-02 -.475E-02 -.169E-02
   -.323E+01 0.319E+01 0.189E+02   0.325E+01 -.320E+01 -.189E+02   -.249E-01 0.427E-02 0.280E-01   0.510E-02 -.217E-02 -.643E-03
   -.179E+02 0.207E+02 0.256E+02   0.181E+02 -.208E+02 -.256E+02   -.195E+00 0.125E+00 0.597E-01   0.720E-02 -.287E-02 0.179E-03
   -.335E+02 0.193E+02 0.478E+02   0.347E+02 -.201E+02 -.504E+02   -.123E+01 0.708E+00 0.262E+01   0.932E-03 -.535E-03 -.718E-02
   0.126E+02 -.346E+02 0.386E+02   -.125E+02 0.351E+02 -.391E+02   -.199E-01 -.499E+00 0.532E+00   0.103E-01 -.575E-02 0.240E-02
   0.593E+01 -.130E+02 0.220E+02   -.592E+01 0.130E+02 -.220E+02   -.103E-01 -.540E-01 0.283E-01   0.467E-02 -.266E-02 0.452E-03
   -.836E+00 -.360E+01 0.176E+02   0.835E+00 0.362E+01 -.176E+02   -.668E-02 -.150E-01 0.249E-01   0.675E-02 -.277E-02 -.174E-02
   -.933E+01 0.539E+01 0.164E+02   0.931E+01 -.537E+01 -.164E+02   0.786E-02 -.454E-02 0.386E-01   0.933E-02 -.538E-02 -.255E-02
   -.269E+02 0.515E+01 0.256E+02   0.271E+02 -.524E+01 -.256E+02   -.206E+00 0.107E+00 0.597E-01   0.608E-02 -.479E-02 0.185E-03
   -.209E+02 -.235E+02 0.400E+02   0.209E+02 0.237E+02 -.399E+02   -.441E-01 -.188E+00 -.103E+00   0.258E-02 -.365E-02 0.380E-02
   -.301E+01 -.180E+02 0.284E+02   0.301E+01 0.180E+02 -.285E+02   -.121E-01 -.519E-01 0.326E-01   0.705E-02 -.129E-03 -.387E-04
   0.184E+01 -.106E+01 0.219E+02   -.185E+01 0.107E+01 -.219E+02   0.124E-02 -.715E-03 0.194E-01   0.578E-02 -.334E-02 -.144E-02
   0.270E+01 0.253E+01 0.176E+02   -.272E+01 -.253E+01 -.176E+02   0.963E-02 0.133E-01 0.249E-01   0.577E-02 -.445E-02 -.173E-02
   -.438E+01 0.120E+01 0.189E+02   0.440E+01 -.122E+01 -.189E+02   -.161E-01 0.194E-01 0.280E-01   0.443E-02 -.333E-02 -.632E-03
   -.109E+02 -.540E+01 0.207E+02   0.109E+02 0.541E+01 -.207E+02   -.401E-02 -.180E-01 -.521E-01   0.485E-02 -.630E-04 -.319E-03
   -.560E+01 -.668E+01 0.247E+02   0.559E+01 0.671E+01 -.247E+02   0.200E-02 -.178E-01 -.259E-02   0.756E-02 -.517E-02 -.102E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.295E-03 -.910E+01   -.355E-14 0.103E-12 0.593E-12   0.513E-15 -.520E-16 0.914E+01   0.598E-07 -.105E-07 -.245E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85316      6.06229     12.23080         0.000000      0.000000      0.024512
      1.85316      6.06229     14.01228         0.000000      0.000000     -0.006933
      1.85316      6.06229     14.78232         0.000000      0.000000     -0.009974
      0.00063     -0.00036      9.91675         0.004257     -0.002458     -0.002654
     11.11638      2.13925      9.92035         0.004166     -0.007617     -0.003497
      9.87971      4.27925      9.94497        -0.002044      0.003428     -0.000412
      8.64581      6.41924      9.94489        -0.002133      0.003250     -0.001110
     -4.93816      8.55819      9.93561        -0.000168     -0.001072     -0.003497
     -3.70402     10.69579      9.93561         0.000844      0.000682     -0.003497
      1.23528      2.13721      9.94362         0.003314      0.005423     -0.002463
     -0.00510      4.27715      9.99736        -0.002523     -0.007528      0.004332
     -1.24149      6.41690     10.00666         0.005669     -0.004554      0.006079
     -2.46800      8.55711      9.95973         0.005763     -0.003327     -0.004246
      4.94036      0.00121      9.94489        -0.003881      0.000223     -0.001110
      3.70636      2.13503      9.95882        -0.002881      0.004437      0.002605
      2.47298      4.25664     10.07631         0.005880     -0.000573      0.011956
      1.21985      6.42793     10.22513         0.006040     -0.003487     -0.010014
     -0.00127      8.56503     10.00666         0.006779     -0.002633      0.006079
      7.41060      0.00262      9.94497        -0.003990      0.000056     -0.000412
      6.17563      2.14001      9.94657        -0.000408     -0.004750     -0.002318
      4.94283      4.27847      9.99713         0.005865     -0.003386     -0.005589
      3.72682      6.42834     10.07631         0.003436     -0.004805      0.011956
      2.47001      8.56417      9.99736         0.005258      0.005949      0.004332
      9.88223      0.00164      9.92035         0.008680      0.000201     -0.003497
      8.64563      2.14066      9.92769         0.002076     -0.001198     -0.004650
      7.41119      4.28007      9.94657         0.003910      0.002728     -0.002318
      6.18087      6.42100      9.95882        -0.005283      0.000277      0.002605
      4.94344      8.55993      9.94362        -0.003039     -0.005582     -0.002463
     -0.00044      1.42533      9.92035        -0.008680     -0.000201     -0.003497
     -1.23711      3.56464      9.94362         0.003039      0.005582     -0.002463
     -2.47454      5.70358      9.95882         0.005283     -0.000277      0.002605
     -3.70486      7.84451      9.94657        -0.003910     -0.002728     -0.002318
     -4.93930      9.98392      9.92769        -0.002076      0.001198     -0.004650
      2.47120      1.42434      9.94497         0.003990     -0.000056     -0.000412
      1.23632      3.56041      9.99736        -0.005258     -0.005949      0.004332
     -0.02049      5.69624     10.07631        -0.003436      0.004805      0.011956
     -1.23650      7.84610      9.99713        -0.005865      0.003386     -0.005589
     -2.46930      9.98457      9.94657         0.000408      0.004750     -0.002318
      4.94143      1.42575      9.94489         0.003881     -0.000223     -0.001110
      3.70760      3.55955     10.00666        -0.006779      0.002633      0.006079
      2.48648      5.69664     10.22513        -0.006040      0.003487     -0.010014
      1.23334      7.86794     10.07631        -0.005880      0.000573      0.011956
     -0.00004      9.98954      9.95882         0.002881     -0.004437      0.002605
      7.41034      1.42879      9.93561        -0.000844     -0.000682     -0.003497
      6.17433      3.56746      9.95973        -0.005763      0.003327     -0.004246
      4.94782      5.70768     10.00666        -0.005669      0.004554      0.006079
      3.71143      7.84743      9.99736         0.002523      0.007528      0.004332
      2.47105      9.98737      9.94362        -0.003314     -0.005423     -0.002463
      9.88116      1.42733      9.91675        -0.004257      0.002458     -0.002654
      8.64449      3.56638      9.93561         0.000168      0.001072     -0.003497
      7.41265      5.70605      9.94489         0.002133     -0.003250     -0.001110
      6.17876      7.84604      9.94497         0.002044     -0.003428     -0.000412
      4.94209      9.98604      9.92035        -0.004166      0.007617     -0.003497
 -----------------------------------------------------------------------------------
    total drift:                               -0.001809      0.000295      0.011003


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




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


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.34
    ORTHCH:  VPU time  183.49: CPU time   91.91
     LOOP+:  VPU time 5578.44: CPU time 2869.19


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


    POTLOK:  VPU time    9.18: CPU time    9.09
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1424.67: CPU time  730.57
 BZINTS: Fermi energy: -2.845223;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.81: CPU time   45.30
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1524.19: CPU time  785.45

 eigenvalue-minimisations  :  5224
 total energy-change (2. order) :-0.4703391E+03  (-0.3116402E-04)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1149015 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.99742E-03    rms(broyden)= 0.99722E-03
  rms(prec ) = 0.10768E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33936.46358901
  -1/2 Hartree   DENC   =    -40892.37201991
  -V(xc)+E(xc)   XCENC  =       726.68344512
  PAW double counting   =      4080.34665951    -4117.00605255
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.89459146
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33911668 eV

  energy without entropy =     -470.33911668  energy(sigma->0) =     -470.33911668


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




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


    POTLOK:  VPU time    7.75: CPU time    7.75
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1097.05: CPU time  559.98
 BZINTS: Fermi energy: -2.844800;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1105.14: CPU time  568.05

 eigenvalue-minimisations  :  3984
 total energy-change (2. order) : 0.1107379E-05  (-0.1544028E-05)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1149015 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33936.46358901
  -1/2 Hartree   DENC   =    -40892.37920845
  -V(xc)+E(xc)   XCENC  =       726.68347703
  PAW double counting   =      4080.34030707    -4117.00035863
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.88677521
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33911558 eV

  energy without entropy =     -470.33911558  energy(sigma->0) =     -470.33911558


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




 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 -57.8102       2 -41.9916       3 -42.1052       4 -57.9939       5 -57.9903
       6 -57.9917       7 -57.9913       8 -57.9919       9 -57.9919      10 -57.9979
      11 -58.0263      12 -58.0082      13 -58.0008      14 -57.9913      15 -57.9982
      16 -58.1525      17 -58.5620      18 -58.0082      19 -57.9917      20 -57.9935
      21 -58.0087      22 -58.1526      23 -58.0263      24 -57.9903      25 -57.9863
      26 -57.9935      27 -57.9982      28 -57.9979      29 -57.9902      30 -57.9978
      31 -57.9981      32 -57.9934      33 -57.9862      34 -57.9916      35 -58.0262
      36 -58.1525      37 -58.0086      38 -57.9934      39 -57.9912      40 -58.0081
      41 -58.5619      42 -58.1525      43 -57.9981      44 -57.9918      45 -58.0007
      46 -58.0081      47 -58.0262      48 -57.9978      49 -57.9938      50 -57.9918
      51 -57.9912      52 -57.9917      53 -57.9903
 
 
 
 E-fermi :  -2.8448     XC(G=0):  -2.3544     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     -22.0793      1.00000
      2     -21.2450      1.00000
      3     -21.1353      1.00000
      4     -21.1239      1.00000
      5     -21.1166      1.00000
      6     -21.0997      1.00000
      7     -21.0978      1.00000
      8     -19.3813      1.00000
      9     -19.3018      1.00000
     10     -19.2948      1.00000
     11     -19.2891      1.00000
     12     -19.2693      1.00000
     13     -19.2662      1.00000
     14     -18.4725      1.00000
     15     -18.4121      1.00000
     16     -18.4068      1.00000
     17     -18.3823      1.00000
     18     -18.3763      1.00000
     19     -18.3691      1.00000
     20     -16.3387      1.00000
     21     -16.2572      1.00000
     22     -16.2558      1.00000
     23     -16.2447      1.00000
     24     -16.2281      1.00000
     25     -16.2275      1.00000
     26     -15.3090      1.00000
     27     -15.2653      1.00000
     28     -15.2399      1.00000
     29     -15.2318      1.00000
     30     -15.2257      1.00000
     31     -15.2165      1.00000
     32     -13.9631      1.00000
     33     -13.9251      1.00000
     34     -13.9019      1.00000
     35     -13.8960      1.00000
     36     -13.8892      1.00000
     37     -13.8763      1.00000
     38     -11.7469      1.00000
     39     -11.5648      1.00000
     40     -11.5307      1.00000
     41     -11.5252      1.00000
     42     -11.5217      1.00000
     43     -11.5202      1.00000
     44     -11.4380      1.00000
     45     -11.4340      1.00000
     46     -11.4110      1.00000
     47     -11.3911      1.00000
     48     -11.3899      1.00000
     49     -11.3891      1.00000
     50     -11.1341      1.00000
     51     -10.2576      1.00000
     52     -10.0698      1.00000
     53     -10.0616      1.00000
     54     -10.0406      1.00000
     55     -10.0402      1.00000
     56     -10.0224      1.00000
     57      -9.9990      1.00000
     58      -9.4115      1.00000
     59      -9.1385      1.00000
     60      -9.0965      1.00000
     61      -9.0545      1.00000
     62      -9.0386      1.00000
     63      -9.0349      1.00000
     64      -8.8481      1.00000
     65      -8.7841      1.00000
     66      -8.7830      1.00000
     67      -8.7698      1.00000
     68      -8.7574      1.00000
     69      -8.7376      1.00000
     70      -8.7350      1.00000
     71      -8.7313      1.00000
     72      -8.7312      1.00000
     73      -8.7103      1.00000
     74      -8.6927      1.00000
     75      -8.6901      1.00000
     76      -7.3976      1.00000
     77      -7.2357      1.00000
     78      -7.1829      1.00000
     79      -7.1545      1.00000
     80      -7.1061      1.00000
     81      -7.1049      1.00000
     82      -7.0834      1.00000
     83      -7.0800      1.00000
     84      -6.9406      1.00000
     85      -6.9290      1.00000
     86      -6.9233      1.00000
     87      -6.9152      1.00000
     88      -6.3293      1.00000
     89      -6.2900      1.00000
     90      -6.0990      1.00000
     91      -6.0698      1.00000
     92      -6.0309      1.00000
     93      -6.0301      1.00000
     94      -5.6494      1.00000
     95      -5.6146      1.00000
     96      -4.9868      1.00000
     97      -4.6198      1.00000
     98      -4.2676      1.00000
     99      -4.2539      1.00000
    100      -4.0688      1.00000
    101      -4.0650      1.00000
    102      -4.0186      1.00000
    103      -3.8781      1.00000
    104      -3.5683      1.00000
    105      -3.4673      1.00000
    106      -3.4299      1.00000
    107      -1.8995      0.00000
    108      -1.2884      0.00000
    109      -1.2648      0.00000
    110      -1.2609      0.00000
    111      -1.2528      0.00000
    112      -1.2161      0.00000
    113      -1.0455      0.00000
    114       0.3622      0.00000
    115       0.4570      0.00000
    116       0.5336      0.00000
    117       0.5720      0.00000
    118       0.5865      0.00000
    119       0.5870      0.00000
    120       0.7581      0.00000
    121       1.2502      0.00000
    122       1.3225      0.00000
    123       1.3313      0.00000
    124       1.6590      0.00000
    125       1.9291      0.00000
    126       1.9338      0.00000
    127       1.9500      0.00000
    128       2.0212      0.00000
    129       2.1718      0.00000
    130       2.2906      0.00000
    131       2.2936      0.00000
    132       2.2949      0.00000
    133       2.2991      0.00000
    134       2.3045      0.00000
    135       2.3418      0.00000
    136       2.4069      0.00000
    137       2.5201      0.00000
    138       2.6618      0.00000
    139       2.6674      0.00000
    140       2.7130      0.00000
    141       2.7609      0.00000
    142       2.8495      0.00000
    143       2.8650      0.00000
    144       3.0025      0.00000
    145       3.0056      0.00000
    146       3.0165      0.00000
    147       3.0296      0.00000
    148       3.2796      0.00000
    149       3.4713      0.00000
    150       3.5968      0.00000
    151       3.7529      0.00000
    152       3.7624      0.00000
    153       3.9138      0.00000
    154       3.9270      0.00000
    155       3.9458      0.00000
    156       3.9803      0.00000
    157       4.1772      0.00000
    158       4.1796      0.00000
    159       4.3216      0.00000
    160       4.3281      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0423      1.00000
      2     -21.4828      1.00000
      3     -21.3008      1.00000
      4     -21.2679      1.00000
      5     -20.9318      1.00000
      6     -20.8943      1.00000
      7     -20.7201      1.00000
      8     -19.8292      1.00000
      9     -19.7893      1.00000
     10     -19.2796      1.00000
     11     -19.2495      1.00000
     12     -19.0822      1.00000
     13     -18.7587      1.00000
     14     -18.7218      1.00000
     15     -18.7113      1.00000
     16     -18.6987      1.00000
     17     -18.0335      1.00000
     18     -18.0086      1.00000
     19     -17.6867      1.00000
     20     -16.7479      1.00000
     21     -16.6924      1.00000
     22     -16.6195      1.00000
     23     -16.6035      1.00000
     24     -16.1443      1.00000
     25     -16.1231      1.00000
     26     -15.2938      1.00000
     27     -15.2653      1.00000
     28     -14.9405      1.00000
     29     -14.9013      1.00000
     30     -14.8435      1.00000
     31     -14.7636      1.00000
     32     -14.7360      1.00000
     33     -14.3749      1.00000
     34     -14.3576      1.00000
     35     -13.4121      1.00000
     36     -13.3873      1.00000
     37     -12.9092      1.00000
     38     -12.3074      1.00000
     39     -12.2529      1.00000
     40     -12.1275      1.00000
     41     -12.1088      1.00000
     42     -11.8262      1.00000
     43     -11.7749      1.00000
     44     -11.4408      1.00000
     45     -11.3495      1.00000
     46     -11.2023      1.00000
     47     -10.9018      1.00000
     48     -10.8905      1.00000
     49     -10.6875      1.00000
     50     -10.6730      1.00000
     51     -10.5940      1.00000
     52     -10.5692      1.00000
     53     -10.1912      1.00000
     54      -9.8291      1.00000
     55      -9.8189      1.00000
     56      -9.7735      1.00000
     57      -9.5762      1.00000
     58      -9.4007      1.00000
     59      -9.3723      1.00000
     60      -9.3101      1.00000
     61      -9.2836      1.00000
     62      -9.2484      1.00000
     63      -9.2037      1.00000
     64      -8.9861      1.00000
     65      -8.9754      1.00000
     66      -8.9267      1.00000
     67      -8.8823      1.00000
     68      -8.8181      1.00000
     69      -8.7833      1.00000
     70      -8.7736      1.00000
     71      -8.6106      1.00000
     72      -8.5447      1.00000
     73      -8.2971      1.00000
     74      -8.2685      1.00000
     75      -7.7842      1.00000
     76      -7.7211      1.00000
     77      -7.5665      1.00000
     78      -7.5349      1.00000
     79      -7.4340      1.00000
     80      -7.4300      1.00000
     81      -7.0735      1.00000
     82      -7.0479      1.00000
     83      -7.0208      1.00000
     84      -6.9835      1.00000
     85      -6.7929      1.00000
     86      -6.6962      1.00000
     87      -6.5529      1.00000
     88      -6.4656      1.00000
     89      -6.3665      1.00000
     90      -6.3052      1.00000
     91      -5.8412      1.00000
     92      -5.8126      1.00000
     93      -5.8021      1.00000
     94      -5.6898      1.00000
     95      -5.4785      1.00000
     96      -5.0499      1.00000
     97      -4.7420      1.00000
     98      -4.4592      1.00000
     99      -4.3726      1.00000
    100      -4.2103      1.00000
    101      -4.1663      1.00000
    102      -4.0194      1.00000
    103      -3.8294      1.00000
    104      -3.5251      1.00000
    105      -3.4564      1.00000
    106      -3.4047      1.00000
    107      -1.9192      0.00000
    108      -1.4346      0.00000
    109      -1.3138      0.00000
    110      -1.0121      0.00000
    111      -0.9751      0.00000
    112      -0.9586      0.00000
    113      -0.9103      0.00000
    114      -0.3122      0.00000
    115       0.0584      0.00000
    116       0.1050      0.00000
    117       0.7588      0.00000
    118       0.8724      0.00000
    119       1.0133      0.00000
    120       1.0790      0.00000
    121       1.2835      0.00000
    122       1.3664      0.00000
    123       1.4272      0.00000
    124       1.4950      0.00000
    125       1.5618      0.00000
    126       1.6763      0.00000
    127       1.7653      0.00000
    128       1.9638      0.00000
    129       1.9837      0.00000
    130       2.1189      0.00000
    131       2.2008      0.00000
    132       2.2616      0.00000
    133       2.3343      0.00000
    134       2.3723      0.00000
    135       2.4224      0.00000
    136       2.5391      0.00000
    137       2.7153      0.00000
    138       2.7438      0.00000
    139       2.7725      0.00000
    140       2.8274      0.00000
    141       2.8838      0.00000
    142       3.0561      0.00000
    143       3.1181      0.00000
    144       3.1244      0.00000
    145       3.1597      0.00000
    146       3.1913      0.00000
    147       3.2468      0.00000
    148       3.4224      0.00000
    149       3.4753      0.00000
    150       3.4971      0.00000
    151       3.5994      0.00000
    152       3.6061      0.00000
    153       3.7903      0.00000
    154       3.8584      0.00000
    155       3.9259      0.00000
    156       4.0287      0.00000
    157       4.1286      0.00000
    158       4.1394      0.00000
    159       4.2020      0.00000
    160       4.2994      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9339      1.00000
      2     -21.7351      1.00000
      3     -21.3772      1.00000
      4     -21.3425      1.00000
      5     -20.6385      1.00000
      6     -20.5981      1.00000
      7     -20.2755      1.00000
      8     -20.2356      1.00000
      9     -20.2261      1.00000
     10     -19.6951      1.00000
     11     -19.1756      1.00000
     12     -19.1425      1.00000
     13     -18.9765      1.00000
     14     -18.9575      1.00000
     15     -18.1165      1.00000
     16     -18.0727      1.00000
     17     -17.6001      1.00000
     18     -17.5704      1.00000
     19     -17.4287      1.00000
     20     -17.3885      1.00000
     21     -17.1116      1.00000
     22     -17.0887      1.00000
     23     -17.0111      1.00000
     24     -16.1397      1.00000
     25     -16.1195      1.00000
     26     -15.6254      1.00000
     27     -15.0944      1.00000
     28     -15.0677      1.00000
     29     -14.7765      1.00000
     30     -14.7529      1.00000
     31     -14.5438      1.00000
     32     -14.5107      1.00000
     33     -13.9605      1.00000
     34     -13.9241      1.00000
     35     -13.1177      1.00000
     36     -13.0721      1.00000
     37     -12.8680      1.00000
     38     -12.8387      1.00000
     39     -12.6454      1.00000
     40     -12.6309      1.00000
     41     -12.3094      1.00000
     42     -12.2767      1.00000
     43     -11.8798      1.00000
     44     -11.3706      1.00000
     45     -11.2062      1.00000
     46     -11.1531      1.00000
     47     -10.9597      1.00000
     48     -10.9500      1.00000
     49     -10.8111      1.00000
     50     -10.3498      1.00000
     51     -10.3342      1.00000
     52     -10.0951      1.00000
     53      -9.9899      1.00000
     54      -9.9840      1.00000
     55      -9.8430      1.00000
     56      -9.7869      1.00000
     57      -9.7814      1.00000
     58      -9.4635      1.00000
     59      -9.4461      1.00000
     60      -9.4003      1.00000
     61      -9.3704      1.00000
     62      -9.3543      1.00000
     63      -9.3233      1.00000
     64      -9.0337      1.00000
     65      -9.0213      1.00000
     66      -8.9872      1.00000
     67      -8.7027      1.00000
     68      -8.6351      1.00000
     69      -8.5447      1.00000
     70      -8.4770      1.00000
     71      -8.2738      1.00000
     72      -8.1903      1.00000
     73      -8.0709      1.00000
     74      -8.0560      1.00000
     75      -8.0118      1.00000
     76      -7.9577      1.00000
     77      -7.9340      1.00000
     78      -7.9268      1.00000
     79      -7.9048      1.00000
     80      -7.4693      1.00000
     81      -7.0718      1.00000
     82      -7.0298      1.00000
     83      -7.0198      1.00000
     84      -6.9192      1.00000
     85      -6.8967      1.00000
     86      -6.6634      1.00000
     87      -6.6551      1.00000
     88      -6.3050      1.00000
     89      -6.2427      1.00000
     90      -5.9756      1.00000
     91      -5.9100      1.00000
     92      -5.7348      1.00000
     93      -5.5218      1.00000
     94      -5.3946      1.00000
     95      -5.2323      1.00000
     96      -5.0660      1.00000
     97      -5.0027      1.00000
     98      -4.9022      1.00000
     99      -4.9009      1.00000
    100      -4.3199      1.00000
    101      -4.1620      1.00000
    102      -4.0614      1.00000
    103      -3.7731      1.00000
    104      -3.5606      1.00000
    105      -3.3585      1.00000
    106      -3.3484      1.00000
    107      -1.9434      0.00000
    108      -1.5319      0.00000
    109      -1.3411      0.00000
    110      -0.8301      0.00000
    111      -0.7070      0.00000
    112      -0.6614      0.00000
    113      -0.3481      0.00000
    114      -0.3128      0.00000
    115      -0.3024      0.00000
    116      -0.2836      0.00000
    117       0.4532      0.00000
    118       0.5384      0.00000
    119       0.8213      0.00000
    120       1.0778      0.00000
    121       1.1345      0.00000
    122       1.4147      0.00000
    123       1.5055      0.00000
    124       1.5557      0.00000
    125       1.6056      0.00000
    126       1.7072      0.00000
    127       1.8670      0.00000
    128       1.8937      0.00000
    129       1.9457      0.00000
    130       2.0540      0.00000
    131       2.0956      0.00000
    132       2.1968      0.00000
    133       2.3557      0.00000
    134       2.5196      0.00000
    135       2.6273      0.00000
    136       2.6566      0.00000
    137       2.7107      0.00000
    138       2.7583      0.00000
    139       2.9014      0.00000
    140       2.9673      0.00000
    141       3.0319      0.00000
    142       3.1996      0.00000
    143       3.2254      0.00000
    144       3.2556      0.00000
    145       3.3769      0.00000
    146       3.4156      0.00000
    147       3.4715      0.00000
    148       3.5391      0.00000
    149       3.6186      0.00000
    150       3.6450      0.00000
    151       3.6811      0.00000
    152       3.7070      0.00000
    153       3.8249      0.00000
    154       3.8964      0.00000
    155       3.9210      0.00000
    156       3.9379      0.00000
    157       3.9920      0.00000
    158       4.0230      0.00000
    159       4.0985      0.00000
    160       4.1056      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9692      1.00000
      2     -21.6105      1.00000
      3     -21.5614      1.00000
      4     -21.0369      1.00000
      5     -21.0133      1.00000
      6     -20.4915      1.00000
      7     -20.4438      1.00000
      8     -20.2842      1.00000
      9     -19.7354      1.00000
     10     -19.7337      1.00000
     11     -19.3789      1.00000
     12     -19.3572      1.00000
     13     -18.6578      1.00000
     14     -18.6540      1.00000
     15     -18.3030      1.00000
     16     -18.2915      1.00000
     17     -18.1251      1.00000
     18     -17.3547      1.00000
     19     -17.2930      1.00000
     20     -17.2805      1.00000
     21     -17.2540      1.00000
     22     -16.7878      1.00000
     23     -16.7734      1.00000
     24     -16.6265      1.00000
     25     -15.6629      1.00000
     26     -15.6071      1.00000
     27     -15.2524      1.00000
     28     -15.2419      1.00000
     29     -14.9732      1.00000
     30     -14.5293      1.00000
     31     -14.4991      1.00000
     32     -14.2527      1.00000
     33     -14.2129      1.00000
     34     -13.8387      1.00000
     35     -13.8317      1.00000
     36     -12.8129      1.00000
     37     -12.7584      1.00000
     38     -12.7179      1.00000
     39     -12.6940      1.00000
     40     -12.3881      1.00000
     41     -12.3797      1.00000
     42     -12.0062      1.00000
     43     -11.9802      1.00000
     44     -11.4425      1.00000
     45     -11.3054      1.00000
     46     -11.2439      1.00000
     47     -11.1244      1.00000
     48     -10.6056      1.00000
     49     -10.5911      1.00000
     50     -10.3041      1.00000
     51     -10.2913      1.00000
     52     -10.1715      1.00000
     53     -10.1702      1.00000
     54     -10.1122      1.00000
     55     -10.0998      1.00000
     56     -10.0228      1.00000
     57      -9.7105      1.00000
     58      -9.5820      1.00000
     59      -9.2852      1.00000
     60      -9.2280      1.00000
     61      -9.1518      1.00000
     62      -9.0824      1.00000
     63      -9.0658      1.00000
     64      -9.0455      1.00000
     65      -8.9989      1.00000
     66      -8.9680      1.00000
     67      -8.8615      1.00000
     68      -8.8277      1.00000
     69      -8.7832      1.00000
     70      -8.5357      1.00000
     71      -8.5290      1.00000
     72      -8.3977      1.00000
     73      -8.2801      1.00000
     74      -8.1261      1.00000
     75      -7.8828      1.00000
     76      -7.8452      1.00000
     77      -7.6010      1.00000
     78      -7.5352      1.00000
     79      -7.5038      1.00000
     80      -7.4998      1.00000
     81      -7.3869      1.00000
     82      -7.3764      1.00000
     83      -7.1326      1.00000
     84      -7.0768      1.00000
     85      -6.6052      1.00000
     86      -6.5814      1.00000
     87      -6.4817      1.00000
     88      -6.3523      1.00000
     89      -6.1148      1.00000
     90      -6.0519      1.00000
     91      -5.9791      1.00000
     92      -5.8983      1.00000
     93      -5.7322      1.00000
     94      -5.3409      1.00000
     95      -5.1662      1.00000
     96      -5.1262      1.00000
     97      -5.0550      1.00000
     98      -4.9027      1.00000
     99      -4.4514      1.00000
    100      -4.3961      1.00000
    101      -4.1602      1.00000
    102      -4.0372      1.00000
    103      -3.9401      1.00000
    104      -3.5538      1.00000
    105      -3.4899      1.00000
    106      -3.0590      1.00000
    107      -2.1235      0.00000
    108      -1.6022      0.00000
    109      -0.9393      0.00000
    110      -0.9074      0.00000
    111      -0.8422      0.00000
    112      -0.6371      0.00000
    113      -0.6281      0.00000
    114      -0.4966      0.00000
    115      -0.4840      0.00000
    116       0.4893      0.00000
    117       0.4929      0.00000
    118       0.5881      0.00000
    119       0.7905      0.00000
    120       1.0276      0.00000
    121       1.0829      0.00000
    122       1.2918      0.00000
    123       1.3022      0.00000
    124       1.4746      0.00000
    125       1.6348      0.00000
    126       1.7155      0.00000
    127       1.8397      0.00000
    128       2.0117      0.00000
    129       2.0595      0.00000
    130       2.0907      0.00000
    131       2.1691      0.00000
    132       2.3049      0.00000
    133       2.3533      0.00000
    134       2.4526      0.00000
    135       2.5462      0.00000
    136       2.7456      0.00000
    137       2.8041      0.00000
    138       2.8420      0.00000
    139       2.8835      0.00000
    140       2.9052      0.00000
    141       3.0554      0.00000
    142       3.0564      0.00000
    143       3.1277      0.00000
    144       3.1717      0.00000
    145       3.2624      0.00000
    146       3.3023      0.00000
    147       3.3705      0.00000
    148       3.4822      0.00000
    149       3.5838      0.00000
    150       3.6015      0.00000
    151       3.6802      0.00000
    152       3.6984      0.00000
    153       3.8041      0.00000
    154       3.9020      0.00000
    155       3.9600      0.00000
    156       3.9826      0.00000
    157       4.0019      0.00000
    158       4.0978      0.00000
    159       4.1676      0.00000
    160       4.1715      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8532      1.00000
      2     -21.7808      1.00000
      3     -21.6180      1.00000
      4     -21.0633      1.00000
      5     -20.7117      1.00000
      6     -20.6701      1.00000
      7     -20.1635      1.00000
      8     -20.1173      1.00000
      9     -19.9630      1.00000
     10     -19.9331      1.00000
     11     -19.6147      1.00000
     12     -19.5571      1.00000
     13     -18.5434      1.00000
     14     -18.4800      1.00000
     15     -18.0276      1.00000
     16     -17.9629      1.00000
     17     -17.8247      1.00000
     18     -17.7957      1.00000
     19     -17.4988      1.00000
     20     -17.4481      1.00000
     21     -16.9316      1.00000
     22     -16.9014      1.00000
     23     -16.8385      1.00000
     24     -16.7979      1.00000
     25     -15.7652      1.00000
     26     -15.5638      1.00000
     27     -15.5295      1.00000
     28     -15.4973      1.00000
     29     -14.9161      1.00000
     30     -14.2366      1.00000
     31     -14.1908      1.00000
     32     -13.9605      1.00000
     33     -13.6360      1.00000
     34     -13.6256      1.00000
     35     -13.4984      1.00000
     36     -13.4727      1.00000
     37     -13.2962      1.00000
     38     -13.2352      1.00000
     39     -13.0281      1.00000
     40     -12.2922      1.00000
     41     -11.9000      1.00000
     42     -11.8021      1.00000
     43     -11.7522      1.00000
     44     -11.6882      1.00000
     45     -11.3974      1.00000
     46     -11.3265      1.00000
     47     -11.1841      1.00000
     48     -10.8048      1.00000
     49     -10.7884      1.00000
     50     -10.4582      1.00000
     51     -10.4026      1.00000
     52     -10.0298      1.00000
     53      -9.8927      1.00000
     54      -9.8741      1.00000
     55      -9.8357      1.00000
     56      -9.6902      1.00000
     57      -9.6837      1.00000
     58      -9.6473      1.00000
     59      -9.4835      1.00000
     60      -9.4677      1.00000
     61      -9.4427      1.00000
     62      -9.4311      1.00000
     63      -9.1288      1.00000
     64      -9.0363      1.00000
     65      -8.7661      1.00000
     66      -8.7423      1.00000
     67      -8.7039      1.00000
     68      -8.6014      1.00000
     69      -8.5433      1.00000
     70      -8.3975      1.00000
     71      -8.3698      1.00000
     72      -8.2529      1.00000
     73      -8.2134      1.00000
     74      -8.1595      1.00000
     75      -8.1333      1.00000
     76      -8.0411      1.00000
     77      -7.9103      1.00000
     78      -7.7672      1.00000
     79      -7.7049      1.00000
     80      -7.5848      1.00000
     81      -7.4405      1.00000
     82      -7.2890      1.00000
     83      -7.2103      1.00000
     84      -6.6983      1.00000
     85      -6.6103      1.00000
     86      -6.5568      1.00000
     87      -6.4521      1.00000
     88      -6.2420      1.00000
     89      -6.1658      1.00000
     90      -6.1016      1.00000
     91      -5.9063      1.00000
     92      -5.6744      1.00000
     93      -5.5121      1.00000
     94      -5.4706      1.00000
     95      -5.2749      1.00000
     96      -5.1178      1.00000
     97      -4.9393      1.00000
     98      -4.9063      1.00000
     99      -4.9014      1.00000
    100      -4.4890      1.00000
    101      -4.1605      1.00000
    102      -4.0470      1.00000
    103      -3.9272      1.00000
    104      -3.5718      1.00000
    105      -3.5152      1.00000
    106      -2.8579      1.00000
    107      -2.2506      0.00000
    108      -1.6804      0.00000
    109      -0.9102      0.00000
    110      -0.8649      0.00000
    111      -0.8610      0.00000
    112      -0.7835      0.00000
    113      -0.1996      0.00000
    114      -0.1667      0.00000
    115      -0.0196      0.00000
    116       0.0028      0.00000
    117       0.2428      0.00000
    118       0.3237      0.00000
    119       0.7701      0.00000
    120       0.8565      0.00000
    121       0.9371      0.00000
    122       1.0581      0.00000
    123       1.2832      0.00000
    124       1.5165      0.00000
    125       1.5903      0.00000
    126       1.6767      0.00000
    127       1.9582      0.00000
    128       2.0268      0.00000
    129       2.0677      0.00000
    130       2.1251      0.00000
    131       2.3066      0.00000
    132       2.3716      0.00000
    133       2.4826      0.00000
    134       2.5803      0.00000
    135       2.6713      0.00000
    136       2.7606      0.00000
    137       2.9346      0.00000
    138       2.9896      0.00000
    139       3.0359      0.00000
    140       3.0576      0.00000
    141       3.1471      0.00000
    142       3.1648      0.00000
    143       3.1822      0.00000
    144       3.2194      0.00000
    145       3.3323      0.00000
    146       3.3949      0.00000
    147       3.4485      0.00000
    148       3.4692      0.00000
    149       3.4962      0.00000
    150       3.5437      0.00000
    151       3.5784      0.00000
    152       3.6000      0.00000
    153       3.6336      0.00000
    154       3.6962      0.00000
    155       3.7869      0.00000
    156       3.8942      0.00000
    157       3.9483      0.00000
    158       4.0432      0.00000
    159       4.1894      0.00000
    160       4.2037      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9687      1.00000
      2     -21.6166      1.00000
      3     -21.5554      1.00000
      4     -21.0459      1.00000
      5     -21.0043      1.00000
      6     -20.4969      1.00000
      7     -20.4379      1.00000
      8     -20.2832      1.00000
      9     -19.7565      1.00000
     10     -19.7157      1.00000
     11     -19.3851      1.00000
     12     -19.3486      1.00000
     13     -18.6789      1.00000
     14     -18.6352      1.00000
     15     -18.3218      1.00000
     16     -18.2758      1.00000
     17     -18.1240      1.00000
     18     -17.3429      1.00000
     19     -17.2987      1.00000
     20     -17.2725      1.00000
     21     -17.2463      1.00000
     22     -16.8133      1.00000
     23     -16.7577      1.00000
     24     -16.6410      1.00000
     25     -15.6882      1.00000
     26     -15.5784      1.00000
     27     -15.2738      1.00000
     28     -15.2346      1.00000
     29     -14.9413      1.00000
     30     -14.5598      1.00000
     31     -14.4925      1.00000
     32     -14.2472      1.00000
     33     -14.2056      1.00000
     34     -13.8364      1.00000
     35     -13.8253      1.00000
     36     -12.8644      1.00000
     37     -12.7593      1.00000
     38     -12.6985      1.00000
     39     -12.6840      1.00000
     40     -12.4090      1.00000
     41     -12.3607      1.00000
     42     -12.0074      1.00000
     43     -11.9849      1.00000
     44     -11.3775      1.00000
     45     -11.2929      1.00000
     46     -11.2339      1.00000
     47     -11.1806      1.00000
     48     -10.6055      1.00000
     49     -10.5900      1.00000
     50     -10.3395      1.00000
     51     -10.2653      1.00000
     52     -10.2128      1.00000
     53     -10.1690      1.00000
     54     -10.1274      1.00000
     55     -10.0736      1.00000
     56     -10.0218      1.00000
     57      -9.7124      1.00000
     58      -9.5771      1.00000
     59      -9.2889      1.00000
     60      -9.2236      1.00000
     61      -9.1300      1.00000
     62      -9.0984      1.00000
     63      -9.0743      1.00000
     64      -9.0442      1.00000
     65      -9.0059      1.00000
     66      -8.9536      1.00000
     67      -8.8424      1.00000
     68      -8.8001      1.00000
     69      -8.7810      1.00000
     70      -8.5424      1.00000
     71      -8.5327      1.00000
     72      -8.4109      1.00000
     73      -8.2698      1.00000
     74      -8.1546      1.00000
     75      -7.8758      1.00000
     76      -7.8468      1.00000
     77      -7.6335      1.00000
     78      -7.5403      1.00000
     79      -7.5029      1.00000
     80      -7.4523      1.00000
     81      -7.3951      1.00000
     82      -7.3601      1.00000
     83      -7.1625      1.00000
     84      -7.0495      1.00000
     85      -6.6267      1.00000
     86      -6.5866      1.00000
     87      -6.4939      1.00000
     88      -6.3062      1.00000
     89      -6.0973      1.00000
     90      -6.0436      1.00000
     91      -5.9816      1.00000
     92      -5.8758      1.00000
     93      -5.7956      1.00000
     94      -5.4811      1.00000
     95      -5.2692      1.00000
     96      -5.0630      1.00000
     97      -4.9039      1.00000
     98      -4.7697      1.00000
     99      -4.5158      1.00000
    100      -4.4351      1.00000
    101      -4.1740      1.00000
    102      -4.0051      1.00000
    103      -3.8636      1.00000
    104      -3.5957      1.00000
    105      -3.5213      1.00000
    106      -3.1683      1.00000
    107      -1.9278      0.00000
    108      -1.6945      0.00000
    109      -0.9868      0.00000
    110      -0.8968      0.00000
    111      -0.8732      0.00000
    112      -0.6340      0.00000
    113      -0.5809      0.00000
    114      -0.4930      0.00000
    115      -0.4663      0.00000
    116       0.3740      0.00000
    117       0.5306      0.00000
    118       0.5760      0.00000
    119       0.8127      0.00000
    120       1.0913      0.00000
    121       1.0984      0.00000
    122       1.2244      0.00000
    123       1.3542      0.00000
    124       1.4695      0.00000
    125       1.5992      0.00000
    126       1.7396      0.00000
    127       1.8374      0.00000
    128       1.9983      0.00000
    129       2.0671      0.00000
    130       2.0942      0.00000
    131       2.1591      0.00000
    132       2.3458      0.00000
    133       2.3634      0.00000
    134       2.4587      0.00000
    135       2.5057      0.00000
    136       2.7522      0.00000
    137       2.8028      0.00000
    138       2.8421      0.00000
    139       2.8767      0.00000
    140       2.9146      0.00000
    141       3.0368      0.00000
    142       3.0523      0.00000
    143       3.1319      0.00000
    144       3.1701      0.00000
    145       3.2671      0.00000
    146       3.3106      0.00000
    147       3.3809      0.00000
    148       3.4819      0.00000
    149       3.5721      0.00000
    150       3.6110      0.00000
    151       3.6833      0.00000
    152       3.6961      0.00000
    153       3.7996      0.00000
    154       3.9077      0.00000
    155       3.9325      0.00000
    156       3.9884      0.00000
    157       4.0031      0.00000
    158       4.1100      0.00000
    159       4.1345      0.00000
    160       4.1630      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0421      1.00000
      2     -21.4846      1.00000
      3     -21.2968      1.00000
      4     -21.2697      1.00000
      5     -20.9315      1.00000
      6     -20.8967      1.00000
      7     -20.7181      1.00000
      8     -19.8277      1.00000
      9     -19.7908      1.00000
     10     -19.2808      1.00000
     11     -19.2528      1.00000
     12     -19.0764      1.00000
     13     -18.7658      1.00000
     14     -18.7240      1.00000
     15     -18.7065      1.00000
     16     -18.6967      1.00000
     17     -18.0338      1.00000
     18     -18.0124      1.00000
     19     -17.6789      1.00000
     20     -16.7375      1.00000
     21     -16.6912      1.00000
     22     -16.6238      1.00000
     23     -16.6063      1.00000
     24     -16.1606      1.00000
     25     -16.1277      1.00000
     26     -15.2792      1.00000
     27     -15.2614      1.00000
     28     -14.9064      1.00000
     29     -14.8981      1.00000
     30     -14.8738      1.00000
     31     -14.7790      1.00000
     32     -14.7345      1.00000
     33     -14.3740      1.00000
     34     -14.3552      1.00000
     35     -13.4088      1.00000
     36     -13.3830      1.00000
     37     -12.9137      1.00000
     38     -12.3487      1.00000
     39     -12.2486      1.00000
     40     -12.1270      1.00000
     41     -12.1139      1.00000
     42     -11.7813      1.00000
     43     -11.7637      1.00000
     44     -11.3913      1.00000
     45     -11.3624      1.00000
     46     -11.2618      1.00000
     47     -10.9008      1.00000
     48     -10.8956      1.00000
     49     -10.6761      1.00000
     50     -10.6737      1.00000
     51     -10.5983      1.00000
     52     -10.5572      1.00000
     53     -10.1994      1.00000
     54      -9.8750      1.00000
     55      -9.8202      1.00000
     56      -9.7597      1.00000
     57      -9.5683      1.00000
     58      -9.3688      1.00000
     59      -9.3568      1.00000
     60      -9.3251      1.00000
     61      -9.2995      1.00000
     62      -9.2351      1.00000
     63      -9.1989      1.00000
     64      -8.9944      1.00000
     65      -8.9697      1.00000
     66      -8.9206      1.00000
     67      -8.9074      1.00000
     68      -8.8004      1.00000
     69      -8.7892      1.00000
     70      -8.7781      1.00000
     71      -8.6121      1.00000
     72      -8.5442      1.00000
     73      -8.2729      1.00000
     74      -8.2645      1.00000
     75      -7.8174      1.00000
     76      -7.7250      1.00000
     77      -7.5758      1.00000
     78      -7.5001      1.00000
     79      -7.4592      1.00000
     80      -7.4204      1.00000
     81      -7.1396      1.00000
     82      -6.9911      1.00000
     83      -6.9686      1.00000
     84      -6.9391      1.00000
     85      -6.8824      1.00000
     86      -6.6811      1.00000
     87      -6.5609      1.00000
     88      -6.4403      1.00000
     89      -6.3909      1.00000
     90      -6.3072      1.00000
     91      -5.8648      1.00000
     92      -5.7919      1.00000
     93      -5.7696      1.00000
     94      -5.6549      1.00000
     95      -5.5964      1.00000
     96      -5.0448      1.00000
     97      -4.6206      1.00000
     98      -4.5250      1.00000
     99      -4.3634      1.00000
    100      -4.2396      1.00000
    101      -4.1835      1.00000
    102      -3.8330      1.00000
    103      -3.8016      1.00000
    104      -3.7315      1.00000
    105      -3.4525      1.00000
    106      -3.4224      1.00000
    107      -1.8110      0.00000
    108      -1.4355      0.00000
    109      -1.3860      0.00000
    110      -1.0269      0.00000
    111      -1.0026      0.00000
    112      -0.9784      0.00000
    113      -0.8551      0.00000
    114      -0.2673      0.00000
    115       0.0422      0.00000
    116       0.0722      0.00000
    117       0.7422      0.00000
    118       0.9081      0.00000
    119       0.9324      0.00000
    120       1.2034      0.00000
    121       1.2649      0.00000
    122       1.3547      0.00000
    123       1.4305      0.00000
    124       1.4727      0.00000
    125       1.5468      0.00000
    126       1.6848      0.00000
    127       1.7633      0.00000
    128       1.9608      0.00000
    129       1.9788      0.00000
    130       2.1660      0.00000
    131       2.1998      0.00000
    132       2.2321      0.00000
    133       2.3316      0.00000
    134       2.3850      0.00000
    135       2.4217      0.00000
    136       2.5428      0.00000
    137       2.7128      0.00000
    138       2.7412      0.00000
    139       2.7818      0.00000
    140       2.8142      0.00000
    141       2.8744      0.00000
    142       3.0455      0.00000
    143       3.1293      0.00000
    144       3.1483      0.00000
    145       3.1694      0.00000
    146       3.2181      0.00000
    147       3.2314      0.00000
    148       3.4205      0.00000
    149       3.4229      0.00000
    150       3.4981      0.00000
    151       3.6033      0.00000
    152       3.6071      0.00000
    153       3.7872      0.00000
    154       3.8571      0.00000
    155       3.9232      0.00000
    156       4.0020      0.00000
    157       4.1340      0.00000
    158       4.1582      0.00000
    159       4.2072      0.00000
    160       4.3149      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8493      1.00000
      2     -21.7866      1.00000
      3     -21.6161      1.00000
      4     -21.0638      1.00000
      5     -20.7022      1.00000
      6     -20.6794      1.00000
      7     -20.1537      1.00000
      8     -20.1278      1.00000
      9     -19.9481      1.00000
     10     -19.9473      1.00000
     11     -19.6084      1.00000
     12     -19.5636      1.00000
     13     -18.5438      1.00000
     14     -18.4872      1.00000
     15     -17.9968      1.00000
     16     -17.9821      1.00000
     17     -17.8151      1.00000
     18     -17.8094      1.00000
     19     -17.4782      1.00000
     20     -17.4634      1.00000
     21     -16.9358      1.00000
     22     -16.9082      1.00000
     23     -16.8226      1.00000
     24     -16.8034      1.00000
     25     -15.7940      1.00000
     26     -15.5341      1.00000
     27     -15.5322      1.00000
     28     -15.5161      1.00000
     29     -14.8930      1.00000
     30     -14.2228      1.00000
     31     -14.2021      1.00000
     32     -13.9385      1.00000
     33     -13.6697      1.00000
     34     -13.6289      1.00000
     35     -13.4971      1.00000
     36     -13.4824      1.00000
     37     -13.2727      1.00000
     38     -13.2448      1.00000
     39     -13.0321      1.00000
     40     -12.3177      1.00000
     41     -11.8415      1.00000
     42     -11.8276      1.00000
     43     -11.7230      1.00000
     44     -11.6877      1.00000
     45     -11.4149      1.00000
     46     -11.3430      1.00000
     47     -11.1751      1.00000
     48     -10.8060      1.00000
     49     -10.7965      1.00000
     50     -10.4585      1.00000
     51     -10.4033      1.00000
     52     -10.0392      1.00000
     53      -9.8794      1.00000
     54      -9.8700      1.00000
     55      -9.8507      1.00000
     56      -9.7022      1.00000
     57      -9.6641      1.00000
     58      -9.6477      1.00000
     59      -9.4951      1.00000
     60      -9.4674      1.00000
     61      -9.4449      1.00000
     62      -9.4337      1.00000
     63      -9.1299      1.00000
     64      -9.0332      1.00000
     65      -8.7667      1.00000
     66      -8.7312      1.00000
     67      -8.6733      1.00000
     68      -8.6310      1.00000
     69      -8.5357      1.00000
     70      -8.3818      1.00000
     71      -8.3735      1.00000
     72      -8.2423      1.00000
     73      -8.2217      1.00000
     74      -8.1343      1.00000
     75      -8.1343      1.00000
     76      -8.0100      1.00000
     77      -7.9746      1.00000
     78      -7.7677      1.00000
     79      -7.7294      1.00000
     80      -7.6251      1.00000
     81      -7.3740      1.00000
     82      -7.2947      1.00000
     83      -7.1863      1.00000
     84      -6.7398      1.00000
     85      -6.6329      1.00000
     86      -6.5624      1.00000
     87      -6.3091      1.00000
     88      -6.2304      1.00000
     89      -6.1673      1.00000
     90      -6.1360      1.00000
     91      -6.0571      1.00000
     92      -5.6747      1.00000
     93      -5.4878      1.00000
     94      -5.4527      1.00000
     95      -5.2998      1.00000
     96      -5.0921      1.00000
     97      -4.9195      1.00000
     98      -4.9106      1.00000
     99      -4.8772      1.00000
    100      -4.4596      1.00000
    101      -4.1502      1.00000
    102      -4.0227      1.00000
    103      -3.9546      1.00000
    104      -3.5846      1.00000
    105      -3.5332      1.00000
    106      -2.9598      1.00000
    107      -2.1050      0.00000
    108      -1.7299      0.00000
    109      -0.8669      0.00000
    110      -0.8644      0.00000
    111      -0.8572      0.00000
    112      -0.8324      0.00000
    113      -0.1877      0.00000
    114      -0.1724      0.00000
    115      -0.0399      0.00000
    116      -0.0168      0.00000
    117       0.2953      0.00000
    118       0.3020      0.00000
    119       0.7487      0.00000
    120       0.8491      0.00000
    121       0.9897      0.00000
    122       1.0299      0.00000
    123       1.2444      0.00000
    124       1.5713      0.00000
    125       1.5770      0.00000
    126       1.6553      0.00000
    127       1.9644      0.00000
    128       2.0326      0.00000
    129       2.0660      0.00000
    130       2.1345      0.00000
    131       2.3048      0.00000
    132       2.3719      0.00000
    133       2.5390      0.00000
    134       2.5548      0.00000
    135       2.6552      0.00000
    136       2.8274      0.00000
    137       2.9287      0.00000
    138       2.9596      0.00000
    139       3.0266      0.00000
    140       3.0579      0.00000
    141       3.1199      0.00000
    142       3.1618      0.00000
    143       3.1980      0.00000
    144       3.2143      0.00000
    145       3.3351      0.00000
    146       3.3885      0.00000
    147       3.4334      0.00000
    148       3.4717      0.00000
    149       3.5052      0.00000
    150       3.5427      0.00000
    151       3.5613      0.00000
    152       3.5813      0.00000
    153       3.6322      0.00000
    154       3.6830      0.00000
    155       3.8040      0.00000
    156       3.9151      0.00000
    157       3.9479      0.00000
    158       4.0426      0.00000
    159       4.1774      0.00000
    160       4.1973      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9327      1.00000
      2     -21.7375      1.00000
      3     -21.3740      1.00000
      4     -21.3445      1.00000
      5     -20.6369      1.00000
      6     -20.5999      1.00000
      7     -20.2669      1.00000
      8     -20.2389      1.00000
      9     -20.2306      1.00000
     10     -19.6946      1.00000
     11     -19.1731      1.00000
     12     -19.1446      1.00000
     13     -18.9778      1.00000
     14     -18.9631      1.00000
     15     -18.1081      1.00000
     16     -18.0731      1.00000
     17     -17.5990      1.00000
     18     -17.5746      1.00000
     19     -17.4241      1.00000
     20     -17.3872      1.00000
     21     -17.1129      1.00000
     22     -17.0908      1.00000
     23     -17.0011      1.00000
     24     -16.1592      1.00000
     25     -16.1232      1.00000
     26     -15.6404      1.00000
     27     -15.0827      1.00000
     28     -15.0641      1.00000
     29     -14.7718      1.00000
     30     -14.7497      1.00000
     31     -14.5123      1.00000
     32     -14.5055      1.00000
     33     -13.9890      1.00000
     34     -13.9213      1.00000
     35     -13.1476      1.00000
     36     -13.0683      1.00000
     37     -12.8578      1.00000
     38     -12.8332      1.00000
     39     -12.6610      1.00000
     40     -12.6391      1.00000
     41     -12.2925      1.00000
     42     -12.2698      1.00000
     43     -11.8830      1.00000
     44     -11.2728      1.00000
     45     -11.2502      1.00000
     46     -11.1803      1.00000
     47     -10.9827      1.00000
     48     -10.9404      1.00000
     49     -10.8091      1.00000
     50     -10.3769      1.00000
     51     -10.3361      1.00000
     52     -10.0937      1.00000
     53      -9.9843      1.00000
     54      -9.9840      1.00000
     55      -9.8561      1.00000
     56      -9.7971      1.00000
     57      -9.7640      1.00000
     58      -9.4808      1.00000
     59      -9.4203      1.00000
     60      -9.3898      1.00000
     61      -9.3755      1.00000
     62      -9.3676      1.00000
     63      -9.3199      1.00000
     64      -9.0360      1.00000
     65      -9.0204      1.00000
     66      -8.9902      1.00000
     67      -8.6545      1.00000
     68      -8.6351      1.00000
     69      -8.5808      1.00000
     70      -8.4579      1.00000
     71      -8.2633      1.00000
     72      -8.1970      1.00000
     73      -8.0972      1.00000
     74      -8.0596      1.00000
     75      -7.9729      1.00000
     76      -7.9678      1.00000
     77      -7.9325      1.00000
     78      -7.9131      1.00000
     79      -7.9025      1.00000
     80      -7.4899      1.00000
     81      -7.2153      1.00000
     82      -7.0245      1.00000
     83      -6.9403      1.00000
     84      -6.8758      1.00000
     85      -6.8233      1.00000
     86      -6.6740      1.00000
     87      -6.6342      1.00000
     88      -6.2888      1.00000
     89      -6.2627      1.00000
     90      -6.1414      1.00000
     91      -5.9488      1.00000
     92      -5.6321      1.00000
     93      -5.5178      1.00000
     94      -5.3931      1.00000
     95      -5.3192      1.00000
     96      -5.0079      1.00000
     97      -4.9733      1.00000
     98      -4.9074      1.00000
     99      -4.8800      1.00000
    100      -4.2456      1.00000
    101      -4.1672      1.00000
    102      -3.9699      1.00000
    103      -3.7940      1.00000
    104      -3.6111      1.00000
    105      -3.5040      1.00000
    106      -3.3599      1.00000
    107      -1.7463      0.00000
    108      -1.5223      0.00000
    109      -1.4825      0.00000
    110      -0.7654      0.00000
    111      -0.7149      0.00000
    112      -0.7001      0.00000
    113      -0.3516      0.00000
    114      -0.3430      0.00000
    115      -0.2941      0.00000
    116      -0.2782      0.00000
    117       0.4674      0.00000
    118       0.5382      0.00000
    119       0.8219      0.00000
    120       1.0680      0.00000
    121       1.1240      0.00000
    122       1.3334      0.00000
    123       1.5342      0.00000
    124       1.5451      0.00000
    125       1.6288      0.00000
    126       1.7248      0.00000
    127       1.8633      0.00000
    128       1.9034      0.00000
    129       1.9506      0.00000
    130       2.0293      0.00000
    131       2.1507      0.00000
    132       2.2685      0.00000
    133       2.3572      0.00000
    134       2.5029      0.00000
    135       2.6278      0.00000
    136       2.6584      0.00000
    137       2.6939      0.00000
    138       2.7614      0.00000
    139       2.8970      0.00000
    140       2.9384      0.00000
    141       3.0320      0.00000
    142       3.1994      0.00000
    143       3.2244      0.00000
    144       3.2542      0.00000
    145       3.3674      0.00000
    146       3.4022      0.00000
    147       3.4721      0.00000
    148       3.5695      0.00000
    149       3.6373      0.00000
    150       3.6377      0.00000
    151       3.6643      0.00000
    152       3.7105      0.00000
    153       3.8255      0.00000
    154       3.8656      0.00000
    155       3.9197      0.00000
    156       3.9211      0.00000
    157       4.0005      0.00000
    158       4.0414      0.00000
    159       4.0886      0.00000
    160       4.0900      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0793      1.00000
      2     -21.2450      1.00000
      3     -21.1353      1.00000
      4     -21.1239      1.00000
      5     -21.1166      1.00000
      6     -21.0997      1.00000
      7     -21.0978      1.00000
      8     -19.3813      1.00000
      9     -19.3018      1.00000
     10     -19.2948      1.00000
     11     -19.2891      1.00000
     12     -19.2693      1.00000
     13     -19.2662      1.00000
     14     -18.4725      1.00000
     15     -18.4121      1.00000
     16     -18.4068      1.00000
     17     -18.3823      1.00000
     18     -18.3763      1.00000
     19     -18.3691      1.00000
     20     -16.3387      1.00000
     21     -16.2572      1.00000
     22     -16.2558      1.00000
     23     -16.2447      1.00000
     24     -16.2281      1.00000
     25     -16.2275      1.00000
     26     -15.3090      1.00000
     27     -15.2653      1.00000
     28     -15.2399      1.00000
     29     -15.2318      1.00000
     30     -15.2257      1.00000
     31     -15.2165      1.00000
     32     -13.9631      1.00000
     33     -13.9251      1.00000
     34     -13.9019      1.00000
     35     -13.8960      1.00000
     36     -13.8892      1.00000
     37     -13.8763      1.00000
     38     -11.7469      1.00000
     39     -11.5648      1.00000
     40     -11.5307      1.00000
     41     -11.5252      1.00000
     42     -11.5217      1.00000
     43     -11.5202      1.00000
     44     -11.4380      1.00000
     45     -11.4340      1.00000
     46     -11.4110      1.00000
     47     -11.3911      1.00000
     48     -11.3899      1.00000
     49     -11.3891      1.00000
     50     -11.1341      1.00000
     51     -10.2576      1.00000
     52     -10.0698      1.00000
     53     -10.0616      1.00000
     54     -10.0406      1.00000
     55     -10.0402      1.00000
     56     -10.0224      1.00000
     57      -9.9990      1.00000
     58      -9.4115      1.00000
     59      -9.1385      1.00000
     60      -9.0965      1.00000
     61      -9.0545      1.00000
     62      -9.0386      1.00000
     63      -9.0349      1.00000
     64      -8.8481      1.00000
     65      -8.7841      1.00000
     66      -8.7830      1.00000
     67      -8.7698      1.00000
     68      -8.7574      1.00000
     69      -8.7376      1.00000
     70      -8.7350      1.00000
     71      -8.7313      1.00000
     72      -8.7312      1.00000
     73      -8.7103      1.00000
     74      -8.6927      1.00000
     75      -8.6901      1.00000
     76      -7.3976      1.00000
     77      -7.2357      1.00000
     78      -7.1829      1.00000
     79      -7.1545      1.00000
     80      -7.1061      1.00000
     81      -7.1049      1.00000
     82      -7.0834      1.00000
     83      -7.0800      1.00000
     84      -6.9406      1.00000
     85      -6.9290      1.00000
     86      -6.9233      1.00000
     87      -6.9152      1.00000
     88      -6.3293      1.00000
     89      -6.2900      1.00000
     90      -6.0990      1.00000
     91      -6.0698      1.00000
     92      -6.0309      1.00000
     93      -6.0301      1.00000
     94      -5.6494      1.00000
     95      -5.6146      1.00000
     96      -4.9868      1.00000
     97      -4.6198      1.00000
     98      -4.2676      1.00000
     99      -4.2539      1.00000
    100      -4.0688      1.00000
    101      -4.0650      1.00000
    102      -4.0186      1.00000
    103      -3.8781      1.00000
    104      -3.5683      1.00000
    105      -3.4673      1.00000
    106      -3.4299      1.00000
    107      -1.8995      0.00000
    108      -1.2884      0.00000
    109      -1.2648      0.00000
    110      -1.2609      0.00000
    111      -1.2528      0.00000
    112      -1.2161      0.00000
    113      -1.0455      0.00000
    114       0.3622      0.00000
    115       0.4570      0.00000
    116       0.5336      0.00000
    117       0.5720      0.00000
    118       0.5865      0.00000
    119       0.5870      0.00000
    120       0.7581      0.00000
    121       1.2502      0.00000
    122       1.3225      0.00000
    123       1.3313      0.00000
    124       1.6590      0.00000
    125       1.9291      0.00000
    126       1.9338      0.00000
    127       1.9500      0.00000
    128       2.0213      0.00000
    129       2.1718      0.00000
    130       2.2906      0.00000
    131       2.2936      0.00000
    132       2.2949      0.00000
    133       2.2991      0.00000
    134       2.3045      0.00000
    135       2.3418      0.00000
    136       2.4069      0.00000
    137       2.5201      0.00000
    138       2.6618      0.00000
    139       2.6674      0.00000
    140       2.7130      0.00000
    141       2.7609      0.00000
    142       2.8495      0.00000
    143       2.8650      0.00000
    144       3.0025      0.00000
    145       3.0056      0.00000
    146       3.0165      0.00000
    147       3.0297      0.00000
    148       3.2796      0.00000
    149       3.4713      0.00000
    150       3.5968      0.00000
    151       3.7529      0.00000
    152       3.7624      0.00000
    153       3.9138      0.00000
    154       3.9270      0.00000
    155       3.9459      0.00000
    156       3.9803      0.00000
    157       4.1772      0.00000
    158       4.1796      0.00000
    159       4.3216      0.00000
    160       4.3281      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0423      1.00000
      2     -21.4828      1.00000
      3     -21.3008      1.00000
      4     -21.2679      1.00000
      5     -20.9318      1.00000
      6     -20.8943      1.00000
      7     -20.7201      1.00000
      8     -19.8292      1.00000
      9     -19.7893      1.00000
     10     -19.2796      1.00000
     11     -19.2495      1.00000
     12     -19.0822      1.00000
     13     -18.7587      1.00000
     14     -18.7218      1.00000
     15     -18.7113      1.00000
     16     -18.6987      1.00000
     17     -18.0335      1.00000
     18     -18.0086      1.00000
     19     -17.6867      1.00000
     20     -16.7479      1.00000
     21     -16.6924      1.00000
     22     -16.6195      1.00000
     23     -16.6035      1.00000
     24     -16.1443      1.00000
     25     -16.1231      1.00000
     26     -15.2938      1.00000
     27     -15.2653      1.00000
     28     -14.9405      1.00000
     29     -14.9013      1.00000
     30     -14.8435      1.00000
     31     -14.7636      1.00000
     32     -14.7360      1.00000
     33     -14.3749      1.00000
     34     -14.3576      1.00000
     35     -13.4121      1.00000
     36     -13.3873      1.00000
     37     -12.9092      1.00000
     38     -12.3074      1.00000
     39     -12.2529      1.00000
     40     -12.1275      1.00000
     41     -12.1088      1.00000
     42     -11.8262      1.00000
     43     -11.7749      1.00000
     44     -11.4408      1.00000
     45     -11.3495      1.00000
     46     -11.2023      1.00000
     47     -10.9018      1.00000
     48     -10.8905      1.00000
     49     -10.6875      1.00000
     50     -10.6730      1.00000
     51     -10.5940      1.00000
     52     -10.5692      1.00000
     53     -10.1912      1.00000
     54      -9.8291      1.00000
     55      -9.8189      1.00000
     56      -9.7735      1.00000
     57      -9.5762      1.00000
     58      -9.4007      1.00000
     59      -9.3723      1.00000
     60      -9.3101      1.00000
     61      -9.2836      1.00000
     62      -9.2484      1.00000
     63      -9.2037      1.00000
     64      -8.9861      1.00000
     65      -8.9754      1.00000
     66      -8.9267      1.00000
     67      -8.8823      1.00000
     68      -8.8181      1.00000
     69      -8.7833      1.00000
     70      -8.7736      1.00000
     71      -8.6106      1.00000
     72      -8.5447      1.00000
     73      -8.2971      1.00000
     74      -8.2685      1.00000
     75      -7.7842      1.00000
     76      -7.7211      1.00000
     77      -7.5665      1.00000
     78      -7.5349      1.00000
     79      -7.4340      1.00000
     80      -7.4300      1.00000
     81      -7.0735      1.00000
     82      -7.0479      1.00000
     83      -7.0208      1.00000
     84      -6.9835      1.00000
     85      -6.7929      1.00000
     86      -6.6962      1.00000
     87      -6.5529      1.00000
     88      -6.4656      1.00000
     89      -6.3665      1.00000
     90      -6.3052      1.00000
     91      -5.8412      1.00000
     92      -5.8126      1.00000
     93      -5.8021      1.00000
     94      -5.6898      1.00000
     95      -5.4785      1.00000
     96      -5.0499      1.00000
     97      -4.7420      1.00000
     98      -4.4592      1.00000
     99      -4.3726      1.00000
    100      -4.2103      1.00000
    101      -4.1663      1.00000
    102      -4.0194      1.00000
    103      -3.8294      1.00000
    104      -3.5251      1.00000
    105      -3.4564      1.00000
    106      -3.4047      1.00000
    107      -1.9192      0.00000
    108      -1.4346      0.00000
    109      -1.3138      0.00000
    110      -1.0121      0.00000
    111      -0.9751      0.00000
    112      -0.9586      0.00000
    113      -0.9103      0.00000
    114      -0.3122      0.00000
    115       0.0584      0.00000
    116       0.1050      0.00000
    117       0.7588      0.00000
    118       0.8724      0.00000
    119       1.0133      0.00000
    120       1.0790      0.00000
    121       1.2835      0.00000
    122       1.3664      0.00000
    123       1.4272      0.00000
    124       1.4950      0.00000
    125       1.5618      0.00000
    126       1.6763      0.00000
    127       1.7654      0.00000
    128       1.9638      0.00000
    129       1.9837      0.00000
    130       2.1189      0.00000
    131       2.2008      0.00000
    132       2.2616      0.00000
    133       2.3343      0.00000
    134       2.3723      0.00000
    135       2.4224      0.00000
    136       2.5391      0.00000
    137       2.7153      0.00000
    138       2.7438      0.00000
    139       2.7725      0.00000
    140       2.8274      0.00000
    141       2.8838      0.00000
    142       3.0561      0.00000
    143       3.1181      0.00000
    144       3.1244      0.00000
    145       3.1597      0.00000
    146       3.1913      0.00000
    147       3.2468      0.00000
    148       3.4224      0.00000
    149       3.4753      0.00000
    150       3.4971      0.00000
    151       3.5994      0.00000
    152       3.6061      0.00000
    153       3.7903      0.00000
    154       3.8585      0.00000
    155       3.9259      0.00000
    156       4.0287      0.00000
    157       4.1286      0.00000
    158       4.1394      0.00000
    159       4.2020      0.00000
    160       4.2994      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9339      1.00000
      2     -21.7351      1.00000
      3     -21.3772      1.00000
      4     -21.3425      1.00000
      5     -20.6385      1.00000
      6     -20.5981      1.00000
      7     -20.2755      1.00000
      8     -20.2356      1.00000
      9     -20.2261      1.00000
     10     -19.6951      1.00000
     11     -19.1756      1.00000
     12     -19.1425      1.00000
     13     -18.9765      1.00000
     14     -18.9575      1.00000
     15     -18.1165      1.00000
     16     -18.0727      1.00000
     17     -17.6001      1.00000
     18     -17.5704      1.00000
     19     -17.4287      1.00000
     20     -17.3885      1.00000
     21     -17.1116      1.00000
     22     -17.0887      1.00000
     23     -17.0111      1.00000
     24     -16.1397      1.00000
     25     -16.1195      1.00000
     26     -15.6254      1.00000
     27     -15.0944      1.00000
     28     -15.0677      1.00000
     29     -14.7765      1.00000
     30     -14.7529      1.00000
     31     -14.5438      1.00000
     32     -14.5107      1.00000
     33     -13.9605      1.00000
     34     -13.9241      1.00000
     35     -13.1177      1.00000
     36     -13.0721      1.00000
     37     -12.8680      1.00000
     38     -12.8387      1.00000
     39     -12.6454      1.00000
     40     -12.6309      1.00000
     41     -12.3094      1.00000
     42     -12.2767      1.00000
     43     -11.8798      1.00000
     44     -11.3706      1.00000
     45     -11.2062      1.00000
     46     -11.1531      1.00000
     47     -10.9597      1.00000
     48     -10.9500      1.00000
     49     -10.8111      1.00000
     50     -10.3498      1.00000
     51     -10.3342      1.00000
     52     -10.0951      1.00000
     53      -9.9899      1.00000
     54      -9.9840      1.00000
     55      -9.8430      1.00000
     56      -9.7869      1.00000
     57      -9.7814      1.00000
     58      -9.4635      1.00000
     59      -9.4461      1.00000
     60      -9.4003      1.00000
     61      -9.3704      1.00000
     62      -9.3543      1.00000
     63      -9.3233      1.00000
     64      -9.0337      1.00000
     65      -9.0213      1.00000
     66      -8.9872      1.00000
     67      -8.7027      1.00000
     68      -8.6351      1.00000
     69      -8.5447      1.00000
     70      -8.4770      1.00000
     71      -8.2738      1.00000
     72      -8.1903      1.00000
     73      -8.0709      1.00000
     74      -8.0560      1.00000
     75      -8.0118      1.00000
     76      -7.9577      1.00000
     77      -7.9340      1.00000
     78      -7.9268      1.00000
     79      -7.9048      1.00000
     80      -7.4693      1.00000
     81      -7.0718      1.00000
     82      -7.0298      1.00000
     83      -7.0198      1.00000
     84      -6.9192      1.00000
     85      -6.8967      1.00000
     86      -6.6634      1.00000
     87      -6.6551      1.00000
     88      -6.3050      1.00000
     89      -6.2427      1.00000
     90      -5.9756      1.00000
     91      -5.9100      1.00000
     92      -5.7348      1.00000
     93      -5.5218      1.00000
     94      -5.3946      1.00000
     95      -5.2323      1.00000
     96      -5.0660      1.00000
     97      -5.0027      1.00000
     98      -4.9022      1.00000
     99      -4.9009      1.00000
    100      -4.3199      1.00000
    101      -4.1620      1.00000
    102      -4.0614      1.00000
    103      -3.7731      1.00000
    104      -3.5606      1.00000
    105      -3.3585      1.00000
    106      -3.3484      1.00000
    107      -1.9434      0.00000
    108      -1.5319      0.00000
    109      -1.3411      0.00000
    110      -0.8301      0.00000
    111      -0.7070      0.00000
    112      -0.6614      0.00000
    113      -0.3481      0.00000
    114      -0.3128      0.00000
    115      -0.3024      0.00000
    116      -0.2836      0.00000
    117       0.4532      0.00000
    118       0.5384      0.00000
    119       0.8213      0.00000
    120       1.0778      0.00000
    121       1.1345      0.00000
    122       1.4147      0.00000
    123       1.5055      0.00000
    124       1.5557      0.00000
    125       1.6056      0.00000
    126       1.7072      0.00000
    127       1.8670      0.00000
    128       1.8937      0.00000
    129       1.9457      0.00000
    130       2.0540      0.00000
    131       2.0956      0.00000
    132       2.1968      0.00000
    133       2.3557      0.00000
    134       2.5196      0.00000
    135       2.6273      0.00000
    136       2.6567      0.00000
    137       2.7107      0.00000
    138       2.7583      0.00000
    139       2.9014      0.00000
    140       2.9673      0.00000
    141       3.0319      0.00000
    142       3.1996      0.00000
    143       3.2254      0.00000
    144       3.2556      0.00000
    145       3.3769      0.00000
    146       3.4156      0.00000
    147       3.4715      0.00000
    148       3.5391      0.00000
    149       3.6186      0.00000
    150       3.6450      0.00000
    151       3.6811      0.00000
    152       3.7071      0.00000
    153       3.8249      0.00000
    154       3.8964      0.00000
    155       3.9210      0.00000
    156       3.9379      0.00000
    157       3.9920      0.00000
    158       4.0230      0.00000
    159       4.0985      0.00000
    160       4.1056      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9692      1.00000
      2     -21.6105      1.00000
      3     -21.5614      1.00000
      4     -21.0369      1.00000
      5     -21.0133      1.00000
      6     -20.4915      1.00000
      7     -20.4438      1.00000
      8     -20.2842      1.00000
      9     -19.7354      1.00000
     10     -19.7337      1.00000
     11     -19.3789      1.00000
     12     -19.3572      1.00000
     13     -18.6578      1.00000
     14     -18.6540      1.00000
     15     -18.3030      1.00000
     16     -18.2915      1.00000
     17     -18.1251      1.00000
     18     -17.3547      1.00000
     19     -17.2930      1.00000
     20     -17.2805      1.00000
     21     -17.2540      1.00000
     22     -16.7878      1.00000
     23     -16.7734      1.00000
     24     -16.6265      1.00000
     25     -15.6629      1.00000
     26     -15.6071      1.00000
     27     -15.2524      1.00000
     28     -15.2419      1.00000
     29     -14.9732      1.00000
     30     -14.5293      1.00000
     31     -14.4991      1.00000
     32     -14.2527      1.00000
     33     -14.2129      1.00000
     34     -13.8387      1.00000
     35     -13.8317      1.00000
     36     -12.8129      1.00000
     37     -12.7584      1.00000
     38     -12.7179      1.00000
     39     -12.6940      1.00000
     40     -12.3881      1.00000
     41     -12.3797      1.00000
     42     -12.0062      1.00000
     43     -11.9802      1.00000
     44     -11.4425      1.00000
     45     -11.3054      1.00000
     46     -11.2439      1.00000
     47     -11.1244      1.00000
     48     -10.6056      1.00000
     49     -10.5911      1.00000
     50     -10.3041      1.00000
     51     -10.2913      1.00000
     52     -10.1715      1.00000
     53     -10.1702      1.00000
     54     -10.1122      1.00000
     55     -10.0998      1.00000
     56     -10.0228      1.00000
     57      -9.7105      1.00000
     58      -9.5820      1.00000
     59      -9.2852      1.00000
     60      -9.2280      1.00000
     61      -9.1518      1.00000
     62      -9.0824      1.00000
     63      -9.0658      1.00000
     64      -9.0455      1.00000
     65      -8.9989      1.00000
     66      -8.9680      1.00000
     67      -8.8615      1.00000
     68      -8.8277      1.00000
     69      -8.7832      1.00000
     70      -8.5357      1.00000
     71      -8.5290      1.00000
     72      -8.3977      1.00000
     73      -8.2801      1.00000
     74      -8.1261      1.00000
     75      -7.8828      1.00000
     76      -7.8452      1.00000
     77      -7.6010      1.00000
     78      -7.5352      1.00000
     79      -7.5038      1.00000
     80      -7.4998      1.00000
     81      -7.3869      1.00000
     82      -7.3764      1.00000
     83      -7.1326      1.00000
     84      -7.0768      1.00000
     85      -6.6052      1.00000
     86      -6.5814      1.00000
     87      -6.4817      1.00000
     88      -6.3523      1.00000
     89      -6.1148      1.00000
     90      -6.0519      1.00000
     91      -5.9791      1.00000
     92      -5.8983      1.00000
     93      -5.7322      1.00000
     94      -5.3409      1.00000
     95      -5.1662      1.00000
     96      -5.1262      1.00000
     97      -5.0550      1.00000
     98      -4.9027      1.00000
     99      -4.4514      1.00000
    100      -4.3961      1.00000
    101      -4.1602      1.00000
    102      -4.0372      1.00000
    103      -3.9401      1.00000
    104      -3.5538      1.00000
    105      -3.4899      1.00000
    106      -3.0590      1.00000
    107      -2.1235      0.00000
    108      -1.6022      0.00000
    109      -0.9393      0.00000
    110      -0.9074      0.00000
    111      -0.8422      0.00000
    112      -0.6371      0.00000
    113      -0.6281      0.00000
    114      -0.4966      0.00000
    115      -0.4840      0.00000
    116       0.4893      0.00000
    117       0.4929      0.00000
    118       0.5881      0.00000
    119       0.7905      0.00000
    120       1.0276      0.00000
    121       1.0829      0.00000
    122       1.2918      0.00000
    123       1.3022      0.00000
    124       1.4746      0.00000
    125       1.6348      0.00000
    126       1.7155      0.00000
    127       1.8397      0.00000
    128       2.0118      0.00000
    129       2.0595      0.00000
    130       2.0907      0.00000
    131       2.1691      0.00000
    132       2.3049      0.00000
    133       2.3533      0.00000
    134       2.4526      0.00000
    135       2.5462      0.00000
    136       2.7456      0.00000
    137       2.8041      0.00000
    138       2.8420      0.00000
    139       2.8835      0.00000
    140       2.9052      0.00000
    141       3.0554      0.00000
    142       3.0565      0.00000
    143       3.1277      0.00000
    144       3.1717      0.00000
    145       3.2624      0.00000
    146       3.3023      0.00000
    147       3.3705      0.00000
    148       3.4822      0.00000
    149       3.5838      0.00000
    150       3.6015      0.00000
    151       3.6802      0.00000
    152       3.6984      0.00000
    153       3.8041      0.00000
    154       3.9020      0.00000
    155       3.9600      0.00000
    156       3.9826      0.00000
    157       4.0019      0.00000
    158       4.0978      0.00000
    159       4.1676      0.00000
    160       4.1715      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8532      1.00000
      2     -21.7808      1.00000
      3     -21.6180      1.00000
      4     -21.0633      1.00000
      5     -20.7117      1.00000
      6     -20.6701      1.00000
      7     -20.1635      1.00000
      8     -20.1173      1.00000
      9     -19.9630      1.00000
     10     -19.9331      1.00000
     11     -19.6147      1.00000
     12     -19.5571      1.00000
     13     -18.5434      1.00000
     14     -18.4800      1.00000
     15     -18.0276      1.00000
     16     -17.9629      1.00000
     17     -17.8247      1.00000
     18     -17.7957      1.00000
     19     -17.4988      1.00000
     20     -17.4481      1.00000
     21     -16.9316      1.00000
     22     -16.9014      1.00000
     23     -16.8385      1.00000
     24     -16.7979      1.00000
     25     -15.7652      1.00000
     26     -15.5638      1.00000
     27     -15.5295      1.00000
     28     -15.4973      1.00000
     29     -14.9161      1.00000
     30     -14.2366      1.00000
     31     -14.1908      1.00000
     32     -13.9605      1.00000
     33     -13.6360      1.00000
     34     -13.6256      1.00000
     35     -13.4984      1.00000
     36     -13.4727      1.00000
     37     -13.2962      1.00000
     38     -13.2352      1.00000
     39     -13.0281      1.00000
     40     -12.2922      1.00000
     41     -11.9000      1.00000
     42     -11.8021      1.00000
     43     -11.7522      1.00000
     44     -11.6882      1.00000
     45     -11.3974      1.00000
     46     -11.3265      1.00000
     47     -11.1841      1.00000
     48     -10.8048      1.00000
     49     -10.7884      1.00000
     50     -10.4582      1.00000
     51     -10.4026      1.00000
     52     -10.0298      1.00000
     53      -9.8927      1.00000
     54      -9.8741      1.00000
     55      -9.8357      1.00000
     56      -9.6902      1.00000
     57      -9.6837      1.00000
     58      -9.6473      1.00000
     59      -9.4835      1.00000
     60      -9.4677      1.00000
     61      -9.4427      1.00000
     62      -9.4311      1.00000
     63      -9.1288      1.00000
     64      -9.0363      1.00000
     65      -8.7661      1.00000
     66      -8.7423      1.00000
     67      -8.7039      1.00000
     68      -8.6014      1.00000
     69      -8.5433      1.00000
     70      -8.3975      1.00000
     71      -8.3698      1.00000
     72      -8.2529      1.00000
     73      -8.2134      1.00000
     74      -8.1595      1.00000
     75      -8.1333      1.00000
     76      -8.0411      1.00000
     77      -7.9103      1.00000
     78      -7.7672      1.00000
     79      -7.7049      1.00000
     80      -7.5848      1.00000
     81      -7.4405      1.00000
     82      -7.2890      1.00000
     83      -7.2103      1.00000
     84      -6.6983      1.00000
     85      -6.6103      1.00000
     86      -6.5568      1.00000
     87      -6.4521      1.00000
     88      -6.2420      1.00000
     89      -6.1658      1.00000
     90      -6.1016      1.00000
     91      -5.9063      1.00000
     92      -5.6744      1.00000
     93      -5.5121      1.00000
     94      -5.4706      1.00000
     95      -5.2749      1.00000
     96      -5.1178      1.00000
     97      -4.9393      1.00000
     98      -4.9063      1.00000
     99      -4.9014      1.00000
    100      -4.4890      1.00000
    101      -4.1605      1.00000
    102      -4.0470      1.00000
    103      -3.9272      1.00000
    104      -3.5718      1.00000
    105      -3.5152      1.00000
    106      -2.8579      1.00000
    107      -2.2506      0.00000
    108      -1.6804      0.00000
    109      -0.9102      0.00000
    110      -0.8649      0.00000
    111      -0.8610      0.00000
    112      -0.7835      0.00000
    113      -0.1996      0.00000
    114      -0.1667      0.00000
    115      -0.0196      0.00000
    116       0.0028      0.00000
    117       0.2428      0.00000
    118       0.3237      0.00000
    119       0.7701      0.00000
    120       0.8565      0.00000
    121       0.9371      0.00000
    122       1.0581      0.00000
    123       1.2832      0.00000
    124       1.5165      0.00000
    125       1.5903      0.00000
    126       1.6767      0.00000
    127       1.9582      0.00000
    128       2.0268      0.00000
    129       2.0677      0.00000
    130       2.1251      0.00000
    131       2.3066      0.00000
    132       2.3716      0.00000
    133       2.4826      0.00000
    134       2.5803      0.00000
    135       2.6713      0.00000
    136       2.7606      0.00000
    137       2.9346      0.00000
    138       2.9896      0.00000
    139       3.0359      0.00000
    140       3.0576      0.00000
    141       3.1471      0.00000
    142       3.1648      0.00000
    143       3.1823      0.00000
    144       3.2194      0.00000
    145       3.3323      0.00000
    146       3.3949      0.00000
    147       3.4485      0.00000
    148       3.4693      0.00000
    149       3.4962      0.00000
    150       3.5437      0.00000
    151       3.5784      0.00000
    152       3.6000      0.00000
    153       3.6336      0.00000
    154       3.6962      0.00000
    155       3.7869      0.00000
    156       3.8942      0.00000
    157       3.9483      0.00000
    158       4.0432      0.00000
    159       4.1894      0.00000
    160       4.2037      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9687      1.00000
      2     -21.6166      1.00000
      3     -21.5554      1.00000
      4     -21.0459      1.00000
      5     -21.0043      1.00000
      6     -20.4969      1.00000
      7     -20.4379      1.00000
      8     -20.2832      1.00000
      9     -19.7565      1.00000
     10     -19.7157      1.00000
     11     -19.3851      1.00000
     12     -19.3486      1.00000
     13     -18.6789      1.00000
     14     -18.6352      1.00000
     15     -18.3218      1.00000
     16     -18.2758      1.00000
     17     -18.1240      1.00000
     18     -17.3429      1.00000
     19     -17.2987      1.00000
     20     -17.2725      1.00000
     21     -17.2463      1.00000
     22     -16.8133      1.00000
     23     -16.7577      1.00000
     24     -16.6410      1.00000
     25     -15.6882      1.00000
     26     -15.5784      1.00000
     27     -15.2738      1.00000
     28     -15.2346      1.00000
     29     -14.9413      1.00000
     30     -14.5598      1.00000
     31     -14.4925      1.00000
     32     -14.2472      1.00000
     33     -14.2056      1.00000
     34     -13.8364      1.00000
     35     -13.8253      1.00000
     36     -12.8644      1.00000
     37     -12.7593      1.00000
     38     -12.6985      1.00000
     39     -12.6840      1.00000
     40     -12.4090      1.00000
     41     -12.3607      1.00000
     42     -12.0074      1.00000
     43     -11.9849      1.00000
     44     -11.3775      1.00000
     45     -11.2929      1.00000
     46     -11.2339      1.00000
     47     -11.1806      1.00000
     48     -10.6055      1.00000
     49     -10.5900      1.00000
     50     -10.3395      1.00000
     51     -10.2653      1.00000
     52     -10.2128      1.00000
     53     -10.1690      1.00000
     54     -10.1274      1.00000
     55     -10.0736      1.00000
     56     -10.0218      1.00000
     57      -9.7124      1.00000
     58      -9.5771      1.00000
     59      -9.2889      1.00000
     60      -9.2236      1.00000
     61      -9.1300      1.00000
     62      -9.0984      1.00000
     63      -9.0743      1.00000
     64      -9.0442      1.00000
     65      -9.0059      1.00000
     66      -8.9536      1.00000
     67      -8.8424      1.00000
     68      -8.8001      1.00000
     69      -8.7810      1.00000
     70      -8.5424      1.00000
     71      -8.5327      1.00000
     72      -8.4109      1.00000
     73      -8.2698      1.00000
     74      -8.1546      1.00000
     75      -7.8758      1.00000
     76      -7.8468      1.00000
     77      -7.6335      1.00000
     78      -7.5403      1.00000
     79      -7.5029      1.00000
     80      -7.4523      1.00000
     81      -7.3951      1.00000
     82      -7.3601      1.00000
     83      -7.1625      1.00000
     84      -7.0495      1.00000
     85      -6.6267      1.00000
     86      -6.5866      1.00000
     87      -6.4939      1.00000
     88      -6.3062      1.00000
     89      -6.0973      1.00000
     90      -6.0436      1.00000
     91      -5.9816      1.00000
     92      -5.8758      1.00000
     93      -5.7956      1.00000
     94      -5.4811      1.00000
     95      -5.2692      1.00000
     96      -5.0630      1.00000
     97      -4.9039      1.00000
     98      -4.7697      1.00000
     99      -4.5158      1.00000
    100      -4.4351      1.00000
    101      -4.1740      1.00000
    102      -4.0051      1.00000
    103      -3.8636      1.00000
    104      -3.5957      1.00000
    105      -3.5213      1.00000
    106      -3.1683      1.00000
    107      -1.9278      0.00000
    108      -1.6945      0.00000
    109      -0.9868      0.00000
    110      -0.8968      0.00000
    111      -0.8732      0.00000
    112      -0.6340      0.00000
    113      -0.5809      0.00000
    114      -0.4930      0.00000
    115      -0.4663      0.00000
    116       0.3740      0.00000
    117       0.5306      0.00000
    118       0.5760      0.00000
    119       0.8127      0.00000
    120       1.0913      0.00000
    121       1.0984      0.00000
    122       1.2244      0.00000
    123       1.3542      0.00000
    124       1.4695      0.00000
    125       1.5992      0.00000
    126       1.7396      0.00000
    127       1.8375      0.00000
    128       1.9983      0.00000
    129       2.0671      0.00000
    130       2.0942      0.00000
    131       2.1591      0.00000
    132       2.3458      0.00000
    133       2.3634      0.00000
    134       2.4587      0.00000
    135       2.5057      0.00000
    136       2.7522      0.00000
    137       2.8028      0.00000
    138       2.8421      0.00000
    139       2.8767      0.00000
    140       2.9146      0.00000
    141       3.0368      0.00000
    142       3.0523      0.00000
    143       3.1319      0.00000
    144       3.1701      0.00000
    145       3.2671      0.00000
    146       3.3106      0.00000
    147       3.3809      0.00000
    148       3.4819      0.00000
    149       3.5721      0.00000
    150       3.6110      0.00000
    151       3.6834      0.00000
    152       3.6961      0.00000
    153       3.7996      0.00000
    154       3.9077      0.00000
    155       3.9325      0.00000
    156       3.9884      0.00000
    157       4.0031      0.00000
    158       4.1100      0.00000
    159       4.1345      0.00000
    160       4.1630      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0421      1.00000
      2     -21.4846      1.00000
      3     -21.2968      1.00000
      4     -21.2697      1.00000
      5     -20.9315      1.00000
      6     -20.8967      1.00000
      7     -20.7181      1.00000
      8     -19.8277      1.00000
      9     -19.7908      1.00000
     10     -19.2808      1.00000
     11     -19.2528      1.00000
     12     -19.0764      1.00000
     13     -18.7658      1.00000
     14     -18.7240      1.00000
     15     -18.7065      1.00000
     16     -18.6967      1.00000
     17     -18.0338      1.00000
     18     -18.0124      1.00000
     19     -17.6789      1.00000
     20     -16.7375      1.00000
     21     -16.6912      1.00000
     22     -16.6238      1.00000
     23     -16.6063      1.00000
     24     -16.1606      1.00000
     25     -16.1277      1.00000
     26     -15.2792      1.00000
     27     -15.2614      1.00000
     28     -14.9064      1.00000
     29     -14.8981      1.00000
     30     -14.8738      1.00000
     31     -14.7790      1.00000
     32     -14.7345      1.00000
     33     -14.3740      1.00000
     34     -14.3552      1.00000
     35     -13.4088      1.00000
     36     -13.3830      1.00000
     37     -12.9137      1.00000
     38     -12.3487      1.00000
     39     -12.2486      1.00000
     40     -12.1270      1.00000
     41     -12.1139      1.00000
     42     -11.7813      1.00000
     43     -11.7637      1.00000
     44     -11.3913      1.00000
     45     -11.3624      1.00000
     46     -11.2618      1.00000
     47     -10.9008      1.00000
     48     -10.8956      1.00000
     49     -10.6761      1.00000
     50     -10.6737      1.00000
     51     -10.5983      1.00000
     52     -10.5572      1.00000
     53     -10.1994      1.00000
     54      -9.8750      1.00000
     55      -9.8202      1.00000
     56      -9.7597      1.00000
     57      -9.5683      1.00000
     58      -9.3688      1.00000
     59      -9.3568      1.00000
     60      -9.3251      1.00000
     61      -9.2995      1.00000
     62      -9.2351      1.00000
     63      -9.1989      1.00000
     64      -8.9944      1.00000
     65      -8.9697      1.00000
     66      -8.9206      1.00000
     67      -8.9074      1.00000
     68      -8.8004      1.00000
     69      -8.7892      1.00000
     70      -8.7781      1.00000
     71      -8.6121      1.00000
     72      -8.5442      1.00000
     73      -8.2729      1.00000
     74      -8.2645      1.00000
     75      -7.8174      1.00000
     76      -7.7250      1.00000
     77      -7.5758      1.00000
     78      -7.5001      1.00000
     79      -7.4592      1.00000
     80      -7.4204      1.00000
     81      -7.1396      1.00000
     82      -6.9911      1.00000
     83      -6.9686      1.00000
     84      -6.9391      1.00000
     85      -6.8824      1.00000
     86      -6.6811      1.00000
     87      -6.5609      1.00000
     88      -6.4403      1.00000
     89      -6.3909      1.00000
     90      -6.3072      1.00000
     91      -5.8648      1.00000
     92      -5.7919      1.00000
     93      -5.7696      1.00000
     94      -5.6549      1.00000
     95      -5.5964      1.00000
     96      -5.0448      1.00000
     97      -4.6206      1.00000
     98      -4.5250      1.00000
     99      -4.3634      1.00000
    100      -4.2396      1.00000
    101      -4.1835      1.00000
    102      -3.8330      1.00000
    103      -3.8016      1.00000
    104      -3.7315      1.00000
    105      -3.4525      1.00000
    106      -3.4224      1.00000
    107      -1.8110      0.00000
    108      -1.4355      0.00000
    109      -1.3860      0.00000
    110      -1.0269      0.00000
    111      -1.0026      0.00000
    112      -0.9784      0.00000
    113      -0.8551      0.00000
    114      -0.2673      0.00000
    115       0.0422      0.00000
    116       0.0722      0.00000
    117       0.7422      0.00000
    118       0.9081      0.00000
    119       0.9324      0.00000
    120       1.2034      0.00000
    121       1.2649      0.00000
    122       1.3547      0.00000
    123       1.4305      0.00000
    124       1.4727      0.00000
    125       1.5468      0.00000
    126       1.6849      0.00000
    127       1.7633      0.00000
    128       1.9608      0.00000
    129       1.9788      0.00000
    130       2.1660      0.00000
    131       2.1998      0.00000
    132       2.2321      0.00000
    133       2.3316      0.00000
    134       2.3850      0.00000
    135       2.4217      0.00000
    136       2.5428      0.00000
    137       2.7128      0.00000
    138       2.7412      0.00000
    139       2.7818      0.00000
    140       2.8142      0.00000
    141       2.8744      0.00000
    142       3.0455      0.00000
    143       3.1293      0.00000
    144       3.1483      0.00000
    145       3.1694      0.00000
    146       3.2182      0.00000
    147       3.2314      0.00000
    148       3.4205      0.00000
    149       3.4229      0.00000
    150       3.4981      0.00000
    151       3.6033      0.00000
    152       3.6071      0.00000
    153       3.7872      0.00000
    154       3.8571      0.00000
    155       3.9232      0.00000
    156       4.0020      0.00000
    157       4.1340      0.00000
    158       4.1582      0.00000
    159       4.2072      0.00000
    160       4.3159      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8493      1.00000
      2     -21.7866      1.00000
      3     -21.6161      1.00000
      4     -21.0638      1.00000
      5     -20.7022      1.00000
      6     -20.6794      1.00000
      7     -20.1537      1.00000
      8     -20.1278      1.00000
      9     -19.9481      1.00000
     10     -19.9473      1.00000
     11     -19.6084      1.00000
     12     -19.5636      1.00000
     13     -18.5438      1.00000
     14     -18.4872      1.00000
     15     -17.9968      1.00000
     16     -17.9821      1.00000
     17     -17.8151      1.00000
     18     -17.8094      1.00000
     19     -17.4782      1.00000
     20     -17.4634      1.00000
     21     -16.9358      1.00000
     22     -16.9082      1.00000
     23     -16.8226      1.00000
     24     -16.8034      1.00000
     25     -15.7940      1.00000
     26     -15.5341      1.00000
     27     -15.5322      1.00000
     28     -15.5161      1.00000
     29     -14.8930      1.00000
     30     -14.2228      1.00000
     31     -14.2021      1.00000
     32     -13.9385      1.00000
     33     -13.6697      1.00000
     34     -13.6289      1.00000
     35     -13.4971      1.00000
     36     -13.4824      1.00000
     37     -13.2727      1.00000
     38     -13.2448      1.00000
     39     -13.0321      1.00000
     40     -12.3177      1.00000
     41     -11.8415      1.00000
     42     -11.8276      1.00000
     43     -11.7230      1.00000
     44     -11.6877      1.00000
     45     -11.4149      1.00000
     46     -11.3430      1.00000
     47     -11.1751      1.00000
     48     -10.8060      1.00000
     49     -10.7965      1.00000
     50     -10.4585      1.00000
     51     -10.4033      1.00000
     52     -10.0392      1.00000
     53      -9.8794      1.00000
     54      -9.8700      1.00000
     55      -9.8507      1.00000
     56      -9.7022      1.00000
     57      -9.6641      1.00000
     58      -9.6477      1.00000
     59      -9.4951      1.00000
     60      -9.4674      1.00000
     61      -9.4449      1.00000
     62      -9.4337      1.00000
     63      -9.1299      1.00000
     64      -9.0332      1.00000
     65      -8.7667      1.00000
     66      -8.7312      1.00000
     67      -8.6733      1.00000
     68      -8.6310      1.00000
     69      -8.5357      1.00000
     70      -8.3818      1.00000
     71      -8.3735      1.00000
     72      -8.2423      1.00000
     73      -8.2217      1.00000
     74      -8.1343      1.00000
     75      -8.1343      1.00000
     76      -8.0100      1.00000
     77      -7.9746      1.00000
     78      -7.7677      1.00000
     79      -7.7294      1.00000
     80      -7.6251      1.00000
     81      -7.3740      1.00000
     82      -7.2947      1.00000
     83      -7.1863      1.00000
     84      -6.7398      1.00000
     85      -6.6329      1.00000
     86      -6.5624      1.00000
     87      -6.3091      1.00000
     88      -6.2304      1.00000
     89      -6.1673      1.00000
     90      -6.1360      1.00000
     91      -6.0571      1.00000
     92      -5.6747      1.00000
     93      -5.4878      1.00000
     94      -5.4527      1.00000
     95      -5.2998      1.00000
     96      -5.0921      1.00000
     97      -4.9195      1.00000
     98      -4.9106      1.00000
     99      -4.8772      1.00000
    100      -4.4596      1.00000
    101      -4.1502      1.00000
    102      -4.0227      1.00000
    103      -3.9546      1.00000
    104      -3.5846      1.00000
    105      -3.5332      1.00000
    106      -2.9598      1.00000
    107      -2.1050      0.00000
    108      -1.7299      0.00000
    109      -0.8669      0.00000
    110      -0.8644      0.00000
    111      -0.8572      0.00000
    112      -0.8324      0.00000
    113      -0.1877      0.00000
    114      -0.1724      0.00000
    115      -0.0399      0.00000
    116      -0.0168      0.00000
    117       0.2953      0.00000
    118       0.3020      0.00000
    119       0.7487      0.00000
    120       0.8491      0.00000
    121       0.9897      0.00000
    122       1.0299      0.00000
    123       1.2444      0.00000
    124       1.5713      0.00000
    125       1.5770      0.00000
    126       1.6553      0.00000
    127       1.9645      0.00000
    128       2.0326      0.00000
    129       2.0661      0.00000
    130       2.1345      0.00000
    131       2.3048      0.00000
    132       2.3719      0.00000
    133       2.5390      0.00000
    134       2.5548      0.00000
    135       2.6552      0.00000
    136       2.8274      0.00000
    137       2.9287      0.00000
    138       2.9596      0.00000
    139       3.0266      0.00000
    140       3.0579      0.00000
    141       3.1199      0.00000
    142       3.1618      0.00000
    143       3.1980      0.00000
    144       3.2143      0.00000
    145       3.3351      0.00000
    146       3.3885      0.00000
    147       3.4334      0.00000
    148       3.4717      0.00000
    149       3.5052      0.00000
    150       3.5427      0.00000
    151       3.5613      0.00000
    152       3.5813      0.00000
    153       3.6322      0.00000
    154       3.6831      0.00000
    155       3.8040      0.00000
    156       3.9151      0.00000
    157       3.9479      0.00000
    158       4.0426      0.00000
    159       4.1774      0.00000
    160       4.1973      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9327      1.00000
      2     -21.7375      1.00000
      3     -21.3740      1.00000
      4     -21.3445      1.00000
      5     -20.6369      1.00000
      6     -20.5999      1.00000
      7     -20.2669      1.00000
      8     -20.2389      1.00000
      9     -20.2306      1.00000
     10     -19.6946      1.00000
     11     -19.1731      1.00000
     12     -19.1446      1.00000
     13     -18.9778      1.00000
     14     -18.9631      1.00000
     15     -18.1081      1.00000
     16     -18.0731      1.00000
     17     -17.5990      1.00000
     18     -17.5746      1.00000
     19     -17.4241      1.00000
     20     -17.3872      1.00000
     21     -17.1129      1.00000
     22     -17.0908      1.00000
     23     -17.0011      1.00000
     24     -16.1592      1.00000
     25     -16.1232      1.00000
     26     -15.6404      1.00000
     27     -15.0827      1.00000
     28     -15.0641      1.00000
     29     -14.7718      1.00000
     30     -14.7497      1.00000
     31     -14.5123      1.00000
     32     -14.5055      1.00000
     33     -13.9890      1.00000
     34     -13.9213      1.00000
     35     -13.1476      1.00000
     36     -13.0683      1.00000
     37     -12.8578      1.00000
     38     -12.8332      1.00000
     39     -12.6610      1.00000
     40     -12.6391      1.00000
     41     -12.2925      1.00000
     42     -12.2698      1.00000
     43     -11.8830      1.00000
     44     -11.2728      1.00000
     45     -11.2502      1.00000
     46     -11.1803      1.00000
     47     -10.9827      1.00000
     48     -10.9404      1.00000
     49     -10.8091      1.00000
     50     -10.3769      1.00000
     51     -10.3361      1.00000
     52     -10.0937      1.00000
     53      -9.9843      1.00000
     54      -9.9840      1.00000
     55      -9.8561      1.00000
     56      -9.7971      1.00000
     57      -9.7640      1.00000
     58      -9.4808      1.00000
     59      -9.4203      1.00000
     60      -9.3898      1.00000
     61      -9.3755      1.00000
     62      -9.3676      1.00000
     63      -9.3199      1.00000
     64      -9.0360      1.00000
     65      -9.0204      1.00000
     66      -8.9902      1.00000
     67      -8.6545      1.00000
     68      -8.6351      1.00000
     69      -8.5808      1.00000
     70      -8.4579      1.00000
     71      -8.2633      1.00000
     72      -8.1970      1.00000
     73      -8.0972      1.00000
     74      -8.0596      1.00000
     75      -7.9729      1.00000
     76      -7.9678      1.00000
     77      -7.9325      1.00000
     78      -7.9131      1.00000
     79      -7.9025      1.00000
     80      -7.4899      1.00000
     81      -7.2153      1.00000
     82      -7.0245      1.00000
     83      -6.9403      1.00000
     84      -6.8758      1.00000
     85      -6.8233      1.00000
     86      -6.6740      1.00000
     87      -6.6342      1.00000
     88      -6.2888      1.00000
     89      -6.2627      1.00000
     90      -6.1414      1.00000
     91      -5.9488      1.00000
     92      -5.6321      1.00000
     93      -5.5178      1.00000
     94      -5.3931      1.00000
     95      -5.3192      1.00000
     96      -5.0079      1.00000
     97      -4.9733      1.00000
     98      -4.9074      1.00000
     99      -4.8800      1.00000
    100      -4.2456      1.00000
    101      -4.1672      1.00000
    102      -3.9699      1.00000
    103      -3.7940      1.00000
    104      -3.6111      1.00000
    105      -3.5040      1.00000
    106      -3.3599      1.00000
    107      -1.7463      0.00000
    108      -1.5223      0.00000
    109      -1.4825      0.00000
    110      -0.7654      0.00000
    111      -0.7149      0.00000
    112      -0.7001      0.00000
    113      -0.3516      0.00000
    114      -0.3430      0.00000
    115      -0.2941      0.00000
    116      -0.2782      0.00000
    117       0.4674      0.00000
    118       0.5382      0.00000
    119       0.8219      0.00000
    120       1.0680      0.00000
    121       1.1240      0.00000
    122       1.3334      0.00000
    123       1.5342      0.00000
    124       1.5451      0.00000
    125       1.6288      0.00000
    126       1.7248      0.00000
    127       1.8633      0.00000
    128       1.9034      0.00000
    129       1.9506      0.00000
    130       2.0293      0.00000
    131       2.1507      0.00000
    132       2.2685      0.00000
    133       2.3572      0.00000
    134       2.5029      0.00000
    135       2.6278      0.00000
    136       2.6584      0.00000
    137       2.6939      0.00000
    138       2.7614      0.00000
    139       2.8970      0.00000
    140       2.9384      0.00000
    141       3.0320      0.00000
    142       3.1994      0.00000
    143       3.2244      0.00000
    144       3.2542      0.00000
    145       3.3674      0.00000
    146       3.4022      0.00000
    147       3.4721      0.00000
    148       3.5695      0.00000
    149       3.6373      0.00000
    150       3.6377      0.00000
    151       3.6643      0.00000
    152       3.7105      0.00000
    153       3.8255      0.00000
    154       3.8656      0.00000
    155       3.9197      0.00000
    156       3.9211      0.00000
    157       4.0005      0.00000
    158       4.0414      0.00000
    159       4.0886      0.00000
    160       4.0900      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8851   -7.1176    4.1304   -1.3434   -0.2918   17.9337   -0.2857   -0.0282    0.1586   -0.1180
x    -3.2529   -0.0116   -0.0004   -0.0470    0.1022   -3.0477    0.0185   -0.0217    0.0097    0.0027
x    -0.0997    0.0018   -0.0004   -0.0003    0.0005   -0.0235   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8851    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0008    0.0009    0.0036   -0.0998   -0.0414    0.0831    0.0203
y     0.0043   -3.2707   -0.0619    0.2283   -2.3988   -0.6401
z   203.8851    1.5037    0.2848    0.1082    0.0443    0.0805   -0.0027   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0857    0.0043   -0.0014    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4401
z    -0.4209    0.1512    0.0490    0.1381   -0.0842    0.0003
 total charge-density along one line
x   212.0000  -10.0911    6.1815   -2.2002   -0.5432   19.9221   -1.5335    1.0928   -0.6229    0.2968
x    -2.8496    0.0060    0.0200   -0.0537    0.0874   -2.3194    0.0254   -0.0279    0.0131    0.0038
x    -0.0939    0.0073   -0.0047    0.0021   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
x    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
x    -0.0004    0.0000    0.0000    0.0000    0.0001   -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  -10.0911    6.1815   -2.2002   -0.5432   19.9221   -1.5335    1.0928   -0.6229    0.2968
y    -2.8496    0.0060    0.0200   -0.0537    0.0874   -2.3194    0.0254   -0.0279    0.0131    0.0038
y    -0.0939    0.0073   -0.0047    0.0021   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
y    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
y    -0.0004    0.0000    0.0000    0.0000    0.0001   -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 -205.1436  189.0914 -171.5198  155.1535 -138.8710  122.8235 -108.2096   94.3348  -79.5380
z    64.1571  -50.3300   39.4073  -31.0624   24.4968  -19.2612   15.0132  -11.4042    8.3558   -5.9894
z     4.2473   -2.8860    1.7963   -1.0375    0.5724   -0.2213   -0.1036    0.3230   -0.3880    0.3907
z    -0.4247    0.4632   -0.4412    0.3706   -0.3099    0.2765   -0.2462    0.2081   -0.1731    0.1455
z    -0.1198    0.0962   -0.0795    0.0674   -0.0548    0.0433   -0.0368    0.0331   -0.0276    0.0212
z    -0.0175    0.0163   -0.0143    0.0109   -0.0082    0.0069   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.051   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.975   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.051   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.975   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.040   0.000  -0.002   0.091   0.000  -0.024   0.000  -0.007   0.065  -0.013   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.091   0.000   0.000   0.237   0.000  -0.070   0.000   0.000   0.000   0.015   0.000   0.019   0.023
  0.040   0.000   1.720   0.000  -0.020  -0.013   0.000   0.404   0.000   0.006  -0.313   0.024   0.000  -0.025   0.000   0.000
  0.000   0.091   0.000   1.776   0.000   0.000  -0.070   0.000   0.314   0.000   0.000   0.000   0.019   0.000  -0.003  -0.001
 -0.002   0.000  -0.020   0.000   1.950  -0.007   0.000   0.012   0.000   0.080  -0.057   0.006   0.000  -0.007   0.000   0.000
  0.091   0.000  -0.013   0.000  -0.007   0.031   0.000  -0.038   0.000   0.005  -0.066   0.027   0.000   0.026   0.000   0.000
  0.000   0.237   0.000  -0.070   0.000   0.000   0.147   0.000  -0.077   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.404   0.000   0.012  -0.038   0.000   0.672   0.000   0.023   0.517  -0.355   0.000  -0.103   0.000   0.000
  0.000  -0.070   0.000   0.314   0.000   0.000  -0.077   0.000   0.236   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.007   0.000   0.006   0.000   0.080   0.005   0.000   0.023   0.000   0.037   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.065   0.000  -0.313   0.000  -0.057  -0.066   0.000   0.517   0.000   0.043   0.874  -0.391   0.000  -0.154   0.000   0.000
 -0.013   0.000   0.024   0.000   0.006   0.027   0.000  -0.355   0.000  -0.016  -0.391   0.272   0.000   0.080   0.000   0.000
  0.000   0.015   0.000   0.019   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.025   0.000  -0.007   0.026   0.000  -0.103   0.000  -0.015  -0.154   0.080   0.000   0.171   0.000   0.000
  0.000   0.019   0.000  -0.003   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.028   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.024   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.428   0.164   8.205   8.798
  2        0.629   0.031   0.000   0.660
  3        0.545   0.027   0.000   0.572
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.645
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.786   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.636
 17        0.850   1.758   0.000   2.608
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.647
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.772   0.000   2.636
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.786   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.645
------------------------------------------------
tot       44.744  89.257   8.205 142.206
 


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


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


    CHARGE:  VPU time   89.64: CPU time   45.16
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  362.64: CPU time  181.61
    STRESS:  VPU time 1091.48: CPU time  548.47
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.96: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force =-0.1062526E-04[-0.112E-04,-0.100E-04]  d Energy =-0.9865375E-05-0.760E-06
 d Force =-0.1115076E+00[-0.112E+00,-0.112E+00]  d Ewald  =-0.2218772E+00 0.110E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.339116 eV

  energy  without entropy=     -470.339116  energy(sigma->0) =     -470.339116
 

  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    40608.36  40581.62 -47253.55    -23.16      0.00      0.00
  Hartree  40134.26  40121.69 -39363.51    -10.89      0.00      0.00
  E(xc)     -779.87   -779.98   -806.99     -0.09      0.00      0.00
  Local   -83031.02 -82995.52  83945.49     30.75      0.00      0.00
  n-local   -223.85   -221.84   -215.69      0.98      0.00      0.00
  augment     21.43     21.93     18.85      0.43      0.00      0.00
  Kinetic   3172.57   3181.75   3581.10     -0.16      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.35     -0.26     -0.35      0.07      0.00      0.00
  in kB       -0.21     -0.16     -0.21      0.04      0.00      0.00
  external pressure =       -0.19 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.351903098  0.001101503  0.000000000     0.080955017  0.046729844  0.000000000
    -6.175004264 10.697608532  0.000000000    -0.000008336  0.093474025  0.000000000
     0.000000000  0.000000000 19.963745975     0.000000000  0.000000000  0.050090800

  length of vectors
    12.351903147 12.351902929 19.963745975     0.093474024  0.093474025  0.050090800


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.707E-05 -.446E-04 -.104E+04   0.578E-05 -.294E-04 0.104E+04   0.299E-20 0.529E-22 0.324E+01   -.748E-08 0.643E-08 0.243E-02
   -.235E-06 -.792E-05 -.108E+03   -.713E-07 -.948E-06 0.104E+03   -.714E-22 0.910E-23 0.348E+01   0.244E-09 -.249E-09 0.172E-03
   -.143E-06 -.662E-05 -.114E+03   -.710E-07 -.597E-06 0.118E+03   0.133E-21 0.529E-22 -.460E+01   0.793E-09 -.504E-09 0.741E-04
   -.184E+01 0.106E+01 0.219E+02   0.185E+01 -.107E+01 -.219E+02   -.165E-02 0.950E-03 0.194E-01   -.154E-02 0.887E-03 -.460E-04
   0.561E+01 0.668E+01 0.247E+02   -.560E+01 -.670E+01 -.247E+02   -.268E-02 0.185E-01 -.254E-02   -.161E-02 0.112E-02 -.118E-04
   0.109E+02 0.540E+01 0.207E+02   -.109E+02 -.541E+01 -.207E+02   0.421E-02 0.175E-01 -.519E-01   -.114E-02 0.589E-03 -.161E-04
   0.438E+01 -.120E+01 0.189E+02   -.440E+01 0.122E+01 -.189E+02   0.163E-01 -.193E-01 0.280E-01   -.107E-02 0.582E-03 -.829E-04
   -.270E+01 -.253E+01 0.176E+02   0.271E+01 0.254E+01 -.176E+02   -.981E-02 -.131E-01 0.248E-01   -.148E-02 0.771E-03 -.181E-03
   0.840E+00 0.360E+01 0.176E+02   -.844E+00 -.362E+01 -.176E+02   0.648E-02 0.151E-01 0.248E-01   -.141E-02 0.892E-03 -.186E-03
   0.301E+01 0.180E+02 0.284E+02   -.302E+01 -.180E+02 -.285E+02   0.115E-01 0.511E-01 0.323E-01   -.149E-02 0.446E-03 -.170E-04
   0.209E+02 0.235E+02 0.401E+02   -.209E+02 -.237E+02 -.399E+02   0.442E-01 0.189E+00 -.103E+00   -.820E-03 0.852E-03 0.556E-03
   0.269E+02 -.515E+01 0.256E+02   -.271E+02 0.525E+01 -.256E+02   0.205E+00 -.106E+00 0.595E-01   -.150E-02 0.111E-02 -.156E-03
   0.934E+01 -.539E+01 0.164E+02   -.932E+01 0.538E+01 -.164E+02   -.902E-02 0.521E-02 0.390E-01   -.185E-02 0.106E-02 -.353E-03
   0.323E+01 -.319E+01 0.189E+02   -.326E+01 0.320E+01 -.189E+02   0.249E-01 -.445E-02 0.280E-01   -.104E-02 0.632E-03 -.932E-04
   -.593E+01 0.130E+02 0.220E+02   0.592E+01 -.130E+02 -.220E+02   0.105E-01 0.537E-01 0.282E-01   -.114E-02 0.892E-03 0.435E-04
   -.126E+02 0.346E+02 0.386E+02   0.125E+02 -.351E+02 -.391E+02   0.188E-01 0.499E+00 0.534E+00   -.191E-02 0.796E-03 0.243E-03
   0.335E+02 -.194E+02 0.478E+02   -.347E+02 0.201E+02 -.504E+02   0.123E+01 -.709E+00 0.262E+01   -.881E-03 0.506E-03 -.211E-02
   0.179E+02 -.207E+02 0.256E+02   -.181E+02 0.208E+02 -.256E+02   0.194E+00 -.125E+00 0.595E-01   -.172E-02 0.734E-03 -.162E-03
   0.767E+00 -.121E+02 0.207E+02   -.755E+00 0.121E+02 -.207E+02   -.131E-01 -.124E-01 -.519E-01   -.108E-02 0.692E-03 -.228E-04
   -.385E+01 0.134E+01 0.160E+02   0.386E+01 -.135E+01 -.160E+02   -.917E-02 0.499E-02 -.397E-01   -.126E-02 0.967E-03 -.195E-03
   -.177E+02 0.102E+02 0.190E+02   0.178E+02 -.103E+02 -.188E+02   -.319E-01 0.184E-01 -.155E+00   -.213E-02 0.123E-02 -.533E-03
   -.362E+02 -.644E+01 0.386E+02   0.367E+02 0.670E+01 -.391E+02   -.423E+00 -.266E+00 0.534E+00   -.164E-02 0.125E-02 0.247E-03
   -.990E+01 -.298E+02 0.401E+02   0.101E+02 0.300E+02 -.399E+02   -.141E+00 -.133E+00 -.103E+00   -.114E-02 0.280E-03 0.553E-03
   -.298E+01 -.819E+01 0.247E+02   0.300E+01 0.820E+01 -.247E+02   -.174E-01 -.693E-02 -.254E-02   -.177E-02 0.838E-03 -.127E-04
   0.990E+00 -.571E+00 0.178E+02   -.983E+00 0.567E+00 -.178E+02   -.396E-02 0.228E-02 -.307E-01   -.131E-02 0.760E-03 -.162E-03
   -.309E+01 0.267E+01 0.160E+02   0.310E+01 -.267E+01 -.160E+02   -.891E-02 0.545E-02 -.397E-01   -.147E-02 0.613E-03 -.190E-03
   -.142E+02 -.135E+01 0.220E+02   0.142E+02 0.138E+01 -.220E+02   -.413E-01 -.360E-01 0.282E-01   -.134E-02 0.539E-03 0.530E-04
   -.141E+02 -.116E+02 0.284E+02   0.141E+02 0.116E+02 -.285E+02   -.385E-01 -.355E-01 0.323E-01   -.113E-02 0.107E-02 -.134E-04
   0.298E+01 0.819E+01 0.247E+02   -.300E+01 -.820E+01 -.247E+02   0.174E-01 0.693E-02 -.254E-02   0.177E-02 -.838E-03 -.127E-04
   0.141E+02 0.116E+02 0.284E+02   -.141E+02 -.116E+02 -.285E+02   0.385E-01 0.355E-01 0.323E-01   0.113E-02 -.107E-02 -.134E-04
   0.142E+02 0.135E+01 0.220E+02   -.142E+02 -.138E+01 -.220E+02   0.413E-01 0.360E-01 0.282E-01   0.134E-02 -.539E-03 0.530E-04
   0.309E+01 -.267E+01 0.160E+02   -.310E+01 0.267E+01 -.160E+02   0.891E-02 -.545E-02 -.397E-01   0.147E-02 -.613E-03 -.190E-03
   -.990E+00 0.571E+00 0.178E+02   0.983E+00 -.567E+00 -.178E+02   0.396E-02 -.228E-02 -.307E-01   0.131E-02 -.760E-03 -.162E-03
   -.767E+00 0.121E+02 0.207E+02   0.755E+00 -.121E+02 -.207E+02   0.131E-01 0.124E-01 -.519E-01   0.108E-02 -.692E-03 -.228E-04
   0.990E+01 0.298E+02 0.401E+02   -.101E+02 -.300E+02 -.399E+02   0.141E+00 0.133E+00 -.103E+00   0.114E-02 -.280E-03 0.553E-03
   0.362E+02 0.644E+01 0.386E+02   -.367E+02 -.670E+01 -.391E+02   0.423E+00 0.266E+00 0.534E+00   0.164E-02 -.125E-02 0.247E-03
   0.177E+02 -.102E+02 0.190E+02   -.178E+02 0.103E+02 -.188E+02   0.319E-01 -.184E-01 -.155E+00   0.213E-02 -.123E-02 -.533E-03
   0.385E+01 -.134E+01 0.160E+02   -.386E+01 0.135E+01 -.160E+02   0.917E-02 -.499E-02 -.397E-01   0.126E-02 -.967E-03 -.195E-03
   -.323E+01 0.319E+01 0.189E+02   0.326E+01 -.320E+01 -.189E+02   -.249E-01 0.445E-02 0.280E-01   0.104E-02 -.632E-03 -.932E-04
   -.179E+02 0.207E+02 0.256E+02   0.181E+02 -.208E+02 -.256E+02   -.194E+00 0.125E+00 0.595E-01   0.172E-02 -.734E-03 -.162E-03
   -.335E+02 0.194E+02 0.478E+02   0.347E+02 -.201E+02 -.504E+02   -.123E+01 0.709E+00 0.262E+01   0.881E-03 -.506E-03 -.211E-02
   0.125E+02 -.346E+02 0.386E+02   -.125E+02 0.351E+02 -.391E+02   -.188E-01 -.499E+00 0.534E+00   0.191E-02 -.796E-03 0.243E-03
   0.593E+01 -.130E+02 0.220E+02   -.592E+01 0.130E+02 -.220E+02   -.105E-01 -.537E-01 0.282E-01   0.114E-02 -.892E-03 0.435E-04
   -.840E+00 -.360E+01 0.176E+02   0.844E+00 0.362E+01 -.176E+02   -.648E-02 -.151E-01 0.248E-01   0.141E-02 -.892E-03 -.186E-03
   -.934E+01 0.539E+01 0.164E+02   0.932E+01 -.538E+01 -.164E+02   0.902E-02 -.521E-02 0.390E-01   0.185E-02 -.106E-02 -.353E-03
   -.269E+02 0.515E+01 0.256E+02   0.271E+02 -.525E+01 -.256E+02   -.205E+00 0.106E+00 0.595E-01   0.150E-02 -.111E-02 -.156E-03
   -.209E+02 -.235E+02 0.401E+02   0.209E+02 0.237E+02 -.399E+02   -.442E-01 -.189E+00 -.103E+00   0.820E-03 -.852E-03 0.556E-03
   -.301E+01 -.180E+02 0.284E+02   0.302E+01 0.180E+02 -.285E+02   -.115E-01 -.511E-01 0.323E-01   0.149E-02 -.446E-03 -.170E-04
   0.184E+01 -.106E+01 0.219E+02   -.185E+01 0.107E+01 -.219E+02   0.165E-02 -.950E-03 0.194E-01   0.154E-02 -.887E-03 -.460E-04
   0.270E+01 0.253E+01 0.176E+02   -.271E+01 -.254E+01 -.176E+02   0.981E-02 0.131E-01 0.248E-01   0.148E-02 -.771E-03 -.181E-03
   -.438E+01 0.120E+01 0.189E+02   0.440E+01 -.122E+01 -.189E+02   -.163E-01 0.193E-01 0.280E-01   0.107E-02 -.582E-03 -.829E-04
   -.109E+02 -.540E+01 0.207E+02   0.109E+02 0.541E+01 -.207E+02   -.421E-02 -.175E-01 -.519E-01   0.114E-02 -.589E-03 -.161E-04
   -.561E+01 -.668E+01 0.247E+02   0.560E+01 0.670E+01 -.247E+02   0.268E-02 -.185E-01 -.254E-02   0.161E-02 -.112E-02 -.118E-04
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.296E-03 -.913E+01   -.275E-13 -.103E-12 0.256E-12   -.245E-15 0.201E-15 0.914E+01   0.187E-07 -.872E-08 -.302E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85332      6.06246     12.23070         0.000000      0.000000      0.023048
      1.85332      6.06246     14.01234         0.000000      0.000000     -0.008383
      1.85332      6.06246     14.78236         0.000000      0.000000     -0.009523
      0.00061     -0.00035      9.91677         0.003913     -0.002259     -0.002702
     11.11622      2.13965      9.92038         0.002928     -0.005968     -0.003517
      9.87963      4.27965      9.94498        -0.001351      0.002449     -0.000177
      8.64582      6.41964      9.94491        -0.001260      0.002782     -0.000988
     -4.93781      8.55820      9.93563        -0.000116     -0.000921     -0.003710
     -3.70362     10.69587      9.93563         0.000740      0.000561     -0.003710
      1.23531      2.13732      9.94364         0.002647      0.003193     -0.002575
     -0.00499      4.27723      9.99736        -0.001807     -0.006379      0.005186
     -1.24129      6.41698     10.00666         0.005069     -0.003208      0.006350
     -2.46769      8.55719      9.95975         0.003872     -0.002235     -0.004339
      4.94024      0.00138      9.94491        -0.003039     -0.000300     -0.000988
      3.70633      2.13519      9.95883        -0.001669      0.003930      0.002787
      2.47307      4.25679     10.07626         0.003992     -0.000022      0.013271
      1.22000      6.42811     10.22522         0.006035     -0.003484     -0.012598
     -0.00101      8.56521     10.00666         0.005313     -0.002786      0.006350
      7.41043      0.00288      9.94498        -0.002796     -0.000054     -0.000177
      6.17555      2.14025      9.94659         0.000320     -0.003637     -0.002521
      4.94285      4.27871      9.99718         0.004743     -0.002738     -0.006250
      3.72695      6.42857     10.07626         0.002015     -0.003446      0.013271
      2.47021      8.56441      9.99736         0.004621      0.004754      0.005186
      9.88203      0.00196      9.92038         0.006632      0.000448     -0.003517
      8.64552      2.14098      9.92772         0.001565     -0.000903     -0.004894
      7.41117      4.28040      9.94659         0.003310      0.001541     -0.002521
      6.18093      6.42134      9.95883        -0.004238     -0.000519      0.002787
      4.94358      8.56024      9.94364        -0.001442     -0.003889     -0.002575
     -0.00038      1.42535      9.92038        -0.006632     -0.000448     -0.003517
     -1.23694      3.56467      9.94364         0.001442      0.003889     -0.002575
     -2.47429      5.70357      9.95883         0.004238      0.000519      0.002787
     -3.70452      7.84451      9.94659        -0.003310     -0.001541     -0.002521
     -4.93887      9.98393      9.92772        -0.001565      0.000903     -0.004894
      2.47122      1.42442      9.94498         0.002796      0.000054     -0.000177
      1.23643      3.56050      9.99736        -0.004621     -0.004754      0.005186
     -0.02030      5.69634     10.07626        -0.002015      0.003446      0.013271
     -1.23621      7.84620      9.99718        -0.004743      0.002738     -0.006250
     -2.46891      9.98466      9.94659        -0.000320      0.003637     -0.002521
      4.94140      1.42592      9.94491         0.003039      0.000300     -0.000988
      3.70765      3.55970     10.00666        -0.005313      0.002786      0.006350
      2.48665      5.69680     10.22522        -0.006035      0.003484     -0.012598
      1.23357      7.86812     10.07626        -0.003992      0.000022      0.013271
      0.00032      9.98972      9.95883         0.001669     -0.003930      0.002787
      7.41027      1.42904      9.93563        -0.000740     -0.000561     -0.003710
      6.17433      3.56772      9.95975        -0.003872      0.002235     -0.004339
      4.94793      5.70794     10.00666        -0.005069      0.003208      0.006350
      3.71163      7.84768      9.99736         0.001807      0.006379      0.005186
      2.47133      9.98759      9.94364        -0.002647     -0.003193     -0.002575
      9.88104      1.42765      9.91677        -0.003913      0.002259     -0.002702
      8.64445      3.56671      9.93563         0.000116      0.000921     -0.003710
      7.41272      5.70637      9.94491         0.001260     -0.002782     -0.000988
      6.17892      7.84636      9.94498         0.001351     -0.002449     -0.000177
      4.94232      9.98637      9.92038        -0.002928      0.005968     -0.003517
 -----------------------------------------------------------------------------------
    total drift:                               -0.001811      0.000296      0.003231


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




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


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  149.93: CPU time   75.02
     LOOP+:  VPU time 4336.90: CPU time 2217.60


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


    POTLOK:  VPU time    7.76: CPU time    7.76
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1125.16: CPU time  574.51
 BZINTS: Fermi energy: -2.844461;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.77: CPU time   45.16
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1223.15: CPU time  627.86

 eigenvalue-minimisations  :  4136
 total energy-change (2. order) :-0.4703391E+03  (-0.3767049E-05)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1148973 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.25699E-03    rms(broyden)= 0.25694E-03
  rms(prec ) = 0.27164E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33936.38648826
  -1/2 Hartree   DENC   =    -40892.31884377
  -V(xc)+E(xc)   XCENC  =       726.68361363
  PAW double counting   =      4080.35618682    -4117.01659656
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.86981888
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33911691 eV

  energy without entropy =     -470.33911691  energy(sigma->0) =     -470.33911691


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




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


    POTLOK:  VPU time    7.76: CPU time    7.76
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1103.45: CPU time  563.55
 BZINTS: Fermi energy: -2.844296;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1111.55: CPU time  571.62

 eigenvalue-minimisations  :  4016
 total energy-change (2. order) :-0.4515696E-06  (-0.5110045E-06)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1148973 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33936.38648826
  -1/2 Hartree   DENC   =    -40892.31781399
  -V(xc)+E(xc)   XCENC  =       726.68351168
  PAW double counting   =      4080.35954136    -4117.02001439
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.87068389
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33911736 eV

  energy without entropy =     -470.33911736  energy(sigma->0) =     -470.33911736


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




 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 -57.8101       2 -41.9916       3 -42.1051       4 -57.9938       5 -57.9903
       6 -57.9917       7 -57.9912       8 -57.9918       9 -57.9918      10 -57.9978
      11 -58.0262      12 -58.0082      13 -58.0007      14 -57.9912      15 -57.9981
      16 -58.1525      17 -58.5621      18 -58.0082      19 -57.9917      20 -57.9934
      21 -58.0086      22 -58.1526      23 -58.0262      24 -57.9903      25 -57.9862
      26 -57.9934      27 -57.9981      28 -57.9978      29 -57.9902      30 -57.9977
      31 -57.9980      32 -57.9933      33 -57.9861      34 -57.9916      35 -58.0261
      36 -58.1525      37 -58.0086      38 -57.9933      39 -57.9911      40 -58.0081
      41 -58.5620      42 -58.1525      43 -57.9980      44 -57.9917      45 -58.0006
      46 -58.0081      47 -58.0261      48 -57.9977      49 -57.9937      50 -57.9917
      51 -57.9911      52 -57.9916      53 -57.9902
 
 
 
 E-fermi :  -2.8443     XC(G=0):  -2.3526     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     -22.0792      1.00000
      2     -21.2450      1.00000
      3     -21.1352      1.00000
      4     -21.1238      1.00000
      5     -21.1165      1.00000
      6     -21.0996      1.00000
      7     -21.0977      1.00000
      8     -19.3812      1.00000
      9     -19.3017      1.00000
     10     -19.2948      1.00000
     11     -19.2889      1.00000
     12     -19.2692      1.00000
     13     -19.2661      1.00000
     14     -18.4724      1.00000
     15     -18.4122      1.00000
     16     -18.4067      1.00000
     17     -18.3822      1.00000
     18     -18.3761      1.00000
     19     -18.3691      1.00000
     20     -16.3384      1.00000
     21     -16.2571      1.00000
     22     -16.2560      1.00000
     23     -16.2444      1.00000
     24     -16.2280      1.00000
     25     -16.2276      1.00000
     26     -15.3086      1.00000
     27     -15.2653      1.00000
     28     -15.2399      1.00000
     29     -15.2319      1.00000
     30     -15.2255      1.00000
     31     -15.2165      1.00000
     32     -13.9631      1.00000
     33     -13.9250      1.00000
     34     -13.9018      1.00000
     35     -13.8959      1.00000
     36     -13.8891      1.00000
     37     -13.8763      1.00000
     38     -11.7467      1.00000
     39     -11.5647      1.00000
     40     -11.5306      1.00000
     41     -11.5251      1.00000
     42     -11.5218      1.00000
     43     -11.5202      1.00000
     44     -11.4379      1.00000
     45     -11.4338      1.00000
     46     -11.4110      1.00000
     47     -11.3911      1.00000
     48     -11.3896      1.00000
     49     -11.3890      1.00000
     50     -11.1342      1.00000
     51     -10.2575      1.00000
     52     -10.0697      1.00000
     53     -10.0616      1.00000
     54     -10.0406      1.00000
     55     -10.0400      1.00000
     56     -10.0224      1.00000
     57      -9.9990      1.00000
     58      -9.4115      1.00000
     59      -9.1384      1.00000
     60      -9.0964      1.00000
     61      -9.0544      1.00000
     62      -9.0386      1.00000
     63      -9.0349      1.00000
     64      -8.8481      1.00000
     65      -8.7840      1.00000
     66      -8.7827      1.00000
     67      -8.7698      1.00000
     68      -8.7574      1.00000
     69      -8.7376      1.00000
     70      -8.7347      1.00000
     71      -8.7314      1.00000
     72      -8.7311      1.00000
     73      -8.7103      1.00000
     74      -8.6926      1.00000
     75      -8.6900      1.00000
     76      -7.3975      1.00000
     77      -7.2357      1.00000
     78      -7.1827      1.00000
     79      -7.1543      1.00000
     80      -7.1061      1.00000
     81      -7.1049      1.00000
     82      -7.0834      1.00000
     83      -7.0800      1.00000
     84      -6.9405      1.00000
     85      -6.9290      1.00000
     86      -6.9232      1.00000
     87      -6.9151      1.00000
     88      -6.3292      1.00000
     89      -6.2899      1.00000
     90      -6.0989      1.00000
     91      -6.0697      1.00000
     92      -6.0309      1.00000
     93      -6.0300      1.00000
     94      -5.6495      1.00000
     95      -5.6144      1.00000
     96      -4.9867      1.00000
     97      -4.6197      1.00000
     98      -4.2677      1.00000
     99      -4.2539      1.00000
    100      -4.0687      1.00000
    101      -4.0650      1.00000
    102      -4.0185      1.00000
    103      -3.8778      1.00000
    104      -3.5683      1.00000
    105      -3.4674      1.00000
    106      -3.4298      1.00000
    107      -1.8994      0.00000
    108      -1.2884      0.00000
    109      -1.2648      0.00000
    110      -1.2609      0.00000
    111      -1.2528      0.00000
    112      -1.2160      0.00000
    113      -1.0454      0.00000
    114       0.3624      0.00000
    115       0.4571      0.00000
    116       0.5336      0.00000
    117       0.5720      0.00000
    118       0.5866      0.00000
    119       0.5870      0.00000
    120       0.7583      0.00000
    121       1.2502      0.00000
    122       1.3226      0.00000
    123       1.3321      0.00000
    124       1.6617      0.00000
    125       1.9294      0.00000
    126       1.9339      0.00000
    127       1.9503      0.00000
    128       2.0223      0.00000
    129       2.1720      0.00000
    130       2.2906      0.00000
    131       2.2937      0.00000
    132       2.2949      0.00000
    133       2.2993      0.00000
    134       2.3045      0.00000
    135       2.3417      0.00000
    136       2.4072      0.00000
    137       2.5207      0.00000
    138       2.6629      0.00000
    139       2.6677      0.00000
    140       2.7140      0.00000
    141       2.7643      0.00000
    142       2.8515      0.00000
    143       2.8683      0.00000
    144       3.0079      0.00000
    145       3.0087      0.00000
    146       3.0190      0.00000
    147       3.0343      0.00000
    148       3.2827      0.00000
    149       3.4718      0.00000
    150       3.5984      0.00000
    151       3.7542      0.00000
    152       3.7635      0.00000
    153       3.9168      0.00000
    154       3.9283      0.00000
    155       3.9483      0.00000
    156       3.9810      0.00000
    157       4.1792      0.00000
    158       4.1801      0.00000
    159       4.3239      0.00000
    160       4.3288      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0422      1.00000
      2     -21.4827      1.00000
      3     -21.3007      1.00000
      4     -21.2678      1.00000
      5     -20.9317      1.00000
      6     -20.8942      1.00000
      7     -20.7200      1.00000
      8     -19.8291      1.00000
      9     -19.7892      1.00000
     10     -19.2795      1.00000
     11     -19.2494      1.00000
     12     -19.0821      1.00000
     13     -18.7586      1.00000
     14     -18.7218      1.00000
     15     -18.7112      1.00000
     16     -18.6986      1.00000
     17     -18.0334      1.00000
     18     -18.0086      1.00000
     19     -17.6865      1.00000
     20     -16.7477      1.00000
     21     -16.6922      1.00000
     22     -16.6192      1.00000
     23     -16.6037      1.00000
     24     -16.1442      1.00000
     25     -16.1232      1.00000
     26     -15.2935      1.00000
     27     -15.2654      1.00000
     28     -14.9403      1.00000
     29     -14.9011      1.00000
     30     -14.8434      1.00000
     31     -14.7635      1.00000
     32     -14.7360      1.00000
     33     -14.3749      1.00000
     34     -14.3575      1.00000
     35     -13.4120      1.00000
     36     -13.3872      1.00000
     37     -12.9091      1.00000
     38     -12.3072      1.00000
     39     -12.2529      1.00000
     40     -12.1274      1.00000
     41     -12.1087      1.00000
     42     -11.8260      1.00000
     43     -11.7747      1.00000
     44     -11.4407      1.00000
     45     -11.3495      1.00000
     46     -11.2023      1.00000
     47     -10.9018      1.00000
     48     -10.8905      1.00000
     49     -10.6873      1.00000
     50     -10.6729      1.00000
     51     -10.5939      1.00000
     52     -10.5692      1.00000
     53     -10.1911      1.00000
     54      -9.8289      1.00000
     55      -9.8189      1.00000
     56      -9.7734      1.00000
     57      -9.5761      1.00000
     58      -9.4005      1.00000
     59      -9.3722      1.00000
     60      -9.3100      1.00000
     61      -9.2835      1.00000
     62      -9.2484      1.00000
     63      -9.2036      1.00000
     64      -8.9858      1.00000
     65      -8.9754      1.00000
     66      -8.9267      1.00000
     67      -8.8823      1.00000
     68      -8.8180      1.00000
     69      -8.7831      1.00000
     70      -8.7735      1.00000
     71      -8.6105      1.00000
     72      -8.5447      1.00000
     73      -8.2971      1.00000
     74      -8.2683      1.00000
     75      -7.7841      1.00000
     76      -7.7210      1.00000
     77      -7.5665      1.00000
     78      -7.5348      1.00000
     79      -7.4339      1.00000
     80      -7.4298      1.00000
     81      -7.0734      1.00000
     82      -7.0478      1.00000
     83      -7.0207      1.00000
     84      -6.9834      1.00000
     85      -6.7928      1.00000
     86      -6.6962      1.00000
     87      -6.5529      1.00000
     88      -6.4656      1.00000
     89      -6.3664      1.00000
     90      -6.3051      1.00000
     91      -5.8412      1.00000
     92      -5.8125      1.00000
     93      -5.8019      1.00000
     94      -5.6897      1.00000
     95      -5.4783      1.00000
     96      -5.0498      1.00000
     97      -4.7419      1.00000
     98      -4.4591      1.00000
     99      -4.3725      1.00000
    100      -4.2103      1.00000
    101      -4.1663      1.00000
    102      -4.0192      1.00000
    103      -3.8292      1.00000
    104      -3.5252      1.00000
    105      -3.4564      1.00000
    106      -3.4046      1.00000
    107      -1.9191      0.00000
    108      -1.4345      0.00000
    109      -1.3137      0.00000
    110      -1.0121      0.00000
    111      -0.9750      0.00000
    112      -0.9586      0.00000
    113      -0.9103      0.00000
    114      -0.3121      0.00000
    115       0.0585      0.00000
    116       0.1049      0.00000
    117       0.7590      0.00000
    118       0.8726      0.00000
    119       1.0133      0.00000
    120       1.0790      0.00000
    121       1.2835      0.00000
    122       1.3669      0.00000
    123       1.4275      0.00000
    124       1.4951      0.00000
    125       1.5620      0.00000
    126       1.6772      0.00000
    127       1.7673      0.00000
    128       1.9642      0.00000
    129       1.9839      0.00000
    130       2.1193      0.00000
    131       2.2009      0.00000
    132       2.2625      0.00000
    133       2.3346      0.00000
    134       2.3727      0.00000
    135       2.4234      0.00000
    136       2.5426      0.00000
    137       2.7183      0.00000
    138       2.7474      0.00000
    139       2.7729      0.00000
    140       2.8280      0.00000
    141       2.8861      0.00000
    142       3.0567      0.00000
    143       3.1188      0.00000
    144       3.1256      0.00000
    145       3.1611      0.00000
    146       3.1940      0.00000
    147       3.2495      0.00000
    148       3.4236      0.00000
    149       3.4784      0.00000
    150       3.4990      0.00000
    151       3.6018      0.00000
    152       3.6080      0.00000
    153       3.7920      0.00000
    154       3.8604      0.00000
    155       3.9268      0.00000
    156       4.0300      0.00000
    157       4.1312      0.00000
    158       4.1401      0.00000
    159       4.2035      0.00000
    160       4.3006      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9338      1.00000
      2     -21.7350      1.00000
      3     -21.3771      1.00000
      4     -21.3424      1.00000
      5     -20.6384      1.00000
      6     -20.5980      1.00000
      7     -20.2754      1.00000
      8     -20.2355      1.00000
      9     -20.2260      1.00000
     10     -19.6950      1.00000
     11     -19.1756      1.00000
     12     -19.1424      1.00000
     13     -18.9764      1.00000
     14     -18.9574      1.00000
     15     -18.1164      1.00000
     16     -18.0726      1.00000
     17     -17.6000      1.00000
     18     -17.5704      1.00000
     19     -17.4286      1.00000
     20     -17.3883      1.00000
     21     -17.1115      1.00000
     22     -17.0887      1.00000
     23     -17.0109      1.00000
     24     -16.1397      1.00000
     25     -16.1196      1.00000
     26     -15.6253      1.00000
     27     -15.0943      1.00000
     28     -15.0677      1.00000
     29     -14.7764      1.00000
     30     -14.7529      1.00000
     31     -14.5436      1.00000
     32     -14.5105      1.00000
     33     -13.9603      1.00000
     34     -13.9241      1.00000
     35     -13.1175      1.00000
     36     -13.0721      1.00000
     37     -12.8679      1.00000
     38     -12.8386      1.00000
     39     -12.6454      1.00000
     40     -12.6308      1.00000
     41     -12.3093      1.00000
     42     -12.2766      1.00000
     43     -11.8797      1.00000
     44     -11.3706      1.00000
     45     -11.2062      1.00000
     46     -11.1532      1.00000
     47     -10.9597      1.00000
     48     -10.9500      1.00000
     49     -10.8109      1.00000
     50     -10.3498      1.00000
     51     -10.3341      1.00000
     52     -10.0951      1.00000
     53      -9.9897      1.00000
     54      -9.9840      1.00000
     55      -9.8429      1.00000
     56      -9.7868      1.00000
     57      -9.7814      1.00000
     58      -9.4634      1.00000
     59      -9.4459      1.00000
     60      -9.4003      1.00000
     61      -9.3704      1.00000
     62      -9.3540      1.00000
     63      -9.3232      1.00000
     64      -9.0335      1.00000
     65      -9.0212      1.00000
     66      -8.9873      1.00000
     67      -8.7025      1.00000
     68      -8.6349      1.00000
     69      -8.5446      1.00000
     70      -8.4770      1.00000
     71      -8.2738      1.00000
     72      -8.1902      1.00000
     73      -8.0708      1.00000
     74      -8.0559      1.00000
     75      -8.0117      1.00000
     76      -7.9576      1.00000
     77      -7.9338      1.00000
     78      -7.9267      1.00000
     79      -7.9048      1.00000
     80      -7.4692      1.00000
     81      -7.0717      1.00000
     82      -7.0297      1.00000
     83      -7.0197      1.00000
     84      -6.9191      1.00000
     85      -6.8966      1.00000
     86      -6.6634      1.00000
     87      -6.6550      1.00000
     88      -6.3050      1.00000
     89      -6.2426      1.00000
     90      -5.9756      1.00000
     91      -5.9099      1.00000
     92      -5.7346      1.00000
     93      -5.5217      1.00000
     94      -5.3945      1.00000
     95      -5.2322      1.00000
     96      -5.0660      1.00000
     97      -5.0026      1.00000
     98      -4.9021      1.00000
     99      -4.9008      1.00000
    100      -4.3198      1.00000
    101      -4.1621      1.00000
    102      -4.0613      1.00000
    103      -3.7730      1.00000
    104      -3.5607      1.00000
    105      -3.3585      1.00000
    106      -3.3484      1.00000
    107      -1.9433      0.00000
    108      -1.5318      0.00000
    109      -1.3410      0.00000
    110      -0.8300      0.00000
    111      -0.7070      0.00000
    112      -0.6614      0.00000
    113      -0.3480      0.00000
    114      -0.3127      0.00000
    115      -0.3023      0.00000
    116      -0.2836      0.00000
    117       0.4533      0.00000
    118       0.5384      0.00000
    119       0.8215      0.00000
    120       1.0779      0.00000
    121       1.1347      0.00000
    122       1.4148      0.00000
    123       1.5057      0.00000
    124       1.5558      0.00000
    125       1.6060      0.00000
    126       1.7076      0.00000
    127       1.8672      0.00000
    128       1.8941      0.00000
    129       1.9482      0.00000
    130       2.0557      0.00000
    131       2.0961      0.00000
    132       2.1989      0.00000
    133       2.3576      0.00000
    134       2.5203      0.00000
    135       2.6299      0.00000
    136       2.6579      0.00000
    137       2.7131      0.00000
    138       2.7600      0.00000
    139       2.9023      0.00000
    140       2.9675      0.00000
    141       3.0330      0.00000
    142       3.2013      0.00000
    143       3.2257      0.00000
    144       3.2563      0.00000
    145       3.3792      0.00000
    146       3.4169      0.00000
    147       3.4733      0.00000
    148       3.5396      0.00000
    149       3.6191      0.00000
    150       3.6482      0.00000
    151       3.6821      0.00000
    152       3.7104      0.00000
    153       3.8255      0.00000
    154       3.8972      0.00000
    155       3.9223      0.00000
    156       3.9386      0.00000
    157       3.9931      0.00000
    158       4.0251      0.00000
    159       4.1012      0.00000
    160       4.1080      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9691      1.00000
      2     -21.6104      1.00000
      3     -21.5613      1.00000
      4     -21.0369      1.00000
      5     -21.0133      1.00000
      6     -20.4914      1.00000
      7     -20.4437      1.00000
      8     -20.2841      1.00000
      9     -19.7354      1.00000
     10     -19.7337      1.00000
     11     -19.3787      1.00000
     12     -19.3571      1.00000
     13     -18.6577      1.00000
     14     -18.6540      1.00000
     15     -18.3031      1.00000
     16     -18.2916      1.00000
     17     -18.1249      1.00000
     18     -17.3544      1.00000
     19     -17.2927      1.00000
     20     -17.2803      1.00000
     21     -17.2537      1.00000
     22     -16.7878      1.00000
     23     -16.7733      1.00000
     24     -16.6268      1.00000
     25     -15.6632      1.00000
     26     -15.6069      1.00000
     27     -15.2524      1.00000
     28     -15.2419      1.00000
     29     -14.9728      1.00000
     30     -14.5294      1.00000
     31     -14.4991      1.00000
     32     -14.2525      1.00000
     33     -14.2126      1.00000
     34     -13.8387      1.00000
     35     -13.8317      1.00000
     36     -12.8130      1.00000
     37     -12.7583      1.00000
     38     -12.7177      1.00000
     39     -12.6938      1.00000
     40     -12.3880      1.00000
     41     -12.3795      1.00000
     42     -12.0063      1.00000
     43     -11.9802      1.00000
     44     -11.4425      1.00000
     45     -11.3054      1.00000
     46     -11.2438      1.00000
     47     -11.1244      1.00000
     48     -10.6056      1.00000
     49     -10.5911      1.00000
     50     -10.3040      1.00000
     51     -10.2912      1.00000
     52     -10.1716      1.00000
     53     -10.1703      1.00000
     54     -10.1123      1.00000
     55     -10.0997      1.00000
     56     -10.0225      1.00000
     57      -9.7104      1.00000
     58      -9.5819      1.00000
     59      -9.2849      1.00000
     60      -9.2276      1.00000
     61      -9.1518      1.00000
     62      -9.0825      1.00000
     63      -9.0657      1.00000
     64      -9.0453      1.00000
     65      -8.9988      1.00000
     66      -8.9679      1.00000
     67      -8.8615      1.00000
     68      -8.8278      1.00000
     69      -8.7831      1.00000
     70      -8.5357      1.00000
     71      -8.5291      1.00000
     72      -8.3977      1.00000
     73      -8.2800      1.00000
     74      -8.1260      1.00000
     75      -7.8828      1.00000
     76      -7.8452      1.00000
     77      -7.6009      1.00000
     78      -7.5350      1.00000
     79      -7.5036      1.00000
     80      -7.4998      1.00000
     81      -7.3867      1.00000
     82      -7.3762      1.00000
     83      -7.1325      1.00000
     84      -7.0767      1.00000
     85      -6.6052      1.00000
     86      -6.5814      1.00000
     87      -6.4816      1.00000
     88      -6.3522      1.00000
     89      -6.1147      1.00000
     90      -6.0518      1.00000
     91      -5.9791      1.00000
     92      -5.8983      1.00000
     93      -5.7320      1.00000
     94      -5.3408      1.00000
     95      -5.1660      1.00000
     96      -5.1261      1.00000
     97      -5.0549      1.00000
     98      -4.9025      1.00000
     99      -4.4514      1.00000
    100      -4.3960      1.00000
    101      -4.1603      1.00000
    102      -4.0371      1.00000
    103      -3.9399      1.00000
    104      -3.5540      1.00000
    105      -3.4898      1.00000
    106      -3.0590      1.00000
    107      -2.1234      0.00000
    108      -1.6021      0.00000
    109      -0.9392      0.00000
    110      -0.9073      0.00000
    111      -0.8422      0.00000
    112      -0.6370      0.00000
    113      -0.6281      0.00000
    114      -0.4965      0.00000
    115      -0.4840      0.00000
    116       0.4893      0.00000
    117       0.4929      0.00000
    118       0.5881      0.00000
    119       0.7906      0.00000
    120       1.0278      0.00000
    121       1.0830      0.00000
    122       1.2920      0.00000
    123       1.3023      0.00000
    124       1.4752      0.00000
    125       1.6350      0.00000
    126       1.7156      0.00000
    127       1.8419      0.00000
    128       2.0130      0.00000
    129       2.0606      0.00000
    130       2.0909      0.00000
    131       2.1698      0.00000
    132       2.3058      0.00000
    133       2.3580      0.00000
    134       2.4547      0.00000
    135       2.5466      0.00000
    136       2.7458      0.00000
    137       2.8050      0.00000
    138       2.8425      0.00000
    139       2.8841      0.00000
    140       2.9054      0.00000
    141       3.0569      0.00000
    142       3.0591      0.00000
    143       3.1303      0.00000
    144       3.1743      0.00000
    145       3.2655      0.00000
    146       3.3025      0.00000
    147       3.3711      0.00000
    148       3.4830      0.00000
    149       3.5847      0.00000
    150       3.6022      0.00000
    151       3.6834      0.00000
    152       3.6995      0.00000
    153       3.8046      0.00000
    154       3.9053      0.00000
    155       3.9628      0.00000
    156       3.9862      0.00000
    157       4.0024      0.00000
    158       4.1009      0.00000
    159       4.1679      0.00000
    160       4.1724      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8532      1.00000
      2     -21.7807      1.00000
      3     -21.6179      1.00000
      4     -21.0632      1.00000
      5     -20.7116      1.00000
      6     -20.6700      1.00000
      7     -20.1635      1.00000
      8     -20.1172      1.00000
      9     -19.9629      1.00000
     10     -19.9330      1.00000
     11     -19.6147      1.00000
     12     -19.5570      1.00000
     13     -18.5434      1.00000
     14     -18.4800      1.00000
     15     -18.0275      1.00000
     16     -17.9627      1.00000
     17     -17.8246      1.00000
     18     -17.7957      1.00000
     19     -17.4987      1.00000
     20     -17.4480      1.00000
     21     -16.9314      1.00000
     22     -16.9016      1.00000
     23     -16.8382      1.00000
     24     -16.7978      1.00000
     25     -15.7652      1.00000
     26     -15.5636      1.00000
     27     -15.5294      1.00000
     28     -15.4974      1.00000
     29     -14.9159      1.00000
     30     -14.2365      1.00000
     31     -14.1908      1.00000
     32     -13.9603      1.00000
     33     -13.6358      1.00000
     34     -13.6255      1.00000
     35     -13.4982      1.00000
     36     -13.4729      1.00000
     37     -13.2961      1.00000
     38     -13.2351      1.00000
     39     -13.0280      1.00000
     40     -12.2922      1.00000
     41     -11.8999      1.00000
     42     -11.8020      1.00000
     43     -11.7521      1.00000
     44     -11.6882      1.00000
     45     -11.3973      1.00000
     46     -11.3263      1.00000
     47     -11.1842      1.00000
     48     -10.8048      1.00000
     49     -10.7884      1.00000
     50     -10.4582      1.00000
     51     -10.4026      1.00000
     52     -10.0297      1.00000
     53      -9.8925      1.00000
     54      -9.8741      1.00000
     55      -9.8356      1.00000
     56      -9.6900      1.00000
     57      -9.6837      1.00000
     58      -9.6473      1.00000
     59      -9.4835      1.00000
     60      -9.4674      1.00000
     61      -9.4426      1.00000
     62      -9.4311      1.00000
     63      -9.1289      1.00000
     64      -9.0363      1.00000
     65      -8.7661      1.00000
     66      -8.7420      1.00000
     67      -8.7038      1.00000
     68      -8.6013      1.00000
     69      -8.5432      1.00000
     70      -8.3974      1.00000
     71      -8.3696      1.00000
     72      -8.2529      1.00000
     73      -8.2134      1.00000
     74      -8.1594      1.00000
     75      -8.1331      1.00000
     76      -8.0411      1.00000
     77      -7.9102      1.00000
     78      -7.7671      1.00000
     79      -7.7048      1.00000
     80      -7.5847      1.00000
     81      -7.4405      1.00000
     82      -7.2889      1.00000
     83      -7.2102      1.00000
     84      -6.6981      1.00000
     85      -6.6102      1.00000
     86      -6.5567      1.00000
     87      -6.4520      1.00000
     88      -6.2419      1.00000
     89      -6.1658      1.00000
     90      -6.1015      1.00000
     91      -5.9062      1.00000
     92      -5.6743      1.00000
     93      -5.5120      1.00000
     94      -5.4704      1.00000
     95      -5.2748      1.00000
     96      -5.1177      1.00000
     97      -4.9392      1.00000
     98      -4.9062      1.00000
     99      -4.9013      1.00000
    100      -4.4890      1.00000
    101      -4.1606      1.00000
    102      -4.0469      1.00000
    103      -3.9270      1.00000
    104      -3.5719      1.00000
    105      -3.5151      1.00000
    106      -2.8578      1.00000
    107      -2.2505      0.00000
    108      -1.6804      0.00000
    109      -0.9101      0.00000
    110      -0.8648      0.00000
    111      -0.8609      0.00000
    112      -0.7835      0.00000
    113      -0.1996      0.00000
    114      -0.1667      0.00000
    115      -0.0195      0.00000
    116       0.0028      0.00000
    117       0.2429      0.00000
    118       0.3238      0.00000
    119       0.7702      0.00000
    120       0.8566      0.00000
    121       0.9372      0.00000
    122       1.0583      0.00000
    123       1.2833      0.00000
    124       1.5164      0.00000
    125       1.5907      0.00000
    126       1.6770      0.00000
    127       1.9592      0.00000
    128       2.0292      0.00000
    129       2.0695      0.00000
    130       2.1289      0.00000
    131       2.3089      0.00000
    132       2.3728      0.00000
    133       2.4832      0.00000
    134       2.5804      0.00000
    135       2.6720      0.00000
    136       2.7608      0.00000
    137       2.9360      0.00000
    138       2.9906      0.00000
    139       3.0371      0.00000
    140       3.0601      0.00000
    141       3.1482      0.00000
    142       3.1659      0.00000
    143       3.1831      0.00000
    144       3.2197      0.00000
    145       3.3339      0.00000
    146       3.3964      0.00000
    147       3.4491      0.00000
    148       3.4704      0.00000
    149       3.4965      0.00000
    150       3.5464      0.00000
    151       3.5818      0.00000
    152       3.6002      0.00000
    153       3.6357      0.00000
    154       3.6977      0.00000
    155       3.7880      0.00000
    156       3.8947      0.00000
    157       3.9495      0.00000
    158       4.0435      0.00000
    159       4.1910      0.00000
    160       4.2049      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9686      1.00000
      2     -21.6166      1.00000
      3     -21.5553      1.00000
      4     -21.0458      1.00000
      5     -21.0042      1.00000
      6     -20.4969      1.00000
      7     -20.4378      1.00000
      8     -20.2832      1.00000
      9     -19.7564      1.00000
     10     -19.7156      1.00000
     11     -19.3851      1.00000
     12     -19.3485      1.00000
     13     -18.6788      1.00000
     14     -18.6351      1.00000
     15     -18.3217      1.00000
     16     -18.2756      1.00000
     17     -18.1240      1.00000
     18     -17.3428      1.00000
     19     -17.2989      1.00000
     20     -17.2724      1.00000
     21     -17.2462      1.00000
     22     -16.8132      1.00000
     23     -16.7576      1.00000
     24     -16.6408      1.00000
     25     -15.6879      1.00000
     26     -15.5784      1.00000
     27     -15.2737      1.00000
     28     -15.2345      1.00000
     29     -14.9414      1.00000
     30     -14.5597      1.00000
     31     -14.4924      1.00000
     32     -14.2471      1.00000
     33     -14.2056      1.00000
     34     -13.8363      1.00000
     35     -13.8253      1.00000
     36     -12.8642      1.00000
     37     -12.7592      1.00000
     38     -12.6984      1.00000
     39     -12.6840      1.00000
     40     -12.4090      1.00000
     41     -12.3606      1.00000
     42     -12.0073      1.00000
     43     -11.9848      1.00000
     44     -11.3774      1.00000
     45     -11.2928      1.00000
     46     -11.2338      1.00000
     47     -11.1806      1.00000
     48     -10.6054      1.00000
     49     -10.5899      1.00000
     50     -10.3394      1.00000
     51     -10.2653      1.00000
     52     -10.2127      1.00000
     53     -10.1688      1.00000
     54     -10.1273      1.00000
     55     -10.0735      1.00000
     56     -10.0219      1.00000
     57      -9.7123      1.00000
     58      -9.5770      1.00000
     59      -9.2889      1.00000
     60      -9.2237      1.00000
     61      -9.1300      1.00000
     62      -9.0981      1.00000
     63      -9.0744      1.00000
     64      -9.0442      1.00000
     65      -9.0058      1.00000
     66      -8.9535      1.00000
     67      -8.8423      1.00000
     68      -8.8000      1.00000
     69      -8.7810      1.00000
     70      -8.5423      1.00000
     71      -8.5325      1.00000
     72      -8.4108      1.00000
     73      -8.2698      1.00000
     74      -8.1546      1.00000
     75      -7.8757      1.00000
     76      -7.8466      1.00000
     77      -7.6334      1.00000
     78      -7.5402      1.00000
     79      -7.5029      1.00000
     80      -7.4522      1.00000
     81      -7.3951      1.00000
     82      -7.3600      1.00000
     83      -7.1624      1.00000
     84      -7.0495      1.00000
     85      -6.6266      1.00000
     86      -6.5864      1.00000
     87      -6.4938      1.00000
     88      -6.3061      1.00000
     89      -6.0973      1.00000
     90      -6.0434      1.00000
     91      -5.9815      1.00000
     92      -5.8757      1.00000
     93      -5.7956      1.00000
     94      -5.4810      1.00000
     95      -5.2692      1.00000
     96      -5.0630      1.00000
     97      -4.9039      1.00000
     98      -4.7696      1.00000
     99      -4.5157      1.00000
    100      -4.4349      1.00000
    101      -4.1740      1.00000
    102      -4.0049      1.00000
    103      -3.8634      1.00000
    104      -3.5957      1.00000
    105      -3.5213      1.00000
    106      -3.1682      1.00000
    107      -1.9278      0.00000
    108      -1.6945      0.00000
    109      -0.9867      0.00000
    110      -0.8968      0.00000
    111      -0.8731      0.00000
    112      -0.6339      0.00000
    113      -0.5809      0.00000
    114      -0.4929      0.00000
    115      -0.4662      0.00000
    116       0.3742      0.00000
    117       0.5307      0.00000
    118       0.5761      0.00000
    119       0.8129      0.00000
    120       1.0914      0.00000
    121       1.0985      0.00000
    122       1.2244      0.00000
    123       1.3542      0.00000
    124       1.4701      0.00000
    125       1.5993      0.00000
    126       1.7397      0.00000
    127       1.8399      0.00000
    128       1.9999      0.00000
    129       2.0677      0.00000
    130       2.0942      0.00000
    131       2.1597      0.00000
    132       2.3477      0.00000
    133       2.3666      0.00000
    134       2.4609      0.00000
    135       2.5061      0.00000
    136       2.7534      0.00000
    137       2.8034      0.00000
    138       2.8427      0.00000
    139       2.8769      0.00000
    140       2.9150      0.00000
    141       3.0384      0.00000
    142       3.0547      0.00000
    143       3.1346      0.00000
    144       3.1726      0.00000
    145       3.2691      0.00000
    146       3.3114      0.00000
    147       3.3817      0.00000
    148       3.4832      0.00000
    149       3.5727      0.00000
    150       3.6128      0.00000
    151       3.6850      0.00000
    152       3.6981      0.00000
    153       3.8003      0.00000
    154       3.9102      0.00000
    155       3.9353      0.00000
    156       3.9909      0.00000
    157       4.0046      0.00000
    158       4.1122      0.00000
    159       4.1358      0.00000
    160       4.1637      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0421      1.00000
      2     -21.4845      1.00000
      3     -21.2967      1.00000
      4     -21.2695      1.00000
      5     -20.9315      1.00000
      6     -20.8966      1.00000
      7     -20.7181      1.00000
      8     -19.8277      1.00000
      9     -19.7907      1.00000
     10     -19.2806      1.00000
     11     -19.2527      1.00000
     12     -19.0764      1.00000
     13     -18.7658      1.00000
     14     -18.7238      1.00000
     15     -18.7064      1.00000
     16     -18.6966      1.00000
     17     -18.0336      1.00000
     18     -18.0123      1.00000
     19     -17.6790      1.00000
     20     -16.7376      1.00000
     21     -16.6913      1.00000
     22     -16.6237      1.00000
     23     -16.6061      1.00000
     24     -16.1603      1.00000
     25     -16.1274      1.00000
     26     -15.2792      1.00000
     27     -15.2614      1.00000
     28     -14.9065      1.00000
     29     -14.8982      1.00000
     30     -14.8737      1.00000
     31     -14.7789      1.00000
     32     -14.7344      1.00000
     33     -14.3739      1.00000
     34     -14.3551      1.00000
     35     -13.4087      1.00000
     36     -13.3829      1.00000
     37     -12.9137      1.00000
     38     -12.3486      1.00000
     39     -12.2485      1.00000
     40     -12.1270      1.00000
     41     -12.1139      1.00000
     42     -11.7814      1.00000
     43     -11.7637      1.00000
     44     -11.3911      1.00000
     45     -11.3622      1.00000
     46     -11.2617      1.00000
     47     -10.9006      1.00000
     48     -10.8954      1.00000
     49     -10.6761      1.00000
     50     -10.6737      1.00000
     51     -10.5982      1.00000
     52     -10.5571      1.00000
     53     -10.1994      1.00000
     54      -9.8749      1.00000
     55      -9.8200      1.00000
     56      -9.7597      1.00000
     57      -9.5683      1.00000
     58      -9.3689      1.00000
     59      -9.3568      1.00000
     60      -9.3250      1.00000
     61      -9.2993      1.00000
     62      -9.2349      1.00000
     63      -9.1988      1.00000
     64      -8.9944      1.00000
     65      -8.9698      1.00000
     66      -8.9203      1.00000
     67      -8.9074      1.00000
     68      -8.8003      1.00000
     69      -8.7892      1.00000
     70      -8.7781      1.00000
     71      -8.6121      1.00000
     72      -8.5439      1.00000
     73      -8.2728      1.00000
     74      -8.2644      1.00000
     75      -7.8174      1.00000
     76      -7.7250      1.00000
     77      -7.5756      1.00000
     78      -7.5000      1.00000
     79      -7.4592      1.00000
     80      -7.4204      1.00000
     81      -7.1395      1.00000
     82      -6.9911      1.00000
     83      -6.9685      1.00000
     84      -6.9390      1.00000
     85      -6.8824      1.00000
     86      -6.6808      1.00000
     87      -6.5609      1.00000
     88      -6.4402      1.00000
     89      -6.3908      1.00000
     90      -6.3072      1.00000
     91      -5.8647      1.00000
     92      -5.7919      1.00000
     93      -5.7694      1.00000
     94      -5.6548      1.00000
     95      -5.5963      1.00000
     96      -5.0447      1.00000
     97      -4.6205      1.00000
     98      -4.5249      1.00000
     99      -4.3634      1.00000
    100      -4.2397      1.00000
    101      -4.1833      1.00000
    102      -3.8327      1.00000
    103      -3.8015      1.00000
    104      -3.7314      1.00000
    105      -3.4524      1.00000
    106      -3.4226      1.00000
    107      -1.8109      0.00000
    108      -1.4355      0.00000
    109      -1.3860      0.00000
    110      -1.0268      0.00000
    111      -1.0025      0.00000
    112      -0.9784      0.00000
    113      -0.8550      0.00000
    114      -0.2673      0.00000
    115       0.0424      0.00000
    116       0.0723      0.00000
    117       0.7424      0.00000
    118       0.9082      0.00000
    119       0.9324      0.00000
    120       1.2035      0.00000
    121       1.2650      0.00000
    122       1.3552      0.00000
    123       1.4305      0.00000
    124       1.4729      0.00000
    125       1.5468      0.00000
    126       1.6861      0.00000
    127       1.7649      0.00000
    128       1.9615      0.00000
    129       1.9790      0.00000
    130       2.1665      0.00000
    131       2.1999      0.00000
    132       2.2330      0.00000
    133       2.3319      0.00000
    134       2.3852      0.00000
    135       2.4224      0.00000
    136       2.5460      0.00000
    137       2.7159      0.00000
    138       2.7444      0.00000
    139       2.7823      0.00000
    140       2.8151      0.00000
    141       2.8770      0.00000
    142       3.0463      0.00000
    143       3.1298      0.00000
    144       3.1491      0.00000
    145       3.1722      0.00000
    146       3.2212      0.00000
    147       3.2335      0.00000
    148       3.4215      0.00000
    149       3.4240      0.00000
    150       3.5009      0.00000
    151       3.6052      0.00000
    152       3.6088      0.00000
    153       3.7896      0.00000
    154       3.8597      0.00000
    155       3.9239      0.00000
    156       4.0040      0.00000
    157       4.1355      0.00000
    158       4.1589      0.00000
    159       4.2088      0.00000
    160       4.3159      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8493      1.00000
      2     -21.7865      1.00000
      3     -21.6160      1.00000
      4     -21.0637      1.00000
      5     -20.7021      1.00000
      6     -20.6793      1.00000
      7     -20.1536      1.00000
      8     -20.1277      1.00000
      9     -19.9481      1.00000
     10     -19.9472      1.00000
     11     -19.6082      1.00000
     12     -19.5635      1.00000
     13     -18.5436      1.00000
     14     -18.4870      1.00000
     15     -17.9969      1.00000
     16     -17.9821      1.00000
     17     -17.8150      1.00000
     18     -17.8093      1.00000
     19     -17.4782      1.00000
     20     -17.4634      1.00000
     21     -16.9356      1.00000
     22     -16.9080      1.00000
     23     -16.8229      1.00000
     24     -16.8032      1.00000
     25     -15.7937      1.00000
     26     -15.5341      1.00000
     27     -15.5321      1.00000
     28     -15.5158      1.00000
     29     -14.8932      1.00000
     30     -14.2226      1.00000
     31     -14.2019      1.00000
     32     -13.9387      1.00000
     33     -13.6696      1.00000
     34     -13.6288      1.00000
     35     -13.4970      1.00000
     36     -13.4822      1.00000
     37     -13.2727      1.00000
     38     -13.2448      1.00000
     39     -13.0320      1.00000
     40     -12.3176      1.00000
     41     -11.8414      1.00000
     42     -11.8276      1.00000
     43     -11.7229      1.00000
     44     -11.6875      1.00000
     45     -11.4149      1.00000
     46     -11.3430      1.00000
     47     -11.1751      1.00000
     48     -10.8057      1.00000
     49     -10.7963      1.00000
     50     -10.4583      1.00000
     51     -10.4030      1.00000
     52     -10.0392      1.00000
     53      -9.8794      1.00000
     54      -9.8701      1.00000
     55      -9.8507      1.00000
     56      -9.7021      1.00000
     57      -9.6640      1.00000
     58      -9.6476      1.00000
     59      -9.4950      1.00000
     60      -9.4675      1.00000
     61      -9.4447      1.00000
     62      -9.4336      1.00000
     63      -9.1295      1.00000
     64      -9.0331      1.00000
     65      -8.7667      1.00000
     66      -8.7311      1.00000
     67      -8.6733      1.00000
     68      -8.6310      1.00000
     69      -8.5357      1.00000
     70      -8.3819      1.00000
     71      -8.3736      1.00000
     72      -8.2421      1.00000
     73      -8.2214      1.00000
     74      -8.1343      1.00000
     75      -8.1342      1.00000
     76      -8.0100      1.00000
     77      -7.9745      1.00000
     78      -7.7677      1.00000
     79      -7.7294      1.00000
     80      -7.6250      1.00000
     81      -7.3739      1.00000
     82      -7.2946      1.00000
     83      -7.1861      1.00000
     84      -6.7398      1.00000
     85      -6.6329      1.00000
     86      -6.5624      1.00000
     87      -6.3090      1.00000
     88      -6.2302      1.00000
     89      -6.1672      1.00000
     90      -6.1358      1.00000
     91      -6.0569      1.00000
     92      -5.6747      1.00000
     93      -5.4877      1.00000
     94      -5.4526      1.00000
     95      -5.2998      1.00000
     96      -5.0920      1.00000
     97      -4.9196      1.00000
     98      -4.9106      1.00000
     99      -4.8771      1.00000
    100      -4.4595      1.00000
    101      -4.1502      1.00000
    102      -4.0226      1.00000
    103      -3.9544      1.00000
    104      -3.5847      1.00000
    105      -3.5331      1.00000
    106      -2.9597      1.00000
    107      -2.1051      0.00000
    108      -1.7298      0.00000
    109      -0.8669      0.00000
    110      -0.8644      0.00000
    111      -0.8571      0.00000
    112      -0.8324      0.00000
    113      -0.1876      0.00000
    114      -0.1723      0.00000
    115      -0.0398      0.00000
    116      -0.0167      0.00000
    117       0.2954      0.00000
    118       0.3020      0.00000
    119       0.7488      0.00000
    120       0.8491      0.00000
    121       0.9899      0.00000
    122       1.0300      0.00000
    123       1.2445      0.00000
    124       1.5718      0.00000
    125       1.5771      0.00000
    126       1.6555      0.00000
    127       1.9652      0.00000
    128       2.0370      0.00000
    129       2.0675      0.00000
    130       2.1370      0.00000
    131       2.3067      0.00000
    132       2.3736      0.00000
    133       2.5391      0.00000
    134       2.5552      0.00000
    135       2.6560      0.00000
    136       2.8276      0.00000
    137       2.9310      0.00000
    138       2.9609      0.00000
    139       3.0270      0.00000
    140       3.0603      0.00000
    141       3.1206      0.00000
    142       3.1620      0.00000
    143       3.1988      0.00000
    144       3.2145      0.00000
    145       3.3364      0.00000
    146       3.3914      0.00000
    147       3.4339      0.00000
    148       3.4724      0.00000
    149       3.5060      0.00000
    150       3.5452      0.00000
    151       3.5620      0.00000
    152       3.5843      0.00000
    153       3.6340      0.00000
    154       3.6845      0.00000
    155       3.8052      0.00000
    156       3.9160      0.00000
    157       3.9489      0.00000
    158       4.0431      0.00000
    159       4.1790      0.00000
    160       4.1981      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9326      1.00000
      2     -21.7374      1.00000
      3     -21.3739      1.00000
      4     -21.3443      1.00000
      5     -20.6368      1.00000
      6     -20.5998      1.00000
      7     -20.2668      1.00000
      8     -20.2388      1.00000
      9     -20.2305      1.00000
     10     -19.6945      1.00000
     11     -19.1730      1.00000
     12     -19.1445      1.00000
     13     -18.9777      1.00000
     14     -18.9630      1.00000
     15     -18.1081      1.00000
     16     -18.0731      1.00000
     17     -17.5988      1.00000
     18     -17.5745      1.00000
     19     -17.4242      1.00000
     20     -17.3872      1.00000
     21     -17.1127      1.00000
     22     -17.0907      1.00000
     23     -17.0014      1.00000
     24     -16.1589      1.00000
     25     -16.1228      1.00000
     26     -15.6402      1.00000
     27     -15.0826      1.00000
     28     -15.0640      1.00000
     29     -14.7717      1.00000
     30     -14.7495      1.00000
     31     -14.5125      1.00000
     32     -14.5057      1.00000
     33     -13.9889      1.00000
     34     -13.9213      1.00000
     35     -13.1474      1.00000
     36     -13.0682      1.00000
     37     -12.8578      1.00000
     38     -12.8332      1.00000
     39     -12.6608      1.00000
     40     -12.6389      1.00000
     41     -12.2925      1.00000
     42     -12.2697      1.00000
     43     -11.8831      1.00000
     44     -11.2728      1.00000
     45     -11.2500      1.00000
     46     -11.1801      1.00000
     47     -10.9825      1.00000
     48     -10.9402      1.00000
     49     -10.8092      1.00000
     50     -10.3766      1.00000
     51     -10.3359      1.00000
     52     -10.0936      1.00000
     53      -9.9844      1.00000
     54      -9.9841      1.00000
     55      -9.8560      1.00000
     56      -9.7970      1.00000
     57      -9.7638      1.00000
     58      -9.4807      1.00000
     59      -9.4202      1.00000
     60      -9.3898      1.00000
     61      -9.3755      1.00000
     62      -9.3675      1.00000
     63      -9.3198      1.00000
     64      -9.0360      1.00000
     65      -9.0204      1.00000
     66      -8.9899      1.00000
     67      -8.6545      1.00000
     68      -8.6351      1.00000
     69      -8.5808      1.00000
     70      -8.4578      1.00000
     71      -8.2630      1.00000
     72      -8.1969      1.00000
     73      -8.0972      1.00000
     74      -8.0595      1.00000
     75      -7.9730      1.00000
     76      -7.9678      1.00000
     77      -7.9325      1.00000
     78      -7.9130      1.00000
     79      -7.9023      1.00000
     80      -7.4899      1.00000
     81      -7.2152      1.00000
     82      -7.0244      1.00000
     83      -6.9403      1.00000
     84      -6.8758      1.00000
     85      -6.8232      1.00000
     86      -6.6739      1.00000
     87      -6.6341      1.00000
     88      -6.2886      1.00000
     89      -6.2627      1.00000
     90      -6.1413      1.00000
     91      -5.9485      1.00000
     92      -5.6322      1.00000
     93      -5.5178      1.00000
     94      -5.3930      1.00000
     95      -5.3191      1.00000
     96      -5.0080      1.00000
     97      -4.9733      1.00000
     98      -4.9074      1.00000
     99      -4.8799      1.00000
    100      -4.2456      1.00000
    101      -4.1671      1.00000
    102      -3.9698      1.00000
    103      -3.7937      1.00000
    104      -3.6109      1.00000
    105      -3.5039      1.00000
    106      -3.3600      1.00000
    107      -1.7463      0.00000
    108      -1.5223      0.00000
    109      -1.4825      0.00000
    110      -0.7654      0.00000
    111      -0.7148      0.00000
    112      -0.7000      0.00000
    113      -0.3515      0.00000
    114      -0.3429      0.00000
    115      -0.2941      0.00000
    116      -0.2781      0.00000
    117       0.4675      0.00000
    118       0.5383      0.00000
    119       0.8222      0.00000
    120       1.0679      0.00000
    121       1.1240      0.00000
    122       1.3335      0.00000
    123       1.5347      0.00000
    124       1.5452      0.00000
    125       1.6292      0.00000
    126       1.7252      0.00000
    127       1.8638      0.00000
    128       1.9035      0.00000
    129       1.9540      0.00000
    130       2.0294      0.00000
    131       2.1534      0.00000
    132       2.2689      0.00000
    133       2.3589      0.00000
    134       2.5040      0.00000
    135       2.6307      0.00000
    136       2.6584      0.00000
    137       2.6967      0.00000
    138       2.7632      0.00000
    139       2.8984      0.00000
    140       2.9388      0.00000
    141       3.0329      0.00000
    142       3.2009      0.00000
    143       3.2249      0.00000
    144       3.2548      0.00000
    145       3.3690      0.00000
    146       3.4039      0.00000
    147       3.4742      0.00000
    148       3.5699      0.00000
    149       3.6377      0.00000
    150       3.6392      0.00000
    151       3.6666      0.00000
    152       3.7143      0.00000
    153       3.8257      0.00000
    154       3.8663      0.00000
    155       3.9209      0.00000
    156       3.9225      0.00000
    157       4.0011      0.00000
    158       4.0433      0.00000
    159       4.0897      0.00000
    160       4.0923      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0792      1.00000
      2     -21.2450      1.00000
      3     -21.1352      1.00000
      4     -21.1238      1.00000
      5     -21.1165      1.00000
      6     -21.0996      1.00000
      7     -21.0977      1.00000
      8     -19.3812      1.00000
      9     -19.3017      1.00000
     10     -19.2948      1.00000
     11     -19.2889      1.00000
     12     -19.2692      1.00000
     13     -19.2661      1.00000
     14     -18.4724      1.00000
     15     -18.4122      1.00000
     16     -18.4067      1.00000
     17     -18.3822      1.00000
     18     -18.3761      1.00000
     19     -18.3691      1.00000
     20     -16.3384      1.00000
     21     -16.2571      1.00000
     22     -16.2560      1.00000
     23     -16.2444      1.00000
     24     -16.2280      1.00000
     25     -16.2276      1.00000
     26     -15.3086      1.00000
     27     -15.2653      1.00000
     28     -15.2399      1.00000
     29     -15.2319      1.00000
     30     -15.2255      1.00000
     31     -15.2165      1.00000
     32     -13.9631      1.00000
     33     -13.9250      1.00000
     34     -13.9018      1.00000
     35     -13.8959      1.00000
     36     -13.8891      1.00000
     37     -13.8763      1.00000
     38     -11.7467      1.00000
     39     -11.5647      1.00000
     40     -11.5306      1.00000
     41     -11.5251      1.00000
     42     -11.5218      1.00000
     43     -11.5202      1.00000
     44     -11.4379      1.00000
     45     -11.4338      1.00000
     46     -11.4110      1.00000
     47     -11.3911      1.00000
     48     -11.3896      1.00000
     49     -11.3890      1.00000
     50     -11.1342      1.00000
     51     -10.2575      1.00000
     52     -10.0697      1.00000
     53     -10.0616      1.00000
     54     -10.0406      1.00000
     55     -10.0400      1.00000
     56     -10.0224      1.00000
     57      -9.9990      1.00000
     58      -9.4115      1.00000
     59      -9.1384      1.00000
     60      -9.0964      1.00000
     61      -9.0544      1.00000
     62      -9.0386      1.00000
     63      -9.0349      1.00000
     64      -8.8481      1.00000
     65      -8.7840      1.00000
     66      -8.7827      1.00000
     67      -8.7698      1.00000
     68      -8.7574      1.00000
     69      -8.7376      1.00000
     70      -8.7347      1.00000
     71      -8.7314      1.00000
     72      -8.7311      1.00000
     73      -8.7103      1.00000
     74      -8.6926      1.00000
     75      -8.6900      1.00000
     76      -7.3975      1.00000
     77      -7.2357      1.00000
     78      -7.1827      1.00000
     79      -7.1543      1.00000
     80      -7.1061      1.00000
     81      -7.1049      1.00000
     82      -7.0834      1.00000
     83      -7.0800      1.00000
     84      -6.9405      1.00000
     85      -6.9290      1.00000
     86      -6.9232      1.00000
     87      -6.9151      1.00000
     88      -6.3292      1.00000
     89      -6.2899      1.00000
     90      -6.0989      1.00000
     91      -6.0697      1.00000
     92      -6.0309      1.00000
     93      -6.0300      1.00000
     94      -5.6495      1.00000
     95      -5.6144      1.00000
     96      -4.9867      1.00000
     97      -4.6197      1.00000
     98      -4.2677      1.00000
     99      -4.2539      1.00000
    100      -4.0687      1.00000
    101      -4.0650      1.00000
    102      -4.0185      1.00000
    103      -3.8778      1.00000
    104      -3.5683      1.00000
    105      -3.4674      1.00000
    106      -3.4298      1.00000
    107      -1.8994      0.00000
    108      -1.2884      0.00000
    109      -1.2648      0.00000
    110      -1.2609      0.00000
    111      -1.2528      0.00000
    112      -1.2160      0.00000
    113      -1.0454      0.00000
    114       0.3624      0.00000
    115       0.4571      0.00000
    116       0.5336      0.00000
    117       0.5720      0.00000
    118       0.5866      0.00000
    119       0.5870      0.00000
    120       0.7583      0.00000
    121       1.2502      0.00000
    122       1.3226      0.00000
    123       1.3321      0.00000
    124       1.6617      0.00000
    125       1.9294      0.00000
    126       1.9339      0.00000
    127       1.9503      0.00000
    128       2.0223      0.00000
    129       2.1720      0.00000
    130       2.2906      0.00000
    131       2.2937      0.00000
    132       2.2949      0.00000
    133       2.2993      0.00000
    134       2.3045      0.00000
    135       2.3417      0.00000
    136       2.4072      0.00000
    137       2.5207      0.00000
    138       2.6629      0.00000
    139       2.6677      0.00000
    140       2.7140      0.00000
    141       2.7643      0.00000
    142       2.8515      0.00000
    143       2.8683      0.00000
    144       3.0079      0.00000
    145       3.0087      0.00000
    146       3.0190      0.00000
    147       3.0344      0.00000
    148       3.2827      0.00000
    149       3.4718      0.00000
    150       3.5984      0.00000
    151       3.7542      0.00000
    152       3.7635      0.00000
    153       3.9168      0.00000
    154       3.9283      0.00000
    155       3.9483      0.00000
    156       3.9810      0.00000
    157       4.1792      0.00000
    158       4.1801      0.00000
    159       4.3239      0.00000
    160       4.3288      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0422      1.00000
      2     -21.4827      1.00000
      3     -21.3007      1.00000
      4     -21.2678      1.00000
      5     -20.9317      1.00000
      6     -20.8942      1.00000
      7     -20.7200      1.00000
      8     -19.8291      1.00000
      9     -19.7892      1.00000
     10     -19.2795      1.00000
     11     -19.2494      1.00000
     12     -19.0821      1.00000
     13     -18.7586      1.00000
     14     -18.7218      1.00000
     15     -18.7112      1.00000
     16     -18.6986      1.00000
     17     -18.0334      1.00000
     18     -18.0086      1.00000
     19     -17.6865      1.00000
     20     -16.7477      1.00000
     21     -16.6922      1.00000
     22     -16.6192      1.00000
     23     -16.6037      1.00000
     24     -16.1442      1.00000
     25     -16.1232      1.00000
     26     -15.2935      1.00000
     27     -15.2654      1.00000
     28     -14.9403      1.00000
     29     -14.9011      1.00000
     30     -14.8434      1.00000
     31     -14.7635      1.00000
     32     -14.7360      1.00000
     33     -14.3749      1.00000
     34     -14.3575      1.00000
     35     -13.4120      1.00000
     36     -13.3872      1.00000
     37     -12.9091      1.00000
     38     -12.3072      1.00000
     39     -12.2529      1.00000
     40     -12.1274      1.00000
     41     -12.1087      1.00000
     42     -11.8260      1.00000
     43     -11.7747      1.00000
     44     -11.4407      1.00000
     45     -11.3495      1.00000
     46     -11.2023      1.00000
     47     -10.9018      1.00000
     48     -10.8905      1.00000
     49     -10.6873      1.00000
     50     -10.6729      1.00000
     51     -10.5939      1.00000
     52     -10.5692      1.00000
     53     -10.1911      1.00000
     54      -9.8289      1.00000
     55      -9.8189      1.00000
     56      -9.7734      1.00000
     57      -9.5761      1.00000
     58      -9.4005      1.00000
     59      -9.3722      1.00000
     60      -9.3100      1.00000
     61      -9.2835      1.00000
     62      -9.2484      1.00000
     63      -9.2036      1.00000
     64      -8.9858      1.00000
     65      -8.9754      1.00000
     66      -8.9267      1.00000
     67      -8.8823      1.00000
     68      -8.8180      1.00000
     69      -8.7831      1.00000
     70      -8.7735      1.00000
     71      -8.6105      1.00000
     72      -8.5447      1.00000
     73      -8.2971      1.00000
     74      -8.2683      1.00000
     75      -7.7841      1.00000
     76      -7.7210      1.00000
     77      -7.5665      1.00000
     78      -7.5348      1.00000
     79      -7.4339      1.00000
     80      -7.4298      1.00000
     81      -7.0734      1.00000
     82      -7.0478      1.00000
     83      -7.0207      1.00000
     84      -6.9834      1.00000
     85      -6.7928      1.00000
     86      -6.6962      1.00000
     87      -6.5529      1.00000
     88      -6.4656      1.00000
     89      -6.3664      1.00000
     90      -6.3051      1.00000
     91      -5.8412      1.00000
     92      -5.8125      1.00000
     93      -5.8019      1.00000
     94      -5.6897      1.00000
     95      -5.4783      1.00000
     96      -5.0498      1.00000
     97      -4.7419      1.00000
     98      -4.4591      1.00000
     99      -4.3725      1.00000
    100      -4.2103      1.00000
    101      -4.1663      1.00000
    102      -4.0192      1.00000
    103      -3.8292      1.00000
    104      -3.5252      1.00000
    105      -3.4564      1.00000
    106      -3.4046      1.00000
    107      -1.9191      0.00000
    108      -1.4345      0.00000
    109      -1.3137      0.00000
    110      -1.0121      0.00000
    111      -0.9750      0.00000
    112      -0.9586      0.00000
    113      -0.9103      0.00000
    114      -0.3121      0.00000
    115       0.0585      0.00000
    116       0.1049      0.00000
    117       0.7590      0.00000
    118       0.8726      0.00000
    119       1.0133      0.00000
    120       1.0790      0.00000
    121       1.2835      0.00000
    122       1.3669      0.00000
    123       1.4275      0.00000
    124       1.4951      0.00000
    125       1.5620      0.00000
    126       1.6772      0.00000
    127       1.7673      0.00000
    128       1.9642      0.00000
    129       1.9839      0.00000
    130       2.1193      0.00000
    131       2.2009      0.00000
    132       2.2625      0.00000
    133       2.3346      0.00000
    134       2.3727      0.00000
    135       2.4234      0.00000
    136       2.5426      0.00000
    137       2.7183      0.00000
    138       2.7474      0.00000
    139       2.7729      0.00000
    140       2.8280      0.00000
    141       2.8861      0.00000
    142       3.0567      0.00000
    143       3.1188      0.00000
    144       3.1256      0.00000
    145       3.1611      0.00000
    146       3.1940      0.00000
    147       3.2496      0.00000
    148       3.4236      0.00000
    149       3.4785      0.00000
    150       3.4990      0.00000
    151       3.6018      0.00000
    152       3.6080      0.00000
    153       3.7920      0.00000
    154       3.8605      0.00000
    155       3.9268      0.00000
    156       4.0300      0.00000
    157       4.1312      0.00000
    158       4.1401      0.00000
    159       4.2036      0.00000
    160       4.3006      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9338      1.00000
      2     -21.7350      1.00000
      3     -21.3771      1.00000
      4     -21.3424      1.00000
      5     -20.6384      1.00000
      6     -20.5980      1.00000
      7     -20.2754      1.00000
      8     -20.2355      1.00000
      9     -20.2260      1.00000
     10     -19.6950      1.00000
     11     -19.1756      1.00000
     12     -19.1424      1.00000
     13     -18.9764      1.00000
     14     -18.9574      1.00000
     15     -18.1164      1.00000
     16     -18.0726      1.00000
     17     -17.6000      1.00000
     18     -17.5704      1.00000
     19     -17.4286      1.00000
     20     -17.3883      1.00000
     21     -17.1115      1.00000
     22     -17.0887      1.00000
     23     -17.0109      1.00000
     24     -16.1397      1.00000
     25     -16.1196      1.00000
     26     -15.6253      1.00000
     27     -15.0943      1.00000
     28     -15.0677      1.00000
     29     -14.7764      1.00000
     30     -14.7529      1.00000
     31     -14.5436      1.00000
     32     -14.5105      1.00000
     33     -13.9603      1.00000
     34     -13.9241      1.00000
     35     -13.1175      1.00000
     36     -13.0721      1.00000
     37     -12.8679      1.00000
     38     -12.8386      1.00000
     39     -12.6454      1.00000
     40     -12.6308      1.00000
     41     -12.3093      1.00000
     42     -12.2766      1.00000
     43     -11.8797      1.00000
     44     -11.3706      1.00000
     45     -11.2062      1.00000
     46     -11.1532      1.00000
     47     -10.9597      1.00000
     48     -10.9500      1.00000
     49     -10.8109      1.00000
     50     -10.3498      1.00000
     51     -10.3341      1.00000
     52     -10.0951      1.00000
     53      -9.9897      1.00000
     54      -9.9840      1.00000
     55      -9.8429      1.00000
     56      -9.7868      1.00000
     57      -9.7814      1.00000
     58      -9.4634      1.00000
     59      -9.4459      1.00000
     60      -9.4003      1.00000
     61      -9.3704      1.00000
     62      -9.3540      1.00000
     63      -9.3232      1.00000
     64      -9.0335      1.00000
     65      -9.0212      1.00000
     66      -8.9873      1.00000
     67      -8.7025      1.00000
     68      -8.6349      1.00000
     69      -8.5446      1.00000
     70      -8.4770      1.00000
     71      -8.2738      1.00000
     72      -8.1902      1.00000
     73      -8.0708      1.00000
     74      -8.0559      1.00000
     75      -8.0117      1.00000
     76      -7.9576      1.00000
     77      -7.9338      1.00000
     78      -7.9267      1.00000
     79      -7.9048      1.00000
     80      -7.4692      1.00000
     81      -7.0717      1.00000
     82      -7.0297      1.00000
     83      -7.0197      1.00000
     84      -6.9191      1.00000
     85      -6.8966      1.00000
     86      -6.6634      1.00000
     87      -6.6550      1.00000
     88      -6.3050      1.00000
     89      -6.2426      1.00000
     90      -5.9756      1.00000
     91      -5.9099      1.00000
     92      -5.7346      1.00000
     93      -5.5217      1.00000
     94      -5.3945      1.00000
     95      -5.2322      1.00000
     96      -5.0660      1.00000
     97      -5.0026      1.00000
     98      -4.9021      1.00000
     99      -4.9008      1.00000
    100      -4.3198      1.00000
    101      -4.1621      1.00000
    102      -4.0613      1.00000
    103      -3.7730      1.00000
    104      -3.5607      1.00000
    105      -3.3585      1.00000
    106      -3.3484      1.00000
    107      -1.9433      0.00000
    108      -1.5318      0.00000
    109      -1.3410      0.00000
    110      -0.8300      0.00000
    111      -0.7070      0.00000
    112      -0.6614      0.00000
    113      -0.3480      0.00000
    114      -0.3127      0.00000
    115      -0.3023      0.00000
    116      -0.2836      0.00000
    117       0.4533      0.00000
    118       0.5384      0.00000
    119       0.8215      0.00000
    120       1.0779      0.00000
    121       1.1347      0.00000
    122       1.4148      0.00000
    123       1.5057      0.00000
    124       1.5558      0.00000
    125       1.6060      0.00000
    126       1.7076      0.00000
    127       1.8672      0.00000
    128       1.8941      0.00000
    129       1.9483      0.00000
    130       2.0557      0.00000
    131       2.0961      0.00000
    132       2.1989      0.00000
    133       2.3576      0.00000
    134       2.5203      0.00000
    135       2.6299      0.00000
    136       2.6579      0.00000
    137       2.7131      0.00000
    138       2.7601      0.00000
    139       2.9023      0.00000
    140       2.9675      0.00000
    141       3.0330      0.00000
    142       3.2013      0.00000
    143       3.2257      0.00000
    144       3.2563      0.00000
    145       3.3792      0.00000
    146       3.4169      0.00000
    147       3.4733      0.00000
    148       3.5396      0.00000
    149       3.6191      0.00000
    150       3.6482      0.00000
    151       3.6821      0.00000
    152       3.7105      0.00000
    153       3.8255      0.00000
    154       3.8972      0.00000
    155       3.9223      0.00000
    156       3.9386      0.00000
    157       3.9931      0.00000
    158       4.0251      0.00000
    159       4.1012      0.00000
    160       4.1080      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9691      1.00000
      2     -21.6104      1.00000
      3     -21.5613      1.00000
      4     -21.0369      1.00000
      5     -21.0133      1.00000
      6     -20.4914      1.00000
      7     -20.4437      1.00000
      8     -20.2841      1.00000
      9     -19.7354      1.00000
     10     -19.7337      1.00000
     11     -19.3787      1.00000
     12     -19.3571      1.00000
     13     -18.6577      1.00000
     14     -18.6540      1.00000
     15     -18.3031      1.00000
     16     -18.2916      1.00000
     17     -18.1249      1.00000
     18     -17.3544      1.00000
     19     -17.2927      1.00000
     20     -17.2803      1.00000
     21     -17.2537      1.00000
     22     -16.7878      1.00000
     23     -16.7733      1.00000
     24     -16.6268      1.00000
     25     -15.6632      1.00000
     26     -15.6069      1.00000
     27     -15.2524      1.00000
     28     -15.2419      1.00000
     29     -14.9728      1.00000
     30     -14.5294      1.00000
     31     -14.4991      1.00000
     32     -14.2525      1.00000
     33     -14.2126      1.00000
     34     -13.8387      1.00000
     35     -13.8317      1.00000
     36     -12.8130      1.00000
     37     -12.7583      1.00000
     38     -12.7177      1.00000
     39     -12.6938      1.00000
     40     -12.3880      1.00000
     41     -12.3795      1.00000
     42     -12.0063      1.00000
     43     -11.9802      1.00000
     44     -11.4425      1.00000
     45     -11.3054      1.00000
     46     -11.2438      1.00000
     47     -11.1244      1.00000
     48     -10.6056      1.00000
     49     -10.5911      1.00000
     50     -10.3040      1.00000
     51     -10.2912      1.00000
     52     -10.1716      1.00000
     53     -10.1703      1.00000
     54     -10.1123      1.00000
     55     -10.0997      1.00000
     56     -10.0225      1.00000
     57      -9.7104      1.00000
     58      -9.5819      1.00000
     59      -9.2849      1.00000
     60      -9.2276      1.00000
     61      -9.1518      1.00000
     62      -9.0825      1.00000
     63      -9.0657      1.00000
     64      -9.0453      1.00000
     65      -8.9988      1.00000
     66      -8.9679      1.00000
     67      -8.8615      1.00000
     68      -8.8278      1.00000
     69      -8.7831      1.00000
     70      -8.5357      1.00000
     71      -8.5291      1.00000
     72      -8.3977      1.00000
     73      -8.2800      1.00000
     74      -8.1260      1.00000
     75      -7.8828      1.00000
     76      -7.8452      1.00000
     77      -7.6009      1.00000
     78      -7.5350      1.00000
     79      -7.5036      1.00000
     80      -7.4998      1.00000
     81      -7.3867      1.00000
     82      -7.3762      1.00000
     83      -7.1325      1.00000
     84      -7.0767      1.00000
     85      -6.6052      1.00000
     86      -6.5814      1.00000
     87      -6.4816      1.00000
     88      -6.3522      1.00000
     89      -6.1147      1.00000
     90      -6.0518      1.00000
     91      -5.9791      1.00000
     92      -5.8983      1.00000
     93      -5.7320      1.00000
     94      -5.3408      1.00000
     95      -5.1660      1.00000
     96      -5.1261      1.00000
     97      -5.0549      1.00000
     98      -4.9025      1.00000
     99      -4.4514      1.00000
    100      -4.3960      1.00000
    101      -4.1603      1.00000
    102      -4.0371      1.00000
    103      -3.9399      1.00000
    104      -3.5540      1.00000
    105      -3.4898      1.00000
    106      -3.0590      1.00000
    107      -2.1234      0.00000
    108      -1.6021      0.00000
    109      -0.9392      0.00000
    110      -0.9073      0.00000
    111      -0.8422      0.00000
    112      -0.6370      0.00000
    113      -0.6281      0.00000
    114      -0.4965      0.00000
    115      -0.4840      0.00000
    116       0.4893      0.00000
    117       0.4929      0.00000
    118       0.5881      0.00000
    119       0.7906      0.00000
    120       1.0278      0.00000
    121       1.0830      0.00000
    122       1.2920      0.00000
    123       1.3023      0.00000
    124       1.4752      0.00000
    125       1.6350      0.00000
    126       1.7156      0.00000
    127       1.8419      0.00000
    128       2.0130      0.00000
    129       2.0606      0.00000
    130       2.0909      0.00000
    131       2.1698      0.00000
    132       2.3058      0.00000
    133       2.3580      0.00000
    134       2.4547      0.00000
    135       2.5466      0.00000
    136       2.7458      0.00000
    137       2.8050      0.00000
    138       2.8425      0.00000
    139       2.8841      0.00000
    140       2.9054      0.00000
    141       3.0569      0.00000
    142       3.0591      0.00000
    143       3.1303      0.00000
    144       3.1743      0.00000
    145       3.2656      0.00000
    146       3.3025      0.00000
    147       3.3711      0.00000
    148       3.4830      0.00000
    149       3.5847      0.00000
    150       3.6022      0.00000
    151       3.6834      0.00000
    152       3.6995      0.00000
    153       3.8046      0.00000
    154       3.9053      0.00000
    155       3.9628      0.00000
    156       3.9862      0.00000
    157       4.0024      0.00000
    158       4.1009      0.00000
    159       4.1679      0.00000
    160       4.1724      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8532      1.00000
      2     -21.7807      1.00000
      3     -21.6179      1.00000
      4     -21.0632      1.00000
      5     -20.7116      1.00000
      6     -20.6700      1.00000
      7     -20.1635      1.00000
      8     -20.1172      1.00000
      9     -19.9629      1.00000
     10     -19.9330      1.00000
     11     -19.6147      1.00000
     12     -19.5570      1.00000
     13     -18.5434      1.00000
     14     -18.4800      1.00000
     15     -18.0275      1.00000
     16     -17.9627      1.00000
     17     -17.8246      1.00000
     18     -17.7957      1.00000
     19     -17.4987      1.00000
     20     -17.4480      1.00000
     21     -16.9314      1.00000
     22     -16.9016      1.00000
     23     -16.8382      1.00000
     24     -16.7978      1.00000
     25     -15.7652      1.00000
     26     -15.5636      1.00000
     27     -15.5294      1.00000
     28     -15.4974      1.00000
     29     -14.9159      1.00000
     30     -14.2365      1.00000
     31     -14.1908      1.00000
     32     -13.9603      1.00000
     33     -13.6358      1.00000
     34     -13.6255      1.00000
     35     -13.4982      1.00000
     36     -13.4729      1.00000
     37     -13.2961      1.00000
     38     -13.2351      1.00000
     39     -13.0280      1.00000
     40     -12.2922      1.00000
     41     -11.8999      1.00000
     42     -11.8020      1.00000
     43     -11.7521      1.00000
     44     -11.6882      1.00000
     45     -11.3973      1.00000
     46     -11.3263      1.00000
     47     -11.1842      1.00000
     48     -10.8048      1.00000
     49     -10.7884      1.00000
     50     -10.4582      1.00000
     51     -10.4026      1.00000
     52     -10.0297      1.00000
     53      -9.8925      1.00000
     54      -9.8741      1.00000
     55      -9.8356      1.00000
     56      -9.6900      1.00000
     57      -9.6837      1.00000
     58      -9.6473      1.00000
     59      -9.4835      1.00000
     60      -9.4674      1.00000
     61      -9.4426      1.00000
     62      -9.4311      1.00000
     63      -9.1289      1.00000
     64      -9.0363      1.00000
     65      -8.7661      1.00000
     66      -8.7420      1.00000
     67      -8.7038      1.00000
     68      -8.6013      1.00000
     69      -8.5432      1.00000
     70      -8.3974      1.00000
     71      -8.3696      1.00000
     72      -8.2529      1.00000
     73      -8.2134      1.00000
     74      -8.1594      1.00000
     75      -8.1331      1.00000
     76      -8.0411      1.00000
     77      -7.9102      1.00000
     78      -7.7671      1.00000
     79      -7.7048      1.00000
     80      -7.5847      1.00000
     81      -7.4405      1.00000
     82      -7.2889      1.00000
     83      -7.2102      1.00000
     84      -6.6981      1.00000
     85      -6.6102      1.00000
     86      -6.5567      1.00000
     87      -6.4520      1.00000
     88      -6.2419      1.00000
     89      -6.1658      1.00000
     90      -6.1015      1.00000
     91      -5.9062      1.00000
     92      -5.6743      1.00000
     93      -5.5120      1.00000
     94      -5.4704      1.00000
     95      -5.2748      1.00000
     96      -5.1177      1.00000
     97      -4.9392      1.00000
     98      -4.9062      1.00000
     99      -4.9013      1.00000
    100      -4.4890      1.00000
    101      -4.1606      1.00000
    102      -4.0469      1.00000
    103      -3.9270      1.00000
    104      -3.5719      1.00000
    105      -3.5151      1.00000
    106      -2.8578      1.00000
    107      -2.2505      0.00000
    108      -1.6804      0.00000
    109      -0.9101      0.00000
    110      -0.8648      0.00000
    111      -0.8609      0.00000
    112      -0.7835      0.00000
    113      -0.1996      0.00000
    114      -0.1667      0.00000
    115      -0.0195      0.00000
    116       0.0028      0.00000
    117       0.2429      0.00000
    118       0.3238      0.00000
    119       0.7702      0.00000
    120       0.8566      0.00000
    121       0.9372      0.00000
    122       1.0583      0.00000
    123       1.2833      0.00000
    124       1.5164      0.00000
    125       1.5907      0.00000
    126       1.6770      0.00000
    127       1.9592      0.00000
    128       2.0292      0.00000
    129       2.0695      0.00000
    130       2.1289      0.00000
    131       2.3089      0.00000
    132       2.3728      0.00000
    133       2.4832      0.00000
    134       2.5804      0.00000
    135       2.6720      0.00000
    136       2.7608      0.00000
    137       2.9360      0.00000
    138       2.9906      0.00000
    139       3.0371      0.00000
    140       3.0601      0.00000
    141       3.1482      0.00000
    142       3.1659      0.00000
    143       3.1831      0.00000
    144       3.2197      0.00000
    145       3.3339      0.00000
    146       3.3964      0.00000
    147       3.4491      0.00000
    148       3.4704      0.00000
    149       3.4965      0.00000
    150       3.5464      0.00000
    151       3.5818      0.00000
    152       3.6002      0.00000
    153       3.6357      0.00000
    154       3.6977      0.00000
    155       3.7881      0.00000
    156       3.8947      0.00000
    157       3.9495      0.00000
    158       4.0435      0.00000
    159       4.1910      0.00000
    160       4.2049      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9686      1.00000
      2     -21.6166      1.00000
      3     -21.5553      1.00000
      4     -21.0458      1.00000
      5     -21.0042      1.00000
      6     -20.4969      1.00000
      7     -20.4378      1.00000
      8     -20.2832      1.00000
      9     -19.7564      1.00000
     10     -19.7156      1.00000
     11     -19.3851      1.00000
     12     -19.3485      1.00000
     13     -18.6788      1.00000
     14     -18.6351      1.00000
     15     -18.3217      1.00000
     16     -18.2756      1.00000
     17     -18.1240      1.00000
     18     -17.3428      1.00000
     19     -17.2989      1.00000
     20     -17.2724      1.00000
     21     -17.2462      1.00000
     22     -16.8132      1.00000
     23     -16.7576      1.00000
     24     -16.6408      1.00000
     25     -15.6879      1.00000
     26     -15.5784      1.00000
     27     -15.2737      1.00000
     28     -15.2345      1.00000
     29     -14.9414      1.00000
     30     -14.5597      1.00000
     31     -14.4924      1.00000
     32     -14.2471      1.00000
     33     -14.2056      1.00000
     34     -13.8363      1.00000
     35     -13.8253      1.00000
     36     -12.8642      1.00000
     37     -12.7592      1.00000
     38     -12.6984      1.00000
     39     -12.6840      1.00000
     40     -12.4090      1.00000
     41     -12.3606      1.00000
     42     -12.0073      1.00000
     43     -11.9848      1.00000
     44     -11.3774      1.00000
     45     -11.2928      1.00000
     46     -11.2338      1.00000
     47     -11.1806      1.00000
     48     -10.6054      1.00000
     49     -10.5899      1.00000
     50     -10.3394      1.00000
     51     -10.2653      1.00000
     52     -10.2127      1.00000
     53     -10.1688      1.00000
     54     -10.1273      1.00000
     55     -10.0735      1.00000
     56     -10.0219      1.00000
     57      -9.7123      1.00000
     58      -9.5770      1.00000
     59      -9.2889      1.00000
     60      -9.2237      1.00000
     61      -9.1300      1.00000
     62      -9.0981      1.00000
     63      -9.0744      1.00000
     64      -9.0442      1.00000
     65      -9.0058      1.00000
     66      -8.9535      1.00000
     67      -8.8423      1.00000
     68      -8.8000      1.00000
     69      -8.7810      1.00000
     70      -8.5423      1.00000
     71      -8.5325      1.00000
     72      -8.4108      1.00000
     73      -8.2698      1.00000
     74      -8.1546      1.00000
     75      -7.8757      1.00000
     76      -7.8466      1.00000
     77      -7.6334      1.00000
     78      -7.5402      1.00000
     79      -7.5029      1.00000
     80      -7.4522      1.00000
     81      -7.3951      1.00000
     82      -7.3600      1.00000
     83      -7.1624      1.00000
     84      -7.0495      1.00000
     85      -6.6266      1.00000
     86      -6.5864      1.00000
     87      -6.4938      1.00000
     88      -6.3061      1.00000
     89      -6.0973      1.00000
     90      -6.0434      1.00000
     91      -5.9815      1.00000
     92      -5.8757      1.00000
     93      -5.7956      1.00000
     94      -5.4810      1.00000
     95      -5.2692      1.00000
     96      -5.0630      1.00000
     97      -4.9039      1.00000
     98      -4.7696      1.00000
     99      -4.5157      1.00000
    100      -4.4349      1.00000
    101      -4.1740      1.00000
    102      -4.0049      1.00000
    103      -3.8634      1.00000
    104      -3.5957      1.00000
    105      -3.5213      1.00000
    106      -3.1682      1.00000
    107      -1.9278      0.00000
    108      -1.6945      0.00000
    109      -0.9867      0.00000
    110      -0.8968      0.00000
    111      -0.8731      0.00000
    112      -0.6339      0.00000
    113      -0.5809      0.00000
    114      -0.4929      0.00000
    115      -0.4662      0.00000
    116       0.3742      0.00000
    117       0.5307      0.00000
    118       0.5761      0.00000
    119       0.8129      0.00000
    120       1.0914      0.00000
    121       1.0985      0.00000
    122       1.2244      0.00000
    123       1.3542      0.00000
    124       1.4701      0.00000
    125       1.5993      0.00000
    126       1.7397      0.00000
    127       1.8399      0.00000
    128       1.9999      0.00000
    129       2.0677      0.00000
    130       2.0942      0.00000
    131       2.1597      0.00000
    132       2.3477      0.00000
    133       2.3667      0.00000
    134       2.4609      0.00000
    135       2.5061      0.00000
    136       2.7534      0.00000
    137       2.8034      0.00000
    138       2.8427      0.00000
    139       2.8769      0.00000
    140       2.9150      0.00000
    141       3.0384      0.00000
    142       3.0547      0.00000
    143       3.1346      0.00000
    144       3.1726      0.00000
    145       3.2691      0.00000
    146       3.3114      0.00000
    147       3.3817      0.00000
    148       3.4833      0.00000
    149       3.5727      0.00000
    150       3.6128      0.00000
    151       3.6850      0.00000
    152       3.6981      0.00000
    153       3.8003      0.00000
    154       3.9103      0.00000
    155       3.9353      0.00000
    156       3.9909      0.00000
    157       4.0046      0.00000
    158       4.1122      0.00000
    159       4.1358      0.00000
    160       4.1636      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0421      1.00000
      2     -21.4845      1.00000
      3     -21.2967      1.00000
      4     -21.2695      1.00000
      5     -20.9315      1.00000
      6     -20.8966      1.00000
      7     -20.7181      1.00000
      8     -19.8277      1.00000
      9     -19.7907      1.00000
     10     -19.2806      1.00000
     11     -19.2527      1.00000
     12     -19.0764      1.00000
     13     -18.7658      1.00000
     14     -18.7238      1.00000
     15     -18.7064      1.00000
     16     -18.6966      1.00000
     17     -18.0336      1.00000
     18     -18.0123      1.00000
     19     -17.6790      1.00000
     20     -16.7376      1.00000
     21     -16.6913      1.00000
     22     -16.6237      1.00000
     23     -16.6061      1.00000
     24     -16.1603      1.00000
     25     -16.1274      1.00000
     26     -15.2792      1.00000
     27     -15.2614      1.00000
     28     -14.9065      1.00000
     29     -14.8982      1.00000
     30     -14.8737      1.00000
     31     -14.7789      1.00000
     32     -14.7344      1.00000
     33     -14.3739      1.00000
     34     -14.3551      1.00000
     35     -13.4087      1.00000
     36     -13.3829      1.00000
     37     -12.9137      1.00000
     38     -12.3486      1.00000
     39     -12.2485      1.00000
     40     -12.1270      1.00000
     41     -12.1139      1.00000
     42     -11.7814      1.00000
     43     -11.7637      1.00000
     44     -11.3911      1.00000
     45     -11.3622      1.00000
     46     -11.2617      1.00000
     47     -10.9006      1.00000
     48     -10.8954      1.00000
     49     -10.6761      1.00000
     50     -10.6737      1.00000
     51     -10.5982      1.00000
     52     -10.5571      1.00000
     53     -10.1994      1.00000
     54      -9.8749      1.00000
     55      -9.8200      1.00000
     56      -9.7597      1.00000
     57      -9.5683      1.00000
     58      -9.3689      1.00000
     59      -9.3568      1.00000
     60      -9.3250      1.00000
     61      -9.2993      1.00000
     62      -9.2349      1.00000
     63      -9.1988      1.00000
     64      -8.9944      1.00000
     65      -8.9698      1.00000
     66      -8.9203      1.00000
     67      -8.9074      1.00000
     68      -8.8003      1.00000
     69      -8.7892      1.00000
     70      -8.7781      1.00000
     71      -8.6121      1.00000
     72      -8.5439      1.00000
     73      -8.2728      1.00000
     74      -8.2644      1.00000
     75      -7.8174      1.00000
     76      -7.7250      1.00000
     77      -7.5756      1.00000
     78      -7.5000      1.00000
     79      -7.4592      1.00000
     80      -7.4204      1.00000
     81      -7.1395      1.00000
     82      -6.9911      1.00000
     83      -6.9685      1.00000
     84      -6.9390      1.00000
     85      -6.8824      1.00000
     86      -6.6808      1.00000
     87      -6.5609      1.00000
     88      -6.4402      1.00000
     89      -6.3908      1.00000
     90      -6.3072      1.00000
     91      -5.8647      1.00000
     92      -5.7919      1.00000
     93      -5.7694      1.00000
     94      -5.6548      1.00000
     95      -5.5963      1.00000
     96      -5.0447      1.00000
     97      -4.6205      1.00000
     98      -4.5249      1.00000
     99      -4.3634      1.00000
    100      -4.2397      1.00000
    101      -4.1833      1.00000
    102      -3.8327      1.00000
    103      -3.8015      1.00000
    104      -3.7314      1.00000
    105      -3.4524      1.00000
    106      -3.4226      1.00000
    107      -1.8109      0.00000
    108      -1.4355      0.00000
    109      -1.3860      0.00000
    110      -1.0268      0.00000
    111      -1.0025      0.00000
    112      -0.9784      0.00000
    113      -0.8550      0.00000
    114      -0.2673      0.00000
    115       0.0424      0.00000
    116       0.0723      0.00000
    117       0.7424      0.00000
    118       0.9082      0.00000
    119       0.9324      0.00000
    120       1.2035      0.00000
    121       1.2650      0.00000
    122       1.3552      0.00000
    123       1.4305      0.00000
    124       1.4729      0.00000
    125       1.5468      0.00000
    126       1.6861      0.00000
    127       1.7650      0.00000
    128       1.9615      0.00000
    129       1.9790      0.00000
    130       2.1665      0.00000
    131       2.1999      0.00000
    132       2.2330      0.00000
    133       2.3319      0.00000
    134       2.3852      0.00000
    135       2.4224      0.00000
    136       2.5461      0.00000
    137       2.7159      0.00000
    138       2.7444      0.00000
    139       2.7823      0.00000
    140       2.8151      0.00000
    141       2.8770      0.00000
    142       3.0463      0.00000
    143       3.1298      0.00000
    144       3.1491      0.00000
    145       3.1722      0.00000
    146       3.2212      0.00000
    147       3.2335      0.00000
    148       3.4215      0.00000
    149       3.4240      0.00000
    150       3.5010      0.00000
    151       3.6052      0.00000
    152       3.6088      0.00000
    153       3.7896      0.00000
    154       3.8597      0.00000
    155       3.9239      0.00000
    156       4.0040      0.00000
    157       4.1355      0.00000
    158       4.1589      0.00000
    159       4.2088      0.00000
    160       4.3160      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8493      1.00000
      2     -21.7865      1.00000
      3     -21.6160      1.00000
      4     -21.0637      1.00000
      5     -20.7021      1.00000
      6     -20.6793      1.00000
      7     -20.1536      1.00000
      8     -20.1277      1.00000
      9     -19.9481      1.00000
     10     -19.9472      1.00000
     11     -19.6082      1.00000
     12     -19.5635      1.00000
     13     -18.5436      1.00000
     14     -18.4870      1.00000
     15     -17.9969      1.00000
     16     -17.9821      1.00000
     17     -17.8150      1.00000
     18     -17.8093      1.00000
     19     -17.4782      1.00000
     20     -17.4634      1.00000
     21     -16.9356      1.00000
     22     -16.9080      1.00000
     23     -16.8229      1.00000
     24     -16.8032      1.00000
     25     -15.7937      1.00000
     26     -15.5341      1.00000
     27     -15.5321      1.00000
     28     -15.5158      1.00000
     29     -14.8932      1.00000
     30     -14.2226      1.00000
     31     -14.2019      1.00000
     32     -13.9387      1.00000
     33     -13.6696      1.00000
     34     -13.6288      1.00000
     35     -13.4970      1.00000
     36     -13.4822      1.00000
     37     -13.2727      1.00000
     38     -13.2448      1.00000
     39     -13.0320      1.00000
     40     -12.3176      1.00000
     41     -11.8414      1.00000
     42     -11.8276      1.00000
     43     -11.7229      1.00000
     44     -11.6875      1.00000
     45     -11.4149      1.00000
     46     -11.3430      1.00000
     47     -11.1751      1.00000
     48     -10.8057      1.00000
     49     -10.7963      1.00000
     50     -10.4583      1.00000
     51     -10.4030      1.00000
     52     -10.0392      1.00000
     53      -9.8794      1.00000
     54      -9.8701      1.00000
     55      -9.8507      1.00000
     56      -9.7021      1.00000
     57      -9.6640      1.00000
     58      -9.6476      1.00000
     59      -9.4950      1.00000
     60      -9.4675      1.00000
     61      -9.4447      1.00000
     62      -9.4336      1.00000
     63      -9.1295      1.00000
     64      -9.0331      1.00000
     65      -8.7667      1.00000
     66      -8.7311      1.00000
     67      -8.6733      1.00000
     68      -8.6310      1.00000
     69      -8.5357      1.00000
     70      -8.3819      1.00000
     71      -8.3736      1.00000
     72      -8.2421      1.00000
     73      -8.2214      1.00000
     74      -8.1343      1.00000
     75      -8.1342      1.00000
     76      -8.0100      1.00000
     77      -7.9745      1.00000
     78      -7.7677      1.00000
     79      -7.7294      1.00000
     80      -7.6250      1.00000
     81      -7.3739      1.00000
     82      -7.2946      1.00000
     83      -7.1861      1.00000
     84      -6.7398      1.00000
     85      -6.6329      1.00000
     86      -6.5624      1.00000
     87      -6.3090      1.00000
     88      -6.2302      1.00000
     89      -6.1672      1.00000
     90      -6.1358      1.00000
     91      -6.0569      1.00000
     92      -5.6747      1.00000
     93      -5.4877      1.00000
     94      -5.4526      1.00000
     95      -5.2998      1.00000
     96      -5.0920      1.00000
     97      -4.9196      1.00000
     98      -4.9106      1.00000
     99      -4.8771      1.00000
    100      -4.4595      1.00000
    101      -4.1502      1.00000
    102      -4.0226      1.00000
    103      -3.9544      1.00000
    104      -3.5847      1.00000
    105      -3.5331      1.00000
    106      -2.9597      1.00000
    107      -2.1051      0.00000
    108      -1.7298      0.00000
    109      -0.8669      0.00000
    110      -0.8644      0.00000
    111      -0.8571      0.00000
    112      -0.8324      0.00000
    113      -0.1876      0.00000
    114      -0.1723      0.00000
    115      -0.0398      0.00000
    116      -0.0167      0.00000
    117       0.2954      0.00000
    118       0.3020      0.00000
    119       0.7488      0.00000
    120       0.8491      0.00000
    121       0.9899      0.00000
    122       1.0300      0.00000
    123       1.2445      0.00000
    124       1.5718      0.00000
    125       1.5771      0.00000
    126       1.6555      0.00000
    127       1.9652      0.00000
    128       2.0370      0.00000
    129       2.0675      0.00000
    130       2.1370      0.00000
    131       2.3068      0.00000
    132       2.3736      0.00000
    133       2.5391      0.00000
    134       2.5552      0.00000
    135       2.6560      0.00000
    136       2.8276      0.00000
    137       2.9310      0.00000
    138       2.9609      0.00000
    139       3.0270      0.00000
    140       3.0603      0.00000
    141       3.1206      0.00000
    142       3.1620      0.00000
    143       3.1988      0.00000
    144       3.2145      0.00000
    145       3.3364      0.00000
    146       3.3914      0.00000
    147       3.4339      0.00000
    148       3.4724      0.00000
    149       3.5060      0.00000
    150       3.5452      0.00000
    151       3.5620      0.00000
    152       3.5843      0.00000
    153       3.6340      0.00000
    154       3.6845      0.00000
    155       3.8052      0.00000
    156       3.9160      0.00000
    157       3.9489      0.00000
    158       4.0431      0.00000
    159       4.1790      0.00000
    160       4.1981      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9326      1.00000
      2     -21.7374      1.00000
      3     -21.3739      1.00000
      4     -21.3443      1.00000
      5     -20.6368      1.00000
      6     -20.5998      1.00000
      7     -20.2668      1.00000
      8     -20.2388      1.00000
      9     -20.2305      1.00000
     10     -19.6945      1.00000
     11     -19.1730      1.00000
     12     -19.1445      1.00000
     13     -18.9777      1.00000
     14     -18.9630      1.00000
     15     -18.1081      1.00000
     16     -18.0731      1.00000
     17     -17.5988      1.00000
     18     -17.5745      1.00000
     19     -17.4242      1.00000
     20     -17.3872      1.00000
     21     -17.1127      1.00000
     22     -17.0907      1.00000
     23     -17.0014      1.00000
     24     -16.1589      1.00000
     25     -16.1228      1.00000
     26     -15.6402      1.00000
     27     -15.0826      1.00000
     28     -15.0640      1.00000
     29     -14.7717      1.00000
     30     -14.7495      1.00000
     31     -14.5125      1.00000
     32     -14.5057      1.00000
     33     -13.9889      1.00000
     34     -13.9213      1.00000
     35     -13.1474      1.00000
     36     -13.0682      1.00000
     37     -12.8578      1.00000
     38     -12.8332      1.00000
     39     -12.6608      1.00000
     40     -12.6389      1.00000
     41     -12.2925      1.00000
     42     -12.2697      1.00000
     43     -11.8831      1.00000
     44     -11.2728      1.00000
     45     -11.2500      1.00000
     46     -11.1801      1.00000
     47     -10.9825      1.00000
     48     -10.9402      1.00000
     49     -10.8092      1.00000
     50     -10.3766      1.00000
     51     -10.3359      1.00000
     52     -10.0936      1.00000
     53      -9.9844      1.00000
     54      -9.9841      1.00000
     55      -9.8560      1.00000
     56      -9.7970      1.00000
     57      -9.7638      1.00000
     58      -9.4807      1.00000
     59      -9.4202      1.00000
     60      -9.3898      1.00000
     61      -9.3755      1.00000
     62      -9.3675      1.00000
     63      -9.3198      1.00000
     64      -9.0360      1.00000
     65      -9.0204      1.00000
     66      -8.9899      1.00000
     67      -8.6545      1.00000
     68      -8.6351      1.00000
     69      -8.5808      1.00000
     70      -8.4578      1.00000
     71      -8.2630      1.00000
     72      -8.1969      1.00000
     73      -8.0972      1.00000
     74      -8.0595      1.00000
     75      -7.9730      1.00000
     76      -7.9678      1.00000
     77      -7.9325      1.00000
     78      -7.9130      1.00000
     79      -7.9023      1.00000
     80      -7.4899      1.00000
     81      -7.2152      1.00000
     82      -7.0244      1.00000
     83      -6.9403      1.00000
     84      -6.8758      1.00000
     85      -6.8232      1.00000
     86      -6.6739      1.00000
     87      -6.6341      1.00000
     88      -6.2886      1.00000
     89      -6.2627      1.00000
     90      -6.1413      1.00000
     91      -5.9485      1.00000
     92      -5.6322      1.00000
     93      -5.5178      1.00000
     94      -5.3930      1.00000
     95      -5.3191      1.00000
     96      -5.0080      1.00000
     97      -4.9733      1.00000
     98      -4.9074      1.00000
     99      -4.8799      1.00000
    100      -4.2456      1.00000
    101      -4.1671      1.00000
    102      -3.9698      1.00000
    103      -3.7937      1.00000
    104      -3.6109      1.00000
    105      -3.5039      1.00000
    106      -3.3600      1.00000
    107      -1.7463      0.00000
    108      -1.5223      0.00000
    109      -1.4825      0.00000
    110      -0.7654      0.00000
    111      -0.7148      0.00000
    112      -0.7000      0.00000
    113      -0.3515      0.00000
    114      -0.3429      0.00000
    115      -0.2941      0.00000
    116      -0.2781      0.00000
    117       0.4675      0.00000
    118       0.5383      0.00000
    119       0.8222      0.00000
    120       1.0679      0.00000
    121       1.1240      0.00000
    122       1.3335      0.00000
    123       1.5347      0.00000
    124       1.5452      0.00000
    125       1.6292      0.00000
    126       1.7252      0.00000
    127       1.8638      0.00000
    128       1.9035      0.00000
    129       1.9541      0.00000
    130       2.0294      0.00000
    131       2.1535      0.00000
    132       2.2689      0.00000
    133       2.3589      0.00000
    134       2.5040      0.00000
    135       2.6307      0.00000
    136       2.6584      0.00000
    137       2.6967      0.00000
    138       2.7632      0.00000
    139       2.8984      0.00000
    140       2.9388      0.00000
    141       3.0329      0.00000
    142       3.2010      0.00000
    143       3.2249      0.00000
    144       3.2548      0.00000
    145       3.3690      0.00000
    146       3.4039      0.00000
    147       3.4742      0.00000
    148       3.5699      0.00000
    149       3.6377      0.00000
    150       3.6392      0.00000
    151       3.6666      0.00000
    152       3.7143      0.00000
    153       3.8257      0.00000
    154       3.8663      0.00000
    155       3.9209      0.00000
    156       3.9225      0.00000
    157       4.0011      0.00000
    158       4.0433      0.00000
    159       4.0897      0.00000
    160       4.0923      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8851   -7.1177    4.1305   -1.3434   -0.2918   17.9333   -0.2856   -0.0282    0.1587   -0.1181
x    -3.2528   -0.0116   -0.0004   -0.0470    0.1022   -3.0477    0.0185   -0.0217    0.0097    0.0027
x    -0.0997    0.0018   -0.0004   -0.0003    0.0005   -0.0235   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8851    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0008    0.0009    0.0036   -0.0998   -0.0414    0.0831    0.0203
y     0.0043   -3.2708   -0.0619    0.2284   -2.3991   -0.6402
z   203.8851    1.5040    0.2848    0.1082    0.0443    0.0805   -0.0027   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0857    0.0043   -0.0014    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4401
z    -0.4209    0.1512    0.0490    0.1381   -0.0842    0.0003
 total charge-density along one line
x   212.0000  -10.0911    6.1815   -2.2003   -0.5432   19.9228   -1.5335    1.0929   -0.6229    0.2968
x    -2.8496    0.0060    0.0200   -0.0537    0.0874   -2.3194    0.0254   -0.0279    0.0131    0.0038
x    -0.0939    0.0073   -0.0047    0.0021   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
x    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
x    -0.0004    0.0000    0.0000    0.0000    0.0001   -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  -10.0911    6.1815   -2.2003   -0.5432   19.9228   -1.5335    1.0929   -0.6229    0.2968
y    -2.8496    0.0060    0.0200   -0.0537    0.0874   -2.3194    0.0254   -0.0279    0.0131    0.0038
y    -0.0939    0.0073   -0.0047    0.0021   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
y    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
y    -0.0004    0.0000    0.0000    0.0000    0.0001   -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 -205.1436  189.0912 -171.5196  155.1535 -138.8712  122.8239 -108.2101   94.3351  -79.5380
z    64.1570  -50.3298   39.4072  -31.0625   24.4970  -19.2614   15.0134  -11.4044    8.3559   -5.9895
z     4.2474   -2.8861    1.7963   -1.0375    0.5725   -0.2214   -0.1035    0.3229   -0.3880    0.3907
z    -0.4246    0.4632   -0.4412    0.3706   -0.3099    0.2764   -0.2462    0.2081   -0.1731    0.1455
z    -0.1198    0.0962   -0.0795    0.0674   -0.0548    0.0433   -0.0368    0.0331   -0.0276    0.0212
z    -0.0175    0.0163   -0.0143    0.0109   -0.0082    0.0069   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.051   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.975   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.737   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.051   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.975   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.170   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.040   0.000  -0.002   0.091   0.000  -0.024   0.000  -0.007   0.065  -0.013   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.091   0.000   0.000   0.237   0.000  -0.070   0.000   0.000   0.000   0.015   0.000   0.019   0.023
  0.040   0.000   1.720   0.000  -0.020  -0.013   0.000   0.404   0.000   0.006  -0.313   0.024   0.000  -0.024   0.000   0.000
  0.000   0.091   0.000   1.776   0.000   0.000  -0.070   0.000   0.314   0.000   0.000   0.000   0.019   0.000  -0.003  -0.001
 -0.002   0.000  -0.020   0.000   1.950  -0.007   0.000   0.012   0.000   0.080  -0.057   0.006   0.000  -0.007   0.000   0.000
  0.091   0.000  -0.013   0.000  -0.007   0.031   0.000  -0.038   0.000   0.005  -0.066   0.027   0.000   0.026   0.000   0.000
  0.000   0.237   0.000  -0.070   0.000   0.000   0.147   0.000  -0.077   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.404   0.000   0.012  -0.038   0.000   0.672   0.000   0.023   0.517  -0.355   0.000  -0.103   0.000   0.000
  0.000  -0.070   0.000   0.314   0.000   0.000  -0.077   0.000   0.236   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.007   0.000   0.006   0.000   0.080   0.005   0.000   0.023   0.000   0.037   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.065   0.000  -0.313   0.000  -0.057  -0.066   0.000   0.517   0.000   0.043   0.874  -0.391   0.000  -0.154   0.000   0.000
 -0.013   0.000   0.024   0.000   0.006   0.027   0.000  -0.355   0.000  -0.016  -0.391   0.272   0.000   0.080   0.000   0.000
  0.000   0.015   0.000   0.019   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.024   0.000  -0.007   0.026   0.000  -0.103   0.000  -0.015  -0.154   0.080   0.000   0.171   0.000   0.000
  0.000   0.019   0.000  -0.003   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.029   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.025   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.428   0.164   8.206   8.798
  2        0.629   0.031   0.000   0.660
  3        0.545   0.027   0.000   0.572
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.645
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.786   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.636
 17        0.850   1.758   0.000   2.608
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.647
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.772   0.000   2.636
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.786   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.645
------------------------------------------------
tot       44.744  89.257   8.206 142.206
 


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


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


    CHARGE:  VPU time   89.87: CPU time   45.71
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  362.28: CPU time  181.52
    STRESS:  VPU time 1090.13: CPU time  547.85
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.96: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force = 0.3075668E-05[ 0.225E-05, 0.391E-05]  d Energy = 0.1784761E-05 0.129E-05
 d Force = 0.3874307E-01[ 0.387E-01, 0.387E-01]  d Ewald  = 0.7710075E-01-0.384E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.339117 eV

  energy  without entropy=     -470.339117  energy(sigma->0) =     -470.339117
 

  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    40608.31  40581.53 -47253.47    -23.19      0.00      0.00
  Hartree  40134.16  40121.60 -39363.41    -10.88      0.00      0.00
  E(xc)     -779.87   -779.98   -806.99     -0.09      0.00      0.00
  Local   -83030.84 -82995.35  83945.31     30.74      0.00      0.00
  n-local   -223.86   -221.84   -215.69      0.98      0.00      0.00
  augment     21.43     21.93     18.85      0.43      0.00      0.00
  Kinetic   3172.55   3181.77   3581.10     -0.14      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.35     -0.27     -0.36      0.07      0.00      0.00
  in kB       -0.21     -0.16     -0.22      0.04      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
    12.351984763  0.000964618  0.000000000     0.080955000  0.046731030  0.000000000
    -6.175163643 10.697610813  0.000000000    -0.000007300  0.093474603  0.000000000
     0.000000000  0.000000000 19.963737414     0.000000000  0.000000000  0.050090821

  length of vectors
    12.351984800 12.351984582 19.963737414     0.093474602  0.093474603  0.050090821


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.712E-05 -.445E-04 -.104E+04   0.578E-05 -.294E-04 0.104E+04   0.127E-20 -.156E-20 0.322E+01   0.483E-07 -.279E-07 -.584E-02
   -.240E-06 -.791E-05 -.108E+03   -.713E-07 -.948E-06 0.104E+03   -.284E-22 0.827E-23 0.348E+01   0.282E-08 -.165E-08 0.633E-03
   -.147E-06 -.662E-05 -.114E+03   -.710E-07 -.597E-06 0.118E+03   0.268E-22 0.529E-22 -.460E+01   0.214E-08 -.126E-08 0.292E-03
   -.184E+01 0.106E+01 0.219E+02   0.185E+01 -.107E+01 -.219E+02   -.245E-02 0.141E-02 0.195E-01   0.160E-03 -.953E-04 0.393E-04
   0.560E+01 0.668E+01 0.247E+02   -.559E+01 -.670E+01 -.247E+02   -.320E-02 0.189E-01 -.244E-02   0.276E-03 -.201E-03 0.149E-04
   0.109E+02 0.540E+01 0.207E+02   -.109E+02 -.541E+01 -.207E+02   0.326E-02 0.176E-01 -.520E-01   0.234E-03 -.857E-04 -.524E-04
   0.438E+01 -.120E+01 0.189E+02   -.440E+01 0.122E+01 -.189E+02   0.155E-01 -.189E-01 0.280E-01   0.189E-03 -.126E-03 -.381E-04
   -.271E+01 -.252E+01 0.176E+02   0.271E+01 0.254E+01 -.176E+02   -.103E-01 -.126E-01 0.249E-01   0.206E-03 -.156E-03 0.123E-04
   0.834E+00 0.360E+01 0.176E+02   -.841E+00 -.362E+01 -.176E+02   0.573E-02 0.152E-01 0.249E-01   0.233E-03 -.107E-03 0.773E-05
   0.301E+01 0.180E+02 0.284E+02   -.302E+01 -.180E+02 -.285E+02   0.110E-01 0.521E-01 0.325E-01   0.210E-03 -.235E-04 -.814E-04
   0.209E+02 0.235E+02 0.401E+02   -.209E+02 -.237E+02 -.399E+02   0.438E-01 0.189E+00 -.103E+00   0.100E-03 -.240E-03 -.259E-03
   0.269E+02 -.515E+01 0.256E+02   -.271E+02 0.525E+01 -.256E+02   0.204E+00 -.106E+00 0.592E-01   0.236E-03 -.178E-03 -.154E-03
   0.933E+01 -.539E+01 0.164E+02   -.932E+01 0.538E+01 -.164E+02   -.934E-02 0.539E-02 0.390E-01   0.262E-03 -.157E-03 0.165E-04
   0.323E+01 -.319E+01 0.189E+02   -.326E+01 0.320E+01 -.189E+02   0.241E-01 -.394E-02 0.280E-01   0.202E-03 -.105E-03 -.485E-04
   -.593E+01 0.130E+02 0.220E+02   0.592E+01 -.130E+02 -.220E+02   0.949E-02 0.538E-01 0.281E-01   0.147E-03 -.127E-03 -.112E-03
   -.126E+02 0.346E+02 0.386E+02   0.125E+02 -.351E+02 -.391E+02   0.187E-01 0.500E+00 0.532E+00   0.317E-03 -.150E-03 -.272E-03
   0.335E+02 -.194E+02 0.478E+02   -.347E+02 0.201E+02 -.504E+02   0.123E+01 -.708E+00 0.262E+01   0.167E-03 -.994E-04 -.347E-03
   0.179E+02 -.207E+02 0.256E+02   -.181E+02 0.208E+02 -.256E+02   0.193E+00 -.124E+00 0.592E-01   0.271E-03 -.123E-03 -.160E-03
   0.764E+00 -.121E+02 0.207E+02   -.755E+00 0.121E+02 -.207E+02   -.136E-01 -.116E-01 -.520E-01   0.194E-03 -.161E-03 -.592E-04
   -.386E+01 0.134E+01 0.160E+02   0.386E+01 -.135E+01 -.160E+02   -.101E-01 0.534E-02 -.396E-01   0.211E-03 -.183E-03 -.939E-05
   -.177E+02 0.102E+02 0.190E+02   0.178E+02 -.103E+02 -.188E+02   -.327E-01 0.189E-01 -.155E+00   0.227E-03 -.127E-03 -.958E-04
   -.363E+02 -.643E+01 0.386E+02   0.367E+02 0.670E+01 -.391E+02   -.423E+00 -.266E+00 0.532E+00   0.291E-03 -.200E-03 -.268E-03
   -.991E+01 -.298E+02 0.401E+02   0.101E+02 0.300E+02 -.399E+02   -.142E+00 -.133E+00 -.103E+00   0.261E-03 0.285E-04 -.261E-03
   -.299E+01 -.819E+01 0.247E+02   0.301E+01 0.820E+01 -.247E+02   -.180E-01 -.670E-02 -.244E-02   0.314E-03 -.140E-03 0.140E-04
   0.985E+00 -.569E+00 0.178E+02   -.981E+00 0.566E+00 -.178E+02   -.442E-02 0.255E-02 -.305E-01   0.251E-03 -.143E-03 0.362E-04
   -.309E+01 0.267E+01 0.160E+02   0.310E+01 -.267E+01 -.160E+02   -.967E-02 0.606E-02 -.396E-01   0.265E-03 -.866E-04 -.355E-05
   -.142E+02 -.135E+01 0.220E+02   0.142E+02 0.138E+01 -.220E+02   -.418E-01 -.351E-01 0.281E-01   0.185E-03 -.656E-04 -.102E-03
   -.141E+02 -.116E+02 0.284E+02   0.141E+02 0.116E+02 -.285E+02   -.396E-01 -.356E-01 0.325E-01   0.127E-03 -.175E-03 -.778E-04
   0.299E+01 0.819E+01 0.247E+02   -.301E+01 -.820E+01 -.247E+02   0.180E-01 0.670E-02 -.244E-02   -.314E-03 0.140E-03 0.140E-04
   0.141E+02 0.116E+02 0.284E+02   -.141E+02 -.116E+02 -.285E+02   0.396E-01 0.356E-01 0.325E-01   -.127E-03 0.175E-03 -.778E-04
   0.142E+02 0.135E+01 0.220E+02   -.142E+02 -.138E+01 -.220E+02   0.418E-01 0.351E-01 0.281E-01   -.185E-03 0.656E-04 -.102E-03
   0.309E+01 -.267E+01 0.160E+02   -.310E+01 0.267E+01 -.160E+02   0.967E-02 -.606E-02 -.396E-01   -.266E-03 0.867E-04 -.355E-05
   -.985E+00 0.569E+00 0.178E+02   0.981E+00 -.566E+00 -.178E+02   0.442E-02 -.255E-02 -.305E-01   -.251E-03 0.143E-03 0.362E-04
   -.764E+00 0.121E+02 0.207E+02   0.755E+00 -.121E+02 -.207E+02   0.136E-01 0.116E-01 -.520E-01   -.194E-03 0.161E-03 -.592E-04
   0.991E+01 0.298E+02 0.401E+02   -.101E+02 -.300E+02 -.399E+02   0.142E+00 0.133E+00 -.103E+00   -.261E-03 -.285E-04 -.261E-03
   0.363E+02 0.643E+01 0.386E+02   -.367E+02 -.670E+01 -.391E+02   0.423E+00 0.266E+00 0.532E+00   -.291E-03 0.200E-03 -.268E-03
   0.177E+02 -.102E+02 0.190E+02   -.178E+02 0.103E+02 -.188E+02   0.327E-01 -.189E-01 -.155E+00   -.227E-03 0.127E-03 -.958E-04
   0.386E+01 -.134E+01 0.160E+02   -.386E+01 0.135E+01 -.160E+02   0.101E-01 -.534E-02 -.396E-01   -.211E-03 0.183E-03 -.939E-05
   -.323E+01 0.319E+01 0.189E+02   0.326E+01 -.320E+01 -.189E+02   -.241E-01 0.394E-02 0.280E-01   -.202E-03 0.105E-03 -.485E-04
   -.179E+02 0.207E+02 0.256E+02   0.181E+02 -.208E+02 -.256E+02   -.193E+00 0.124E+00 0.592E-01   -.271E-03 0.123E-03 -.160E-03
   -.335E+02 0.194E+02 0.478E+02   0.347E+02 -.201E+02 -.504E+02   -.123E+01 0.708E+00 0.262E+01   -.167E-03 0.994E-04 -.347E-03
   0.126E+02 -.346E+02 0.386E+02   -.125E+02 0.351E+02 -.391E+02   -.187E-01 -.500E+00 0.532E+00   -.317E-03 0.150E-03 -.272E-03
   0.593E+01 -.130E+02 0.220E+02   -.592E+01 0.130E+02 -.220E+02   -.949E-02 -.538E-01 0.281E-01   -.147E-03 0.127E-03 -.112E-03
   -.834E+00 -.360E+01 0.176E+02   0.841E+00 0.362E+01 -.176E+02   -.573E-02 -.152E-01 0.249E-01   -.233E-03 0.107E-03 0.773E-05
   -.933E+01 0.539E+01 0.164E+02   0.932E+01 -.538E+01 -.164E+02   0.934E-02 -.539E-02 0.390E-01   -.262E-03 0.157E-03 0.165E-04
   -.269E+02 0.515E+01 0.256E+02   0.271E+02 -.525E+01 -.256E+02   -.204E+00 0.106E+00 0.592E-01   -.236E-03 0.178E-03 -.154E-03
   -.209E+02 -.235E+02 0.401E+02   0.209E+02 0.237E+02 -.399E+02   -.438E-01 -.189E+00 -.103E+00   -.100E-03 0.240E-03 -.259E-03
   -.301E+01 -.180E+02 0.284E+02   0.302E+01 0.180E+02 -.285E+02   -.110E-01 -.521E-01 0.325E-01   -.210E-03 0.235E-04 -.814E-04
   0.184E+01 -.106E+01 0.219E+02   -.185E+01 0.107E+01 -.219E+02   0.245E-02 -.141E-02 0.195E-01   -.160E-03 0.953E-04 0.393E-04
   0.270E+01 0.252E+01 0.176E+02   -.271E+01 -.254E+01 -.176E+02   0.103E-01 0.126E-01 0.249E-01   -.206E-03 0.156E-03 0.123E-04
   -.438E+01 0.120E+01 0.189E+02   0.440E+01 -.122E+01 -.189E+02   -.155E-01 0.189E-01 0.280E-01   -.189E-03 0.126E-03 -.381E-04
   -.109E+02 -.540E+01 0.207E+02   0.109E+02 0.541E+01 -.207E+02   -.326E-02 -.176E-01 -.520E-01   -.234E-03 0.857E-04 -.524E-04
   -.560E+01 -.668E+01 0.247E+02   0.559E+01 0.670E+01 -.247E+02   0.320E-02 -.189E-01 -.244E-02   -.276E-03 0.201E-03 0.149E-04
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.296E-03 -.912E+01   0.180E-12 0.206E-12 0.536E-12   0.142E-15 -.694E-17 0.912E+01   0.550E-07 -.337E-07 -.944E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85327      6.06240     12.23074         0.000000      0.000000      0.010757
      1.85327      6.06240     14.01232         0.000000      0.000000     -0.008142
      1.85327      6.06240     14.78235         0.000000      0.000000     -0.009403
      0.00062     -0.00036      9.91676         0.002371     -0.001369     -0.002403
     11.11628      2.13951      9.92037         0.001860     -0.005447     -0.003155
      9.87965      4.27951      9.94498        -0.003413      0.003432     -0.000054
      8.64582      6.41950      9.94490        -0.003349      0.003805     -0.000807
     -4.93793      8.55820      9.93562        -0.001616      0.000188     -0.003274
     -3.70376     10.69584      9.93562        -0.000971      0.001306     -0.003274
      1.23530      2.13728      9.94363         0.001366      0.005277     -0.002040
     -0.00503      4.27720      9.99736        -0.003444     -0.005460      0.005100
     -1.24136      6.41695     10.00666         0.002949     -0.002898      0.006147
     -2.46780      8.55716      9.95974         0.003127     -0.001806     -0.004073
      4.94029      0.00132      9.94490        -0.004969      0.000998     -0.000807
      3.70634      2.13514      9.95882        -0.003897      0.004638      0.002931
      2.47304      4.25674     10.07628         0.003361      0.000318      0.012117
      1.21994      6.42805     10.22519         0.003894     -0.002248     -0.010152
     -0.00110      8.56515     10.00666         0.003984     -0.001105      0.006147
      7.41049      0.00279      9.94498        -0.004679      0.001240     -0.000054
      6.17558      2.14017      9.94659        -0.001764     -0.003043     -0.002105
      4.94284      4.27863      9.99716         0.003540     -0.002044     -0.005311
      3.72690      6.42849     10.07628         0.001405     -0.003070      0.012117
      2.47014      8.56432      9.99736         0.003007      0.005713      0.005100
      9.88210      0.00185      9.92037         0.005648      0.001113     -0.003155
      8.64556      2.14087      9.92771         0.000200     -0.000115     -0.004387
      7.41118      4.28028      9.94659         0.001753      0.003049     -0.002105
      6.18091      6.42122      9.95882        -0.005966      0.001056      0.002931
      4.94353      8.56013      9.94363        -0.003887     -0.003822     -0.002040
     -0.00040      1.42534      9.92037        -0.005648     -0.001113     -0.003155
     -1.23700      3.56466      9.94363         0.003887      0.003822     -0.002040
     -2.47438      5.70357      9.95882         0.005966     -0.001056      0.002931
     -3.70464      7.84451      9.94659        -0.001753     -0.003049     -0.002105
     -4.93902      9.98392      9.92771        -0.000200      0.000115     -0.004387
      2.47121      1.42440      9.94498         0.004679     -0.001240     -0.000054
      1.23639      3.56047      9.99736        -0.003007     -0.005713      0.005100
     -0.02037      5.69631     10.07628        -0.001405      0.003070      0.012117
     -1.23631      7.84616      9.99716        -0.003540      0.002044     -0.005311
     -2.46904      9.98463      9.94659         0.001764      0.003043     -0.002105
      4.94141      1.42586      9.94490         0.004969     -0.000998     -0.000807
      3.70763      3.55965     10.00666        -0.003984      0.001105      0.006147
      2.48659      5.69675     10.22519        -0.003894      0.002248     -0.010152
      1.23349      7.86806     10.07628        -0.003361     -0.000318      0.012117
      0.00019      9.98966      9.95882         0.003897     -0.004638      0.002931
      7.41030      1.42895      9.93562         0.000971     -0.001306     -0.003274
      6.17433      3.56763      9.95974        -0.003127      0.001806     -0.004073
      4.94789      5.70785     10.00666        -0.002949      0.002898      0.006147
      3.71156      7.84759      9.99736         0.003444      0.005460      0.005100
      2.47123      9.98751      9.94363        -0.001366     -0.005277     -0.002040
      9.88108      1.42754      9.91676        -0.002371      0.001369     -0.002403
      8.64446      3.56660      9.93562         0.001616     -0.000188     -0.003274
      7.41270      5.70626      9.94490         0.003349     -0.003805     -0.000807
      6.17887      7.84625      9.94498         0.003413     -0.003432     -0.000054
      4.94224      9.98625      9.92037        -0.001860      0.005447     -0.003155
 -----------------------------------------------------------------------------------
    total drift:                               -0.001810      0.000296     -0.007301


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




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


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.45: CPU time   75.31
     LOOP+:  VPU time 4041.29: CPU time 2063.72


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


    POTLOK:  VPU time    7.77: CPU time    7.75
    SETDIJ:  VPU time    0.28: CPU time    0.28
    EDDAV :  VPU time 1450.87: CPU time  740.28
 BZINTS: Fermi energy: -2.843937;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.07: CPU time   45.36
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1549.18: CPU time  793.83

 eigenvalue-minimisations  :  5960
 total energy-change (2. order) :-0.4703392E+03  (-0.1157281E-02)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1153604 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.20631E-02    rms(broyden)= 0.20608E-02
  rms(prec ) = 0.22683E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33933.63000501
  -1/2 Hartree   DENC   =    -40889.78851823
  -V(xc)+E(xc)   XCENC  =       726.68262037
  PAW double counting   =      4080.36152700    -4117.02196866
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.64267954
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33916044 eV

  energy without entropy =     -470.33916044  energy(sigma->0) =     -470.33916044


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




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


    POTLOK:  VPU time    7.75: CPU time    7.76
    SETDIJ:  VPU time    0.29: CPU time    0.28
    EDDAV :  VPU time 1229.68: CPU time  627.39
 BZINTS: Fermi energy: -2.846162;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1237.78: CPU time  635.46

 eigenvalue-minimisations  :  4720
 total energy-change (2. order) :-0.3583626E-05  (-0.2004275E-04)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1153604 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33933.63000501
  -1/2 Hartree   DENC   =    -40889.72195075
  -V(xc)+E(xc)   XCENC  =       726.68066047
  PAW double counting   =      4080.30421384    -4116.96281844
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.70912775
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33916402 eV

  energy without entropy =     -470.33916402  energy(sigma->0) =     -470.33916402


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




 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 -57.8069       2 -41.9947       3 -42.1059       4 -57.9932       5 -57.9893
       6 -57.9909       7 -57.9902       8 -57.9913       9 -57.9913      10 -57.9966
      11 -58.0257      12 -58.0079      13 -57.9999      14 -57.9902      15 -57.9970
      16 -58.1525      17 -58.5633      18 -58.0079      19 -57.9909      20 -57.9927
      21 -58.0079      22 -58.1525      23 -58.0257      24 -57.9893      25 -57.9860
      26 -57.9928      27 -57.9971      28 -57.9966      29 -57.9892      30 -57.9965
      31 -57.9970      32 -57.9927      33 -57.9859      34 -57.9908      35 -58.0256
      36 -58.1524      37 -58.0079      38 -57.9927      39 -57.9901      40 -58.0078
      41 -58.5632      42 -58.1524      43 -57.9970      44 -57.9912      45 -57.9998
      46 -58.0078      47 -58.0256      48 -57.9965      49 -57.9931      50 -57.9912
      51 -57.9901      52 -57.9908      53 -57.9893
 
 
 
 E-fermi :  -2.8462     XC(G=0):  -2.3557     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0784      1.00000
      2     -21.2445      1.00000
      3     -21.1345      1.00000
      4     -21.1230      1.00000
      5     -21.1155      1.00000
      6     -21.0987      1.00000
      7     -21.0965      1.00000
      8     -19.3810      1.00000
      9     -19.3008      1.00000
     10     -19.2938      1.00000
     11     -19.2877      1.00000
     12     -19.2684      1.00000
     13     -19.2657      1.00000
     14     -18.4721      1.00000
     15     -18.4108      1.00000
     16     -18.4057      1.00000
     17     -18.3809      1.00000
     18     -18.3755      1.00000
     19     -18.3687      1.00000
     20     -16.3376      1.00000
     21     -16.2560      1.00000
     22     -16.2543      1.00000
     23     -16.2452      1.00000
     24     -16.2271      1.00000
     25     -16.2268      1.00000
     26     -15.3097      1.00000
     27     -15.2652      1.00000
     28     -15.2397      1.00000
     29     -15.2293      1.00000
     30     -15.2239      1.00000
     31     -15.2150      1.00000
     32     -13.9623      1.00000
     33     -13.9236      1.00000
     34     -13.9013      1.00000
     35     -13.8947      1.00000
     36     -13.8889      1.00000
     37     -13.8757      1.00000
     38     -11.7466      1.00000
     39     -11.5657      1.00000
     40     -11.5297      1.00000
     41     -11.5235      1.00000
     42     -11.5195      1.00000
     43     -11.5189      1.00000
     44     -11.4379      1.00000
     45     -11.4327      1.00000
     46     -11.4096      1.00000
     47     -11.3903      1.00000
     48     -11.3889      1.00000
     49     -11.3885      1.00000
     50     -11.1365      1.00000
     51     -10.2571      1.00000
     52     -10.0689      1.00000
     53     -10.0601      1.00000
     54     -10.0401      1.00000
     55     -10.0394      1.00000
     56     -10.0217      1.00000
     57      -9.9981      1.00000
     58      -9.4112      1.00000
     59      -9.1377      1.00000
     60      -9.0956      1.00000
     61      -9.0536      1.00000
     62      -9.0379      1.00000
     63      -9.0341      1.00000
     64      -8.8486      1.00000
     65      -8.7836      1.00000
     66      -8.7817      1.00000
     67      -8.7682      1.00000
     68      -8.7586      1.00000
     69      -8.7372      1.00000
     70      -8.7330      1.00000
     71      -8.7303      1.00000
     72      -8.7300      1.00000
     73      -8.7075      1.00000
     74      -8.6914      1.00000
     75      -8.6909      1.00000
     76      -7.3972      1.00000
     77      -7.2342      1.00000
     78      -7.1813      1.00000
     79      -7.1526      1.00000
     80      -7.1061      1.00000
     81      -7.1045      1.00000
     82      -7.0853      1.00000
     83      -7.0767      1.00000
     84      -6.9405      1.00000
     85      -6.9286      1.00000
     86      -6.9230      1.00000
     87      -6.9143      1.00000
     88      -6.3275      1.00000
     89      -6.2892      1.00000
     90      -6.0985      1.00000
     91      -6.0692      1.00000
     92      -6.0306      1.00000
     93      -6.0294      1.00000
     94      -5.6493      1.00000
     95      -5.6132      1.00000
     96      -4.9837      1.00000
     97      -4.6191      1.00000
     98      -4.2668      1.00000
     99      -4.2531      1.00000
    100      -4.0682      1.00000
    101      -4.0647      1.00000
    102      -4.0187      1.00000
    103      -3.8760      1.00000
    104      -3.5665      1.00000
    105      -3.4661      1.00000
    106      -3.4279      1.00000
    107      -1.8987      0.00000
    108      -1.2877      0.00000
    109      -1.2624      0.00000
    110      -1.2607      0.00000
    111      -1.2518      0.00000
    112      -1.2164      0.00000
    113      -1.0468      0.00000
    114       0.3643      0.00000
    115       0.4571      0.00000
    116       0.5333      0.00000
    117       0.5728      0.00000
    118       0.5867      0.00000
    119       0.5873      0.00000
    120       0.7596      0.00000
    121       1.2510      0.00000
    122       1.3226      0.00000
    123       1.3332      0.00000
    124       1.6523      0.00000
    125       1.9307      0.00000
    126       1.9350      0.00000
    127       1.9517      0.00000
    128       2.0201      0.00000
    129       2.1719      0.00000
    130       2.2906      0.00000
    131       2.2948      0.00000
    132       2.2956      0.00000
    133       2.2989      0.00000
    134       2.3055      0.00000
    135       2.3442      0.00000
    136       2.4092      0.00000
    137       2.5208      0.00000
    138       2.6665      0.00000
    139       2.6705      0.00000
    140       2.7180      0.00000
    141       2.7577      0.00000
    142       2.8391      0.00000
    143       2.8603      0.00000
    144       2.9951      0.00000
    145       3.0027      0.00000
    146       3.0040      0.00000
    147       3.0165      0.00000
    148       3.2753      0.00000
    149       3.4710      0.00000
    150       3.5988      0.00000
    151       3.7475      0.00000
    152       3.7603      0.00000
    153       3.9190      0.00000
    154       3.9256      0.00000
    155       3.9483      0.00000
    156       3.9820      0.00000
    157       4.1782      0.00000
    158       4.1801      0.00000
    159       4.3220      0.00000
    160       4.3258      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0414      1.00000
      2     -21.4820      1.00000
      3     -21.2998      1.00000
      4     -21.2670      1.00000
      5     -20.9309      1.00000
      6     -20.8934      1.00000
      7     -20.7191      1.00000
      8     -19.8283      1.00000
      9     -19.7884      1.00000
     10     -19.2789      1.00000
     11     -19.2486      1.00000
     12     -19.0815      1.00000
     13     -18.7580      1.00000
     14     -18.7212      1.00000
     15     -18.7098      1.00000
     16     -18.6978      1.00000
     17     -18.0326      1.00000
     18     -18.0077      1.00000
     19     -17.6857      1.00000
     20     -16.7469      1.00000
     21     -16.6918      1.00000
     22     -16.6185      1.00000
     23     -16.6026      1.00000
     24     -16.1436      1.00000
     25     -16.1222      1.00000
     26     -15.2935      1.00000
     27     -15.2643      1.00000
     28     -14.9395      1.00000
     29     -14.9003      1.00000
     30     -14.8426      1.00000
     31     -14.7632      1.00000
     32     -14.7343      1.00000
     33     -14.3741      1.00000
     34     -14.3567      1.00000
     35     -13.4113      1.00000
     36     -13.3865      1.00000
     37     -12.9083      1.00000
     38     -12.3070      1.00000
     39     -12.2514      1.00000
     40     -12.1266      1.00000
     41     -12.1077      1.00000
     42     -11.8254      1.00000
     43     -11.7741      1.00000
     44     -11.4401      1.00000
     45     -11.3490      1.00000
     46     -11.2037      1.00000
     47     -10.9018      1.00000
     48     -10.8891      1.00000
     49     -10.6864      1.00000
     50     -10.6722      1.00000
     51     -10.5934      1.00000
     52     -10.5684      1.00000
     53     -10.1908      1.00000
     54      -9.8280      1.00000
     55      -9.8179      1.00000
     56      -9.7723      1.00000
     57      -9.5755      1.00000
     58      -9.4000      1.00000
     59      -9.3712      1.00000
     60      -9.3093      1.00000
     61      -9.2830      1.00000
     62      -9.2479      1.00000
     63      -9.2031      1.00000
     64      -8.9847      1.00000
     65      -8.9747      1.00000
     66      -8.9258      1.00000
     67      -8.8820      1.00000
     68      -8.8173      1.00000
     69      -8.7822      1.00000
     70      -8.7727      1.00000
     71      -8.6099      1.00000
     72      -8.5443      1.00000
     73      -8.2956      1.00000
     74      -8.2683      1.00000
     75      -7.7831      1.00000
     76      -7.7204      1.00000
     77      -7.5658      1.00000
     78      -7.5343      1.00000
     79      -7.4323      1.00000
     80      -7.4299      1.00000
     81      -7.0724      1.00000
     82      -7.0468      1.00000
     83      -7.0206      1.00000
     84      -6.9821      1.00000
     85      -6.7927      1.00000
     86      -6.6954      1.00000
     87      -6.5520      1.00000
     88      -6.4651      1.00000
     89      -6.3658      1.00000
     90      -6.3047      1.00000
     91      -5.8401      1.00000
     92      -5.8119      1.00000
     93      -5.8009      1.00000
     94      -5.6893      1.00000
     95      -5.4779      1.00000
     96      -5.0476      1.00000
     97      -4.7413      1.00000
     98      -4.4584      1.00000
     99      -4.3724      1.00000
    100      -4.2094      1.00000
    101      -4.1654      1.00000
    102      -4.0186      1.00000
    103      -3.8278      1.00000
    104      -3.5236      1.00000
    105      -3.4550      1.00000
    106      -3.4029      1.00000
    107      -1.9183      0.00000
    108      -1.4340      0.00000
    109      -1.3130      0.00000
    110      -1.0115      0.00000
    111      -0.9747      0.00000
    112      -0.9578      0.00000
    113      -0.9110      0.00000
    114      -0.3115      0.00000
    115       0.0592      0.00000
    116       0.1049      0.00000
    117       0.7601      0.00000
    118       0.8736      0.00000
    119       1.0136      0.00000
    120       1.0799      0.00000
    121       1.2837      0.00000
    122       1.3675      0.00000
    123       1.4284      0.00000
    124       1.4948      0.00000
    125       1.5627      0.00000
    126       1.6742      0.00000
    127       1.7621      0.00000
    128       1.9646      0.00000
    129       1.9855      0.00000
    130       2.1191      0.00000
    131       2.2009      0.00000
    132       2.2599      0.00000
    133       2.3368      0.00000
    134       2.3742      0.00000
    135       2.4248      0.00000
    136       2.5321      0.00000
    137       2.7079      0.00000
    138       2.7369      0.00000
    139       2.7745      0.00000
    140       2.8306      0.00000
    141       2.8814      0.00000
    142       3.0560      0.00000
    143       3.1177      0.00000
    144       3.1266      0.00000
    145       3.1591      0.00000
    146       3.1850      0.00000
    147       3.2387      0.00000
    148       3.4227      0.00000
    149       3.4703      0.00000
    150       3.4948      0.00000
    151       3.5994      0.00000
    152       3.6038      0.00000
    153       3.7886      0.00000
    154       3.8557      0.00000
    155       3.9260      0.00000
    156       4.0286      0.00000
    157       4.1285      0.00000
    158       4.1415      0.00000
    159       4.2030      0.00000
    160       4.3003      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9331      1.00000
      2     -21.7341      1.00000
      3     -21.3762      1.00000
      4     -21.3416      1.00000
      5     -20.6376      1.00000
      6     -20.5972      1.00000
      7     -20.2746      1.00000
      8     -20.2347      1.00000
      9     -20.2251      1.00000
     10     -19.6942      1.00000
     11     -19.1751      1.00000
     12     -19.1416      1.00000
     13     -18.9754      1.00000
     14     -18.9565      1.00000
     15     -18.1156      1.00000
     16     -18.0719      1.00000
     17     -17.5994      1.00000
     18     -17.5696      1.00000
     19     -17.4276      1.00000
     20     -17.3876      1.00000
     21     -17.1107      1.00000
     22     -17.0878      1.00000
     23     -17.0103      1.00000
     24     -16.1390      1.00000
     25     -16.1187      1.00000
     26     -15.6242      1.00000
     27     -15.0940      1.00000
     28     -15.0668      1.00000
     29     -14.7760      1.00000
     30     -14.7521      1.00000
     31     -14.5427      1.00000
     32     -14.5099      1.00000
     33     -13.9601      1.00000
     34     -13.9226      1.00000
     35     -13.1173      1.00000
     36     -13.0705      1.00000
     37     -12.8674      1.00000
     38     -12.8379      1.00000
     39     -12.6445      1.00000
     40     -12.6297      1.00000
     41     -12.3085      1.00000
     42     -12.2760      1.00000
     43     -11.8789      1.00000
     44     -11.3708      1.00000
     45     -11.2056      1.00000
     46     -11.1537      1.00000
     47     -10.9592      1.00000
     48     -10.9495      1.00000
     49     -10.8102      1.00000
     50     -10.3489      1.00000
     51     -10.3335      1.00000
     52     -10.0944      1.00000
     53      -9.9887      1.00000
     54      -9.9836      1.00000
     55      -9.8420      1.00000
     56      -9.7866      1.00000
     57      -9.7806      1.00000
     58      -9.4625      1.00000
     59      -9.4447      1.00000
     60      -9.3995      1.00000
     61      -9.3696      1.00000
     62      -9.3533      1.00000
     63      -9.3227      1.00000
     64      -9.0326      1.00000
     65      -9.0202      1.00000
     66      -8.9865      1.00000
     67      -8.7019      1.00000
     68      -8.6336      1.00000
     69      -8.5447      1.00000
     70      -8.4763      1.00000
     71      -8.2734      1.00000
     72      -8.1895      1.00000
     73      -8.0701      1.00000
     74      -8.0555      1.00000
     75      -8.0109      1.00000
     76      -7.9577      1.00000
     77      -7.9326      1.00000
     78      -7.9266      1.00000
     79      -7.9037      1.00000
     80      -7.4688      1.00000
     81      -7.0713      1.00000
     82      -7.0284      1.00000
     83      -7.0177      1.00000
     84      -6.9191      1.00000
     85      -6.8958      1.00000
     86      -6.6626      1.00000
     87      -6.6543      1.00000
     88      -6.3043      1.00000
     89      -6.2416      1.00000
     90      -5.9747      1.00000
     91      -5.9092      1.00000
     92      -5.7341      1.00000
     93      -5.5207      1.00000
     94      -5.3939      1.00000
     95      -5.2318      1.00000
     96      -5.0651      1.00000
     97      -5.0023      1.00000
     98      -4.9016      1.00000
     99      -4.9002      1.00000
    100      -4.3185      1.00000
    101      -4.1603      1.00000
    102      -4.0607      1.00000
    103      -3.7715      1.00000
    104      -3.5590      1.00000
    105      -3.3573      1.00000
    106      -3.3469      1.00000
    107      -1.9423      0.00000
    108      -1.5315      0.00000
    109      -1.3406      0.00000
    110      -0.8293      0.00000
    111      -0.7063      0.00000
    112      -0.6617      0.00000
    113      -0.3473      0.00000
    114      -0.3131      0.00000
    115      -0.3026      0.00000
    116      -0.2822      0.00000
    117       0.4534      0.00000
    118       0.5395      0.00000
    119       0.8223      0.00000
    120       1.0789      0.00000
    121       1.1356      0.00000
    122       1.4157      0.00000
    123       1.5076      0.00000
    124       1.5559      0.00000
    125       1.6057      0.00000
    126       1.7088      0.00000
    127       1.8675      0.00000
    128       1.8927      0.00000
    129       1.9401      0.00000
    130       2.0507      0.00000
    131       2.0963      0.00000
    132       2.1956      0.00000
    133       2.3549      0.00000
    134       2.5190      0.00000
    135       2.6208      0.00000
    136       2.6544      0.00000
    137       2.7055      0.00000
    138       2.7576      0.00000
    139       2.9015      0.00000
    140       2.9689      0.00000
    141       3.0328      0.00000
    142       3.1990      0.00000
    143       3.2274      0.00000
    144       3.2582      0.00000
    145       3.3776      0.00000
    146       3.4143      0.00000
    147       3.4706      0.00000
    148       3.5408      0.00000
    149       3.6202      0.00000
    150       3.6404      0.00000
    151       3.6819      0.00000
    152       3.6989      0.00000
    153       3.8254      0.00000
    154       3.8956      0.00000
    155       3.9205      0.00000
    156       3.9403      0.00000
    157       3.9924      0.00000
    158       4.0222      0.00000
    159       4.0949      0.00000
    160       4.1005      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9683      1.00000
      2     -21.6098      1.00000
      3     -21.5603      1.00000
      4     -21.0360      1.00000
      5     -21.0124      1.00000
      6     -20.4908      1.00000
      7     -20.4427      1.00000
      8     -20.2833      1.00000
      9     -19.7347      1.00000
     10     -19.7327      1.00000
     11     -19.3780      1.00000
     12     -19.3563      1.00000
     13     -18.6570      1.00000
     14     -18.6530      1.00000
     15     -18.3015      1.00000
     16     -18.2914      1.00000
     17     -18.1242      1.00000
     18     -17.3539      1.00000
     19     -17.2922      1.00000
     20     -17.2795      1.00000
     21     -17.2528      1.00000
     22     -16.7863      1.00000
     23     -16.7731      1.00000
     24     -16.6256      1.00000
     25     -15.6621      1.00000
     26     -15.6068      1.00000
     27     -15.2510      1.00000
     28     -15.2412      1.00000
     29     -14.9725      1.00000
     30     -14.5279      1.00000
     31     -14.4988      1.00000
     32     -14.2520      1.00000
     33     -14.2118      1.00000
     34     -13.8383      1.00000
     35     -13.8307      1.00000
     36     -12.8120      1.00000
     37     -12.7571      1.00000
     38     -12.7172      1.00000
     39     -12.6929      1.00000
     40     -12.3873      1.00000
     41     -12.3785      1.00000
     42     -12.0056      1.00000
     43     -11.9791      1.00000
     44     -11.4422      1.00000
     45     -11.3049      1.00000
     46     -11.2436      1.00000
     47     -11.1259      1.00000
     48     -10.6056      1.00000
     49     -10.5900      1.00000
     50     -10.3023      1.00000
     51     -10.2911      1.00000
     52     -10.1709      1.00000
     53     -10.1692      1.00000
     54     -10.1109      1.00000
     55     -10.0993      1.00000
     56     -10.0217      1.00000
     57      -9.7099      1.00000
     58      -9.5812      1.00000
     59      -9.2836      1.00000
     60      -9.2269      1.00000
     61      -9.1508      1.00000
     62      -9.0818      1.00000
     63      -9.0643      1.00000
     64      -9.0445      1.00000
     65      -8.9984      1.00000
     66      -8.9672      1.00000
     67      -8.8612      1.00000
     68      -8.8273      1.00000
     69      -8.7831      1.00000
     70      -8.5346      1.00000
     71      -8.5282      1.00000
     72      -8.3977      1.00000
     73      -8.2793      1.00000
     74      -8.1257      1.00000
     75      -7.8828      1.00000
     76      -7.8440      1.00000
     77      -7.5995      1.00000
     78      -7.5334      1.00000
     79      -7.5028      1.00000
     80      -7.4996      1.00000
     81      -7.3868      1.00000
     82      -7.3746      1.00000
     83      -7.1322      1.00000
     84      -7.0760      1.00000
     85      -6.6049      1.00000
     86      -6.5798      1.00000
     87      -6.4805      1.00000
     88      -6.3520      1.00000
     89      -6.1130      1.00000
     90      -6.0506      1.00000
     91      -5.9787      1.00000
     92      -5.8984      1.00000
     93      -5.7318      1.00000
     94      -5.3402      1.00000
     95      -5.1656      1.00000
     96      -5.1241      1.00000
     97      -5.0546      1.00000
     98      -4.9018      1.00000
     99      -4.4504      1.00000
    100      -4.3964      1.00000
    101      -4.1585      1.00000
    102      -4.0360      1.00000
    103      -3.9387      1.00000
    104      -3.5524      1.00000
    105      -3.4878      1.00000
    106      -3.0578      1.00000
    107      -2.1229      0.00000
    108      -1.6013      0.00000
    109      -0.9393      0.00000
    110      -0.9065      0.00000
    111      -0.8429      0.00000
    112      -0.6360      0.00000
    113      -0.6275      0.00000
    114      -0.4956      0.00000
    115      -0.4837      0.00000
    116       0.4901      0.00000
    117       0.4923      0.00000
    118       0.5888      0.00000
    119       0.7916      0.00000
    120       1.0291      0.00000
    121       1.0838      0.00000
    122       1.2922      0.00000
    123       1.3033      0.00000
    124       1.4752      0.00000
    125       1.6362      0.00000
    126       1.7176      0.00000
    127       1.8342      0.00000
    128       2.0086      0.00000
    129       2.0630      0.00000
    130       2.0913      0.00000
    131       2.1681      0.00000
    132       2.3026      0.00000
    133       2.3467      0.00000
    134       2.4464      0.00000
    135       2.5490      0.00000
    136       2.7459      0.00000
    137       2.8072      0.00000
    138       2.8432      0.00000
    139       2.8837      0.00000
    140       2.9054      0.00000
    141       3.0492      0.00000
    142       3.0522      0.00000
    143       3.1225      0.00000
    144       3.1688      0.00000
    145       3.2647      0.00000
    146       3.3042      0.00000
    147       3.3721      0.00000
    148       3.4823      0.00000
    149       3.5868      0.00000
    150       3.5979      0.00000
    151       3.6809      0.00000
    152       3.6959      0.00000
    153       3.8041      0.00000
    154       3.8974      0.00000
    155       3.9546      0.00000
    156       3.9795      0.00000
    157       4.0021      0.00000
    158       4.0915      0.00000
    159       4.1690      0.00000
    160       4.1708      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8526      1.00000
      2     -21.7797      1.00000
      3     -21.6170      1.00000
      4     -21.0624      1.00000
      5     -20.7109      1.00000
      6     -20.6691      1.00000
      7     -20.1629      1.00000
      8     -20.1163      1.00000
      9     -19.9621      1.00000
     10     -19.9322      1.00000
     11     -19.6140      1.00000
     12     -19.5561      1.00000
     13     -18.5428      1.00000
     14     -18.4790      1.00000
     15     -18.0272      1.00000
     16     -17.9617      1.00000
     17     -17.8235      1.00000
     18     -17.7949      1.00000
     19     -17.4983      1.00000
     20     -17.4471      1.00000
     21     -16.9306      1.00000
     22     -16.9006      1.00000
     23     -16.8377      1.00000
     24     -16.7970      1.00000
     25     -15.7641      1.00000
     26     -15.5638      1.00000
     27     -15.5288      1.00000
     28     -15.4956      1.00000
     29     -14.9152      1.00000
     30     -14.2362      1.00000
     31     -14.1899      1.00000
     32     -13.9594      1.00000
     33     -13.6351      1.00000
     34     -13.6248      1.00000
     35     -13.4976      1.00000
     36     -13.4717      1.00000
     37     -13.2955      1.00000
     38     -13.2342      1.00000
     39     -13.0271      1.00000
     40     -12.2912      1.00000
     41     -11.8993      1.00000
     42     -11.8011      1.00000
     43     -11.7516      1.00000
     44     -11.6872      1.00000
     45     -11.3970      1.00000
     46     -11.3255      1.00000
     47     -11.1855      1.00000
     48     -10.8042      1.00000
     49     -10.7877      1.00000
     50     -10.4577      1.00000
     51     -10.4017      1.00000
     52     -10.0294      1.00000
     53      -9.8912      1.00000
     54      -9.8736      1.00000
     55      -9.8350      1.00000
     56      -9.6891      1.00000
     57      -9.6827      1.00000
     58      -9.6469      1.00000
     59      -9.4825      1.00000
     60      -9.4664      1.00000
     61      -9.4425      1.00000
     62      -9.4299      1.00000
     63      -9.1277      1.00000
     64      -9.0359      1.00000
     65      -8.7650      1.00000
     66      -8.7410      1.00000
     67      -8.7034      1.00000
     68      -8.6011      1.00000
     69      -8.5425      1.00000
     70      -8.3968      1.00000
     71      -8.3687      1.00000
     72      -8.2522      1.00000
     73      -8.2129      1.00000
     74      -8.1585      1.00000
     75      -8.1320      1.00000
     76      -8.0410      1.00000
     77      -7.9098      1.00000
     78      -7.7665      1.00000
     79      -7.7044      1.00000
     80      -7.5837      1.00000
     81      -7.4400      1.00000
     82      -7.2884      1.00000
     83      -7.2096      1.00000
     84      -6.6967      1.00000
     85      -6.6093      1.00000
     86      -6.5556      1.00000
     87      -6.4507      1.00000
     88      -6.2411      1.00000
     89      -6.1651      1.00000
     90      -6.1009      1.00000
     91      -5.9062      1.00000
     92      -5.6733      1.00000
     93      -5.5113      1.00000
     94      -5.4700      1.00000
     95      -5.2742      1.00000
     96      -5.1172      1.00000
     97      -4.9385      1.00000
     98      -4.9053      1.00000
     99      -4.9011      1.00000
    100      -4.4884      1.00000
    101      -4.1587      1.00000
    102      -4.0458      1.00000
    103      -3.9256      1.00000
    104      -3.5703      1.00000
    105      -3.5131      1.00000
    106      -2.8570      1.00000
    107      -2.2499      0.00000
    108      -1.6794      0.00000
    109      -0.9095      0.00000
    110      -0.8645      0.00000
    111      -0.8602      0.00000
    112      -0.7840      0.00000
    113      -0.1991      0.00000
    114      -0.1663      0.00000
    115      -0.0187      0.00000
    116       0.0028      0.00000
    117       0.2436      0.00000
    118       0.3242      0.00000
    119       0.7707      0.00000
    120       0.8574      0.00000
    121       0.9376      0.00000
    122       1.0590      0.00000
    123       1.2838      0.00000
    124       1.5192      0.00000
    125       1.5916      0.00000
    126       1.6786      0.00000
    127       1.9598      0.00000
    128       2.0191      0.00000
    129       2.0651      0.00000
    130       2.1185      0.00000
    131       2.3017      0.00000
    132       2.3710      0.00000
    133       2.4820      0.00000
    134       2.5807      0.00000
    135       2.6720      0.00000
    136       2.7624      0.00000
    137       2.9341      0.00000
    138       2.9883      0.00000
    139       3.0388      0.00000
    140       3.0530      0.00000
    141       3.1478      0.00000
    142       3.1653      0.00000
    143       3.1827      0.00000
    144       3.2203      0.00000
    145       3.3322      0.00000
    146       3.3928      0.00000
    147       3.4501      0.00000
    148       3.4694      0.00000
    149       3.4969      0.00000
    150       3.5375      0.00000
    151       3.5710      0.00000
    152       3.6001      0.00000
    153       3.6322      0.00000
    154       3.6960      0.00000
    155       3.7875      0.00000
    156       3.8958      0.00000
    157       3.9483      0.00000
    158       4.0444      0.00000
    159       4.1893      0.00000
    160       4.2030      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9679      1.00000
      2     -21.6158      1.00000
      3     -21.5543      1.00000
      4     -21.0451      1.00000
      5     -21.0033      1.00000
      6     -20.4961      1.00000
      7     -20.4368      1.00000
      8     -20.2824      1.00000
      9     -19.7557      1.00000
     10     -19.7148      1.00000
     11     -19.3844      1.00000
     12     -19.3476      1.00000
     13     -18.6782      1.00000
     14     -18.6343      1.00000
     15     -18.3208      1.00000
     16     -18.2748      1.00000
     17     -18.1232      1.00000
     18     -17.3420      1.00000
     19     -17.2980      1.00000
     20     -17.2716      1.00000
     21     -17.2453      1.00000
     22     -16.8127      1.00000
     23     -16.7567      1.00000
     24     -16.6401      1.00000
     25     -15.6876      1.00000
     26     -15.5773      1.00000
     27     -15.2729      1.00000
     28     -15.2336      1.00000
     29     -14.9402      1.00000
     30     -14.5594      1.00000
     31     -14.4916      1.00000
     32     -14.2464      1.00000
     33     -14.2046      1.00000
     34     -13.8355      1.00000
     35     -13.8242      1.00000
     36     -12.8644      1.00000
     37     -12.7583      1.00000
     38     -12.6972      1.00000
     39     -12.6830      1.00000
     40     -12.4083      1.00000
     41     -12.3599      1.00000
     42     -12.0067      1.00000
     43     -11.9837      1.00000
     44     -11.3773      1.00000
     45     -11.2920      1.00000
     46     -11.2327      1.00000
     47     -11.1819      1.00000
     48     -10.6044      1.00000
     49     -10.5892      1.00000
     50     -10.3389      1.00000
     51     -10.2645      1.00000
     52     -10.2119      1.00000
     53     -10.1680      1.00000
     54     -10.1268      1.00000
     55     -10.0732      1.00000
     56     -10.0214      1.00000
     57      -9.7119      1.00000
     58      -9.5763      1.00000
     59      -9.2883      1.00000
     60      -9.2228      1.00000
     61      -9.1289      1.00000
     62      -9.0968      1.00000
     63      -9.0740      1.00000
     64      -9.0434      1.00000
     65      -9.0055      1.00000
     66      -8.9528      1.00000
     67      -8.8416      1.00000
     68      -8.7990      1.00000
     69      -8.7799      1.00000
     70      -8.5416      1.00000
     71      -8.5314      1.00000
     72      -8.4105      1.00000
     73      -8.2692      1.00000
     74      -8.1539      1.00000
     75      -7.8745      1.00000
     76      -7.8461      1.00000
     77      -7.6326      1.00000
     78      -7.5398      1.00000
     79      -7.5022      1.00000
     80      -7.4520      1.00000
     81      -7.3945      1.00000
     82      -7.3591      1.00000
     83      -7.1618      1.00000
     84      -7.0490      1.00000
     85      -6.6255      1.00000
     86      -6.5849      1.00000
     87      -6.4935      1.00000
     88      -6.3056      1.00000
     89      -6.0967      1.00000
     90      -6.0426      1.00000
     91      -5.9809      1.00000
     92      -5.8748      1.00000
     93      -5.7948      1.00000
     94      -5.4797      1.00000
     95      -5.2687      1.00000
     96      -5.0622      1.00000
     97      -4.9032      1.00000
     98      -4.7694      1.00000
     99      -4.5148      1.00000
    100      -4.4346      1.00000
    101      -4.1725      1.00000
    102      -4.0038      1.00000
    103      -3.8616      1.00000
    104      -3.5943      1.00000
    105      -3.5193      1.00000
    106      -3.1675      1.00000
    107      -1.9268      0.00000
    108      -1.6937      0.00000
    109      -0.9861      0.00000
    110      -0.8963      0.00000
    111      -0.8727      0.00000
    112      -0.6333      0.00000
    113      -0.5811      0.00000
    114      -0.4924      0.00000
    115      -0.4666      0.00000
    116       0.3752      0.00000
    117       0.5311      0.00000
    118       0.5764      0.00000
    119       0.8137      0.00000
    120       1.0923      0.00000
    121       1.0992      0.00000
    122       1.2249      0.00000
    123       1.3549      0.00000
    124       1.4702      0.00000
    125       1.6010      0.00000
    126       1.7416      0.00000
    127       1.8331      0.00000
    128       1.9960      0.00000
    129       2.0699      0.00000
    130       2.0946      0.00000
    131       2.1582      0.00000
    132       2.3426      0.00000
    133       2.3514      0.00000
    134       2.4559      0.00000
    135       2.5087      0.00000
    136       2.7551      0.00000
    137       2.8047      0.00000
    138       2.8428      0.00000
    139       2.8768      0.00000
    140       2.9153      0.00000
    141       3.0352      0.00000
    142       3.0459      0.00000
    143       3.1253      0.00000
    144       3.1684      0.00000
    145       3.2656      0.00000
    146       3.3129      0.00000
    147       3.3825      0.00000
    148       3.4833      0.00000
    149       3.5743      0.00000
    150       3.6101      0.00000
    151       3.6809      0.00000
    152       3.6961      0.00000
    153       3.8006      0.00000
    154       3.9012      0.00000
    155       3.9296      0.00000
    156       3.9832      0.00000
    157       4.0002      0.00000
    158       4.1049      0.00000
    159       4.1346      0.00000
    160       4.1634      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0413      1.00000
      2     -21.4837      1.00000
      3     -21.2959      1.00000
      4     -21.2687      1.00000
      5     -20.9307      1.00000
      6     -20.8957      1.00000
      7     -20.7172      1.00000
      8     -19.8270      1.00000
      9     -19.7898      1.00000
     10     -19.2804      1.00000
     11     -19.2515      1.00000
     12     -19.0755      1.00000
     13     -18.7656      1.00000
     14     -18.7238      1.00000
     15     -18.7053      1.00000
     16     -18.6947      1.00000
     17     -18.0332      1.00000
     18     -18.0112      1.00000
     19     -17.6781      1.00000
     20     -16.7368      1.00000
     21     -16.6905      1.00000
     22     -16.6230      1.00000
     23     -16.6054      1.00000
     24     -16.1592      1.00000
     25     -16.1275      1.00000
     26     -15.2781      1.00000
     27     -15.2605      1.00000
     28     -14.9057      1.00000
     29     -14.8966      1.00000
     30     -14.8734      1.00000
     31     -14.7791      1.00000
     32     -14.7329      1.00000
     33     -14.3727      1.00000
     34     -14.3547      1.00000
     35     -13.4073      1.00000
     36     -13.3825      1.00000
     37     -12.9130      1.00000
     38     -12.3491      1.00000
     39     -12.2469      1.00000
     40     -12.1265      1.00000
     41     -12.1130      1.00000
     42     -11.7796      1.00000
     43     -11.7632      1.00000
     44     -11.3899      1.00000
     45     -11.3616      1.00000
     46     -11.2632      1.00000
     47     -10.9015      1.00000
     48     -10.8937      1.00000
     49     -10.6756      1.00000
     50     -10.6730      1.00000
     51     -10.5970      1.00000
     52     -10.5561      1.00000
     53     -10.1990      1.00000
     54      -9.8741      1.00000
     55      -9.8200      1.00000
     56      -9.7594      1.00000
     57      -9.5678      1.00000
     58      -9.3673      1.00000
     59      -9.3561      1.00000
     60      -9.3246      1.00000
     61      -9.2979      1.00000
     62      -9.2353      1.00000
     63      -9.1976      1.00000
     64      -8.9934      1.00000
     65      -8.9692      1.00000
     66      -8.9191      1.00000
     67      -8.9070      1.00000
     68      -8.7998      1.00000
     69      -8.7883      1.00000
     70      -8.7776      1.00000
     71      -8.6113      1.00000
     72      -8.5431      1.00000
     73      -8.2705      1.00000
     74      -8.2646      1.00000
     75      -7.8170      1.00000
     76      -7.7243      1.00000
     77      -7.5741      1.00000
     78      -7.4996      1.00000
     79      -7.4598      1.00000
     80      -7.4187      1.00000
     81      -7.1393      1.00000
     82      -6.9893      1.00000
     83      -6.9696      1.00000
     84      -6.9383      1.00000
     85      -6.8813      1.00000
     86      -6.6796      1.00000
     87      -6.5604      1.00000
     88      -6.4392      1.00000
     89      -6.3906      1.00000
     90      -6.3065      1.00000
     91      -5.8641      1.00000
     92      -5.7915      1.00000
     93      -5.7685      1.00000
     94      -5.6540      1.00000
     95      -5.5950      1.00000
     96      -5.0432      1.00000
     97      -4.6195      1.00000
     98      -4.5246      1.00000
     99      -4.3632      1.00000
    100      -4.2383      1.00000
    101      -4.1828      1.00000
    102      -3.8308      1.00000
    103      -3.8014      1.00000
    104      -3.7298      1.00000
    105      -3.4506      1.00000
    106      -3.4213      1.00000
    107      -1.8099      0.00000
    108      -1.4342      0.00000
    109      -1.3859      0.00000
    110      -1.0262      0.00000
    111      -1.0020      0.00000
    112      -0.9771      0.00000
    113      -0.8564      0.00000
    114      -0.2675      0.00000
    115       0.0435      0.00000
    116       0.0724      0.00000
    117       0.7436      0.00000
    118       0.9098      0.00000
    119       0.9326      0.00000
    120       1.2034      0.00000
    121       1.2655      0.00000
    122       1.3563      0.00000
    123       1.4315      0.00000
    124       1.4728      0.00000
    125       1.5469      0.00000
    126       1.6832      0.00000
    127       1.7591      0.00000
    128       1.9624      0.00000
    129       1.9808      0.00000
    130       2.1668      0.00000
    131       2.2000      0.00000
    132       2.2311      0.00000
    133       2.3339      0.00000
    134       2.3868      0.00000
    135       2.4239      0.00000
    136       2.5337      0.00000
    137       2.7032      0.00000
    138       2.7347      0.00000
    139       2.7842      0.00000
    140       2.8187      0.00000
    141       2.8736      0.00000
    142       3.0444      0.00000
    143       3.1291      0.00000
    144       3.1509      0.00000
    145       3.1681      0.00000
    146       3.2127      0.00000
    147       3.2265      0.00000
    148       3.4195      0.00000
    149       3.4238      0.00000
    150       3.4865      0.00000
    151       3.6007      0.00000
    152       3.6037      0.00000
    153       3.7875      0.00000
    154       3.8578      0.00000
    155       3.9234      0.00000
    156       4.0043      0.00000
    157       4.1316      0.00000
    158       4.1608      0.00000
    159       4.2073      0.00000
    160       4.3151      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8488      1.00000
      2     -21.7855      1.00000
      3     -21.6151      1.00000
      4     -21.0629      1.00000
      5     -20.7012      1.00000
      6     -20.6785      1.00000
      7     -20.1528      1.00000
      8     -20.1270      1.00000
      9     -19.9469      1.00000
     10     -19.9466      1.00000
     11     -19.6077      1.00000
     12     -19.5625      1.00000
     13     -18.5432      1.00000
     14     -18.4861      1.00000
     15     -17.9955      1.00000
     16     -17.9816      1.00000
     17     -17.8143      1.00000
     18     -17.8083      1.00000
     19     -17.4767      1.00000
     20     -17.4633      1.00000
     21     -16.9352      1.00000
     22     -16.9074      1.00000
     23     -16.8216      1.00000
     24     -16.8024      1.00000
     25     -15.7937      1.00000
     26     -15.5330      1.00000
     27     -15.5307      1.00000
     28     -15.5154      1.00000
     29     -14.8920      1.00000
     30     -14.2217      1.00000
     31     -14.2013      1.00000
     32     -13.9374      1.00000
     33     -13.6702      1.00000
     34     -13.6280      1.00000
     35     -13.4965      1.00000
     36     -13.4812      1.00000
     37     -13.2710      1.00000
     38     -13.2443      1.00000
     39     -13.0312      1.00000
     40     -12.3171      1.00000
     41     -11.8397      1.00000
     42     -11.8272      1.00000
     43     -11.7215      1.00000
     44     -11.6867      1.00000
     45     -11.4148      1.00000
     46     -11.3427      1.00000
     47     -11.1767      1.00000
     48     -10.8047      1.00000
     49     -10.7961      1.00000
     50     -10.4569      1.00000
     51     -10.4022      1.00000
     52     -10.0388      1.00000
     53      -9.8787      1.00000
     54      -9.8695      1.00000
     55      -9.8501      1.00000
     56      -9.7017      1.00000
     57      -9.6629      1.00000
     58      -9.6475      1.00000
     59      -9.4952      1.00000
     60      -9.4666      1.00000
     61      -9.4441      1.00000
     62      -9.4322      1.00000
     63      -9.1282      1.00000
     64      -9.0328      1.00000
     65      -8.7666      1.00000
     66      -8.7301      1.00000
     67      -8.6719      1.00000
     68      -8.6306      1.00000
     69      -8.5350      1.00000
     70      -8.3811      1.00000
     71      -8.3727      1.00000
     72      -8.2408      1.00000
     73      -8.2207      1.00000
     74      -8.1336      1.00000
     75      -8.1329      1.00000
     76      -8.0098      1.00000
     77      -7.9739      1.00000
     78      -7.7667      1.00000
     79      -7.7289      1.00000
     80      -7.6248      1.00000
     81      -7.3741      1.00000
     82      -7.2939      1.00000
     83      -7.1849      1.00000
     84      -6.7396      1.00000
     85      -6.6315      1.00000
     86      -6.5623      1.00000
     87      -6.3092      1.00000
     88      -6.2280      1.00000
     89      -6.1649      1.00000
     90      -6.1358      1.00000
     91      -6.0560      1.00000
     92      -5.6743      1.00000
     93      -5.4875      1.00000
     94      -5.4519      1.00000
     95      -5.2987      1.00000
     96      -5.0922      1.00000
     97      -4.9185      1.00000
     98      -4.9101      1.00000
     99      -4.8767      1.00000
    100      -4.4589      1.00000
    101      -4.1487      1.00000
    102      -4.0206      1.00000
    103      -3.9532      1.00000
    104      -3.5832      1.00000
    105      -3.5311      1.00000
    106      -2.9593      1.00000
    107      -2.1042      0.00000
    108      -1.7288      0.00000
    109      -0.8658      0.00000
    110      -0.8640      0.00000
    111      -0.8568      0.00000
    112      -0.8326      0.00000
    113      -0.1870      0.00000
    114      -0.1729      0.00000
    115      -0.0389      0.00000
    116      -0.0163      0.00000
    117       0.2947      0.00000
    118       0.3030      0.00000
    119       0.7497      0.00000
    120       0.8494      0.00000
    121       0.9908      0.00000
    122       1.0308      0.00000
    123       1.2453      0.00000
    124       1.5749      0.00000
    125       1.5780      0.00000
    126       1.6567      0.00000
    127       1.9651      0.00000
    128       2.0252      0.00000
    129       2.0685      0.00000
    130       2.1236      0.00000
    131       2.2992      0.00000
    132       2.3706      0.00000
    133       2.5396      0.00000
    134       2.5553      0.00000
    135       2.6554      0.00000
    136       2.8291      0.00000
    137       2.9319      0.00000
    138       2.9595      0.00000
    139       3.0277      0.00000
    140       3.0530      0.00000
    141       3.1178      0.00000
    142       3.1627      0.00000
    143       3.1966      0.00000
    144       3.2150      0.00000
    145       3.3348      0.00000
    146       3.3889      0.00000
    147       3.4350      0.00000
    148       3.4714      0.00000
    149       3.5048      0.00000
    150       3.5385      0.00000
    151       3.5601      0.00000
    152       3.5759      0.00000
    153       3.6292      0.00000
    154       3.6823      0.00000
    155       3.8045      0.00000
    156       3.9166      0.00000
    157       3.9485      0.00000
    158       4.0441      0.00000
    159       4.1796      0.00000
    160       4.1993      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9319      1.00000
      2     -21.7365      1.00000
      3     -21.3731      1.00000
      4     -21.3435      1.00000
      5     -20.6361      1.00000
      6     -20.5989      1.00000
      7     -20.2659      1.00000
      8     -20.2381      1.00000
      9     -20.2296      1.00000
     10     -19.6937      1.00000
     11     -19.1730      1.00000
     12     -19.1433      1.00000
     13     -18.9770      1.00000
     14     -18.9619      1.00000
     15     -18.1074      1.00000
     16     -18.0721      1.00000
     17     -17.5983      1.00000
     18     -17.5735      1.00000
     19     -17.4235      1.00000
     20     -17.3863      1.00000
     21     -17.1122      1.00000
     22     -17.0897      1.00000
     23     -17.0003      1.00000
     24     -16.1580      1.00000
     25     -16.1229      1.00000
     26     -15.6394      1.00000
     27     -15.0814      1.00000
     28     -15.0634      1.00000
     29     -14.7705      1.00000
     30     -14.7490      1.00000
     31     -14.5118      1.00000
     32     -14.5039      1.00000
     33     -13.9894      1.00000
     34     -13.9198      1.00000
     35     -13.1480      1.00000
     36     -13.0668      1.00000
     37     -12.8562      1.00000
     38     -12.8327      1.00000
     39     -12.6602      1.00000
     40     -12.6382      1.00000
     41     -12.2909      1.00000
     42     -12.2693      1.00000
     43     -11.8825      1.00000
     44     -11.2739      1.00000
     45     -11.2487      1.00000
     46     -11.1800      1.00000
     47     -10.9814      1.00000
     48     -10.9393      1.00000
     49     -10.8089      1.00000
     50     -10.3771      1.00000
     51     -10.3342      1.00000
     52     -10.0934      1.00000
     53      -9.9839      1.00000
     54      -9.9835      1.00000
     55      -9.8550      1.00000
     56      -9.7951      1.00000
     57      -9.7641      1.00000
     58      -9.4798      1.00000
     59      -9.4203      1.00000
     60      -9.3895      1.00000
     61      -9.3745      1.00000
     62      -9.3668      1.00000
     63      -9.3192      1.00000
     64      -9.0349      1.00000
     65      -9.0201      1.00000
     66      -8.9888      1.00000
     67      -8.6540      1.00000
     68      -8.6335      1.00000
     69      -8.5807      1.00000
     70      -8.4572      1.00000
     71      -8.2621      1.00000
     72      -8.1963      1.00000
     73      -8.0964      1.00000
     74      -8.0582      1.00000
     75      -7.9729      1.00000
     76      -7.9666      1.00000
     77      -7.9301      1.00000
     78      -7.9134      1.00000
     79      -7.9012      1.00000
     80      -7.4892      1.00000
     81      -7.2153      1.00000
     82      -7.0226      1.00000
     83      -6.9409      1.00000
     84      -6.8760      1.00000
     85      -6.8227      1.00000
     86      -6.6730      1.00000
     87      -6.6337      1.00000
     88      -6.2870      1.00000
     89      -6.2622      1.00000
     90      -6.1392      1.00000
     91      -5.9473      1.00000
     92      -5.6318      1.00000
     93      -5.5170      1.00000
     94      -5.3923      1.00000
     95      -5.3187      1.00000
     96      -5.0070      1.00000
     97      -4.9732      1.00000
     98      -4.9067      1.00000
     99      -4.8795      1.00000
    100      -4.2442      1.00000
    101      -4.1663      1.00000
    102      -3.9680      1.00000
    103      -3.7917      1.00000
    104      -3.6105      1.00000
    105      -3.5024      1.00000
    106      -3.3589      1.00000
    107      -1.7452      0.00000
    108      -1.5208      0.00000
    109      -1.4825      0.00000
    110      -0.7657      0.00000
    111      -0.7144      0.00000
    112      -0.6993      0.00000
    113      -0.3508      0.00000
    114      -0.3427      0.00000
    115      -0.2930      0.00000
    116      -0.2790      0.00000
    117       0.4671      0.00000
    118       0.5392      0.00000
    119       0.8229      0.00000
    120       1.0685      0.00000
    121       1.1250      0.00000
    122       1.3356      0.00000
    123       1.5356      0.00000
    124       1.5455      0.00000
    125       1.6290      0.00000
    126       1.7268      0.00000
    127       1.8641      0.00000
    128       1.9041      0.00000
    129       1.9438      0.00000
    130       2.0317      0.00000
    131       2.1438      0.00000
    132       2.2700      0.00000
    133       2.3542      0.00000
    134       2.5025      0.00000
    135       2.6205      0.00000
    136       2.6582      0.00000
    137       2.6855      0.00000
    138       2.7620      0.00000
    139       2.8991      0.00000
    140       2.9406      0.00000
    141       3.0330      0.00000
    142       3.1986      0.00000
    143       3.2267      0.00000
    144       3.2561      0.00000
    145       3.3667      0.00000
    146       3.4018      0.00000
    147       3.4720      0.00000
    148       3.5693      0.00000
    149       3.6363      0.00000
    150       3.6393      0.00000
    151       3.6614      0.00000
    152       3.7015      0.00000
    153       3.8258      0.00000
    154       3.8680      0.00000
    155       3.9199      0.00000
    156       3.9201      0.00000
    157       4.0009      0.00000
    158       4.0404      0.00000
    159       4.0855      0.00000
    160       4.0889      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0784      1.00000
      2     -21.2445      1.00000
      3     -21.1345      1.00000
      4     -21.1230      1.00000
      5     -21.1155      1.00000
      6     -21.0987      1.00000
      7     -21.0965      1.00000
      8     -19.3810      1.00000
      9     -19.3008      1.00000
     10     -19.2938      1.00000
     11     -19.2877      1.00000
     12     -19.2684      1.00000
     13     -19.2657      1.00000
     14     -18.4721      1.00000
     15     -18.4108      1.00000
     16     -18.4057      1.00000
     17     -18.3809      1.00000
     18     -18.3755      1.00000
     19     -18.3687      1.00000
     20     -16.3376      1.00000
     21     -16.2560      1.00000
     22     -16.2543      1.00000
     23     -16.2452      1.00000
     24     -16.2271      1.00000
     25     -16.2268      1.00000
     26     -15.3097      1.00000
     27     -15.2652      1.00000
     28     -15.2397      1.00000
     29     -15.2293      1.00000
     30     -15.2239      1.00000
     31     -15.2150      1.00000
     32     -13.9623      1.00000
     33     -13.9236      1.00000
     34     -13.9013      1.00000
     35     -13.8947      1.00000
     36     -13.8889      1.00000
     37     -13.8757      1.00000
     38     -11.7466      1.00000
     39     -11.5657      1.00000
     40     -11.5297      1.00000
     41     -11.5235      1.00000
     42     -11.5195      1.00000
     43     -11.5189      1.00000
     44     -11.4379      1.00000
     45     -11.4327      1.00000
     46     -11.4096      1.00000
     47     -11.3903      1.00000
     48     -11.3889      1.00000
     49     -11.3885      1.00000
     50     -11.1365      1.00000
     51     -10.2571      1.00000
     52     -10.0689      1.00000
     53     -10.0601      1.00000
     54     -10.0401      1.00000
     55     -10.0394      1.00000
     56     -10.0217      1.00000
     57      -9.9981      1.00000
     58      -9.4112      1.00000
     59      -9.1377      1.00000
     60      -9.0956      1.00000
     61      -9.0536      1.00000
     62      -9.0379      1.00000
     63      -9.0341      1.00000
     64      -8.8486      1.00000
     65      -8.7836      1.00000
     66      -8.7817      1.00000
     67      -8.7682      1.00000
     68      -8.7586      1.00000
     69      -8.7372      1.00000
     70      -8.7330      1.00000
     71      -8.7303      1.00000
     72      -8.7300      1.00000
     73      -8.7075      1.00000
     74      -8.6914      1.00000
     75      -8.6909      1.00000
     76      -7.3972      1.00000
     77      -7.2342      1.00000
     78      -7.1813      1.00000
     79      -7.1526      1.00000
     80      -7.1061      1.00000
     81      -7.1045      1.00000
     82      -7.0853      1.00000
     83      -7.0767      1.00000
     84      -6.9405      1.00000
     85      -6.9286      1.00000
     86      -6.9230      1.00000
     87      -6.9143      1.00000
     88      -6.3275      1.00000
     89      -6.2892      1.00000
     90      -6.0985      1.00000
     91      -6.0692      1.00000
     92      -6.0306      1.00000
     93      -6.0294      1.00000
     94      -5.6493      1.00000
     95      -5.6132      1.00000
     96      -4.9837      1.00000
     97      -4.6191      1.00000
     98      -4.2668      1.00000
     99      -4.2531      1.00000
    100      -4.0682      1.00000
    101      -4.0647      1.00000
    102      -4.0187      1.00000
    103      -3.8760      1.00000
    104      -3.5665      1.00000
    105      -3.4661      1.00000
    106      -3.4279      1.00000
    107      -1.8987      0.00000
    108      -1.2877      0.00000
    109      -1.2624      0.00000
    110      -1.2607      0.00000
    111      -1.2518      0.00000
    112      -1.2164      0.00000
    113      -1.0468      0.00000
    114       0.3643      0.00000
    115       0.4571      0.00000
    116       0.5333      0.00000
    117       0.5728      0.00000
    118       0.5867      0.00000
    119       0.5873      0.00000
    120       0.7596      0.00000
    121       1.2510      0.00000
    122       1.3226      0.00000
    123       1.3332      0.00000
    124       1.6523      0.00000
    125       1.9307      0.00000
    126       1.9350      0.00000
    127       1.9517      0.00000
    128       2.0201      0.00000
    129       2.1719      0.00000
    130       2.2906      0.00000
    131       2.2948      0.00000
    132       2.2956      0.00000
    133       2.2989      0.00000
    134       2.3055      0.00000
    135       2.3442      0.00000
    136       2.4092      0.00000
    137       2.5208      0.00000
    138       2.6665      0.00000
    139       2.6705      0.00000
    140       2.7180      0.00000
    141       2.7577      0.00000
    142       2.8391      0.00000
    143       2.8603      0.00000
    144       2.9951      0.00000
    145       3.0027      0.00000
    146       3.0041      0.00000
    147       3.0165      0.00000
    148       3.2753      0.00000
    149       3.4710      0.00000
    150       3.5988      0.00000
    151       3.7475      0.00000
    152       3.7603      0.00000
    153       3.9190      0.00000
    154       3.9256      0.00000
    155       3.9483      0.00000
    156       3.9820      0.00000
    157       4.1782      0.00000
    158       4.1801      0.00000
    159       4.3220      0.00000
    160       4.3258      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0414      1.00000
      2     -21.4820      1.00000
      3     -21.2998      1.00000
      4     -21.2670      1.00000
      5     -20.9309      1.00000
      6     -20.8934      1.00000
      7     -20.7191      1.00000
      8     -19.8283      1.00000
      9     -19.7884      1.00000
     10     -19.2789      1.00000
     11     -19.2486      1.00000
     12     -19.0815      1.00000
     13     -18.7580      1.00000
     14     -18.7212      1.00000
     15     -18.7098      1.00000
     16     -18.6978      1.00000
     17     -18.0326      1.00000
     18     -18.0077      1.00000
     19     -17.6857      1.00000
     20     -16.7469      1.00000
     21     -16.6918      1.00000
     22     -16.6185      1.00000
     23     -16.6026      1.00000
     24     -16.1436      1.00000
     25     -16.1222      1.00000
     26     -15.2935      1.00000
     27     -15.2643      1.00000
     28     -14.9395      1.00000
     29     -14.9003      1.00000
     30     -14.8426      1.00000
     31     -14.7632      1.00000
     32     -14.7343      1.00000
     33     -14.3741      1.00000
     34     -14.3567      1.00000
     35     -13.4113      1.00000
     36     -13.3865      1.00000
     37     -12.9083      1.00000
     38     -12.3070      1.00000
     39     -12.2514      1.00000
     40     -12.1266      1.00000
     41     -12.1077      1.00000
     42     -11.8254      1.00000
     43     -11.7741      1.00000
     44     -11.4401      1.00000
     45     -11.3490      1.00000
     46     -11.2037      1.00000
     47     -10.9018      1.00000
     48     -10.8891      1.00000
     49     -10.6864      1.00000
     50     -10.6722      1.00000
     51     -10.5934      1.00000
     52     -10.5684      1.00000
     53     -10.1908      1.00000
     54      -9.8280      1.00000
     55      -9.8179      1.00000
     56      -9.7723      1.00000
     57      -9.5755      1.00000
     58      -9.4000      1.00000
     59      -9.3712      1.00000
     60      -9.3093      1.00000
     61      -9.2830      1.00000
     62      -9.2479      1.00000
     63      -9.2031      1.00000
     64      -8.9847      1.00000
     65      -8.9747      1.00000
     66      -8.9258      1.00000
     67      -8.8820      1.00000
     68      -8.8173      1.00000
     69      -8.7822      1.00000
     70      -8.7727      1.00000
     71      -8.6099      1.00000
     72      -8.5443      1.00000
     73      -8.2956      1.00000
     74      -8.2683      1.00000
     75      -7.7831      1.00000
     76      -7.7204      1.00000
     77      -7.5658      1.00000
     78      -7.5343      1.00000
     79      -7.4323      1.00000
     80      -7.4299      1.00000
     81      -7.0724      1.00000
     82      -7.0468      1.00000
     83      -7.0206      1.00000
     84      -6.9821      1.00000
     85      -6.7927      1.00000
     86      -6.6954      1.00000
     87      -6.5520      1.00000
     88      -6.4651      1.00000
     89      -6.3658      1.00000
     90      -6.3047      1.00000
     91      -5.8401      1.00000
     92      -5.8119      1.00000
     93      -5.8009      1.00000
     94      -5.6893      1.00000
     95      -5.4779      1.00000
     96      -5.0476      1.00000
     97      -4.7413      1.00000
     98      -4.4584      1.00000
     99      -4.3724      1.00000
    100      -4.2094      1.00000
    101      -4.1654      1.00000
    102      -4.0186      1.00000
    103      -3.8278      1.00000
    104      -3.5236      1.00000
    105      -3.4550      1.00000
    106      -3.4029      1.00000
    107      -1.9183      0.00000
    108      -1.4340      0.00000
    109      -1.3130      0.00000
    110      -1.0115      0.00000
    111      -0.9747      0.00000
    112      -0.9578      0.00000
    113      -0.9110      0.00000
    114      -0.3115      0.00000
    115       0.0592      0.00000
    116       0.1049      0.00000
    117       0.7601      0.00000
    118       0.8736      0.00000
    119       1.0136      0.00000
    120       1.0799      0.00000
    121       1.2837      0.00000
    122       1.3675      0.00000
    123       1.4284      0.00000
    124       1.4948      0.00000
    125       1.5627      0.00000
    126       1.6742      0.00000
    127       1.7621      0.00000
    128       1.9646      0.00000
    129       1.9855      0.00000
    130       2.1191      0.00000
    131       2.2009      0.00000
    132       2.2599      0.00000
    133       2.3368      0.00000
    134       2.3742      0.00000
    135       2.4248      0.00000
    136       2.5321      0.00000
    137       2.7079      0.00000
    138       2.7369      0.00000
    139       2.7745      0.00000
    140       2.8306      0.00000
    141       2.8814      0.00000
    142       3.0560      0.00000
    143       3.1177      0.00000
    144       3.1266      0.00000
    145       3.1591      0.00000
    146       3.1851      0.00000
    147       3.2388      0.00000
    148       3.4227      0.00000
    149       3.4703      0.00000
    150       3.4948      0.00000
    151       3.5994      0.00000
    152       3.6038      0.00000
    153       3.7886      0.00000
    154       3.8557      0.00000
    155       3.9260      0.00000
    156       4.0287      0.00000
    157       4.1285      0.00000
    158       4.1415      0.00000
    159       4.2030      0.00000
    160       4.3003      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9331      1.00000
      2     -21.7341      1.00000
      3     -21.3762      1.00000
      4     -21.3416      1.00000
      5     -20.6376      1.00000
      6     -20.5972      1.00000
      7     -20.2746      1.00000
      8     -20.2347      1.00000
      9     -20.2251      1.00000
     10     -19.6942      1.00000
     11     -19.1751      1.00000
     12     -19.1416      1.00000
     13     -18.9754      1.00000
     14     -18.9565      1.00000
     15     -18.1156      1.00000
     16     -18.0719      1.00000
     17     -17.5994      1.00000
     18     -17.5696      1.00000
     19     -17.4276      1.00000
     20     -17.3876      1.00000
     21     -17.1107      1.00000
     22     -17.0878      1.00000
     23     -17.0103      1.00000
     24     -16.1390      1.00000
     25     -16.1187      1.00000
     26     -15.6242      1.00000
     27     -15.0940      1.00000
     28     -15.0668      1.00000
     29     -14.7760      1.00000
     30     -14.7521      1.00000
     31     -14.5427      1.00000
     32     -14.5099      1.00000
     33     -13.9601      1.00000
     34     -13.9226      1.00000
     35     -13.1173      1.00000
     36     -13.0705      1.00000
     37     -12.8674      1.00000
     38     -12.8379      1.00000
     39     -12.6445      1.00000
     40     -12.6297      1.00000
     41     -12.3085      1.00000
     42     -12.2760      1.00000
     43     -11.8789      1.00000
     44     -11.3708      1.00000
     45     -11.2056      1.00000
     46     -11.1537      1.00000
     47     -10.9592      1.00000
     48     -10.9495      1.00000
     49     -10.8102      1.00000
     50     -10.3489      1.00000
     51     -10.3335      1.00000
     52     -10.0944      1.00000
     53      -9.9887      1.00000
     54      -9.9836      1.00000
     55      -9.8420      1.00000
     56      -9.7866      1.00000
     57      -9.7806      1.00000
     58      -9.4625      1.00000
     59      -9.4447      1.00000
     60      -9.3995      1.00000
     61      -9.3696      1.00000
     62      -9.3533      1.00000
     63      -9.3227      1.00000
     64      -9.0326      1.00000
     65      -9.0202      1.00000
     66      -8.9865      1.00000
     67      -8.7019      1.00000
     68      -8.6336      1.00000
     69      -8.5447      1.00000
     70      -8.4763      1.00000
     71      -8.2734      1.00000
     72      -8.1895      1.00000
     73      -8.0701      1.00000
     74      -8.0555      1.00000
     75      -8.0109      1.00000
     76      -7.9577      1.00000
     77      -7.9326      1.00000
     78      -7.9266      1.00000
     79      -7.9037      1.00000
     80      -7.4688      1.00000
     81      -7.0713      1.00000
     82      -7.0284      1.00000
     83      -7.0177      1.00000
     84      -6.9191      1.00000
     85      -6.8958      1.00000
     86      -6.6626      1.00000
     87      -6.6543      1.00000
     88      -6.3043      1.00000
     89      -6.2416      1.00000
     90      -5.9747      1.00000
     91      -5.9092      1.00000
     92      -5.7341      1.00000
     93      -5.5207      1.00000
     94      -5.3939      1.00000
     95      -5.2318      1.00000
     96      -5.0651      1.00000
     97      -5.0023      1.00000
     98      -4.9016      1.00000
     99      -4.9002      1.00000
    100      -4.3185      1.00000
    101      -4.1603      1.00000
    102      -4.0607      1.00000
    103      -3.7715      1.00000
    104      -3.5590      1.00000
    105      -3.3573      1.00000
    106      -3.3469      1.00000
    107      -1.9423      0.00000
    108      -1.5315      0.00000
    109      -1.3406      0.00000
    110      -0.8293      0.00000
    111      -0.7063      0.00000
    112      -0.6617      0.00000
    113      -0.3473      0.00000
    114      -0.3131      0.00000
    115      -0.3026      0.00000
    116      -0.2822      0.00000
    117       0.4534      0.00000
    118       0.5395      0.00000
    119       0.8223      0.00000
    120       1.0789      0.00000
    121       1.1356      0.00000
    122       1.4157      0.00000
    123       1.5076      0.00000
    124       1.5559      0.00000
    125       1.6057      0.00000
    126       1.7088      0.00000
    127       1.8675      0.00000
    128       1.8927      0.00000
    129       1.9402      0.00000
    130       2.0507      0.00000
    131       2.0963      0.00000
    132       2.1956      0.00000
    133       2.3549      0.00000
    134       2.5190      0.00000
    135       2.6208      0.00000
    136       2.6544      0.00000
    137       2.7056      0.00000
    138       2.7576      0.00000
    139       2.9015      0.00000
    140       2.9689      0.00000
    141       3.0328      0.00000
    142       3.1990      0.00000
    143       3.2274      0.00000
    144       3.2582      0.00000
    145       3.3776      0.00000
    146       3.4143      0.00000
    147       3.4706      0.00000
    148       3.5408      0.00000
    149       3.6202      0.00000
    150       3.6404      0.00000
    151       3.6819      0.00000
    152       3.6989      0.00000
    153       3.8254      0.00000
    154       3.8956      0.00000
    155       3.9205      0.00000
    156       3.9403      0.00000
    157       3.9924      0.00000
    158       4.0222      0.00000
    159       4.0949      0.00000
    160       4.1005      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9683      1.00000
      2     -21.6098      1.00000
      3     -21.5603      1.00000
      4     -21.0360      1.00000
      5     -21.0124      1.00000
      6     -20.4908      1.00000
      7     -20.4427      1.00000
      8     -20.2833      1.00000
      9     -19.7347      1.00000
     10     -19.7327      1.00000
     11     -19.3780      1.00000
     12     -19.3563      1.00000
     13     -18.6570      1.00000
     14     -18.6530      1.00000
     15     -18.3015      1.00000
     16     -18.2914      1.00000
     17     -18.1242      1.00000
     18     -17.3539      1.00000
     19     -17.2922      1.00000
     20     -17.2795      1.00000
     21     -17.2528      1.00000
     22     -16.7863      1.00000
     23     -16.7731      1.00000
     24     -16.6256      1.00000
     25     -15.6621      1.00000
     26     -15.6068      1.00000
     27     -15.2510      1.00000
     28     -15.2412      1.00000
     29     -14.9725      1.00000
     30     -14.5279      1.00000
     31     -14.4988      1.00000
     32     -14.2520      1.00000
     33     -14.2118      1.00000
     34     -13.8383      1.00000
     35     -13.8307      1.00000
     36     -12.8120      1.00000
     37     -12.7571      1.00000
     38     -12.7172      1.00000
     39     -12.6929      1.00000
     40     -12.3873      1.00000
     41     -12.3785      1.00000
     42     -12.0056      1.00000
     43     -11.9791      1.00000
     44     -11.4422      1.00000
     45     -11.3049      1.00000
     46     -11.2436      1.00000
     47     -11.1259      1.00000
     48     -10.6056      1.00000
     49     -10.5900      1.00000
     50     -10.3023      1.00000
     51     -10.2911      1.00000
     52     -10.1709      1.00000
     53     -10.1692      1.00000
     54     -10.1109      1.00000
     55     -10.0993      1.00000
     56     -10.0217      1.00000
     57      -9.7099      1.00000
     58      -9.5812      1.00000
     59      -9.2836      1.00000
     60      -9.2269      1.00000
     61      -9.1508      1.00000
     62      -9.0818      1.00000
     63      -9.0643      1.00000
     64      -9.0445      1.00000
     65      -8.9984      1.00000
     66      -8.9672      1.00000
     67      -8.8612      1.00000
     68      -8.8273      1.00000
     69      -8.7831      1.00000
     70      -8.5346      1.00000
     71      -8.5282      1.00000
     72      -8.3977      1.00000
     73      -8.2793      1.00000
     74      -8.1257      1.00000
     75      -7.8828      1.00000
     76      -7.8440      1.00000
     77      -7.5995      1.00000
     78      -7.5334      1.00000
     79      -7.5028      1.00000
     80      -7.4996      1.00000
     81      -7.3868      1.00000
     82      -7.3746      1.00000
     83      -7.1322      1.00000
     84      -7.0760      1.00000
     85      -6.6049      1.00000
     86      -6.5798      1.00000
     87      -6.4805      1.00000
     88      -6.3520      1.00000
     89      -6.1130      1.00000
     90      -6.0506      1.00000
     91      -5.9787      1.00000
     92      -5.8984      1.00000
     93      -5.7318      1.00000
     94      -5.3402      1.00000
     95      -5.1656      1.00000
     96      -5.1241      1.00000
     97      -5.0546      1.00000
     98      -4.9018      1.00000
     99      -4.4504      1.00000
    100      -4.3964      1.00000
    101      -4.1585      1.00000
    102      -4.0360      1.00000
    103      -3.9387      1.00000
    104      -3.5524      1.00000
    105      -3.4878      1.00000
    106      -3.0578      1.00000
    107      -2.1229      0.00000
    108      -1.6013      0.00000
    109      -0.9393      0.00000
    110      -0.9065      0.00000
    111      -0.8429      0.00000
    112      -0.6360      0.00000
    113      -0.6275      0.00000
    114      -0.4956      0.00000
    115      -0.4837      0.00000
    116       0.4901      0.00000
    117       0.4923      0.00000
    118       0.5888      0.00000
    119       0.7916      0.00000
    120       1.0291      0.00000
    121       1.0838      0.00000
    122       1.2922      0.00000
    123       1.3033      0.00000
    124       1.4752      0.00000
    125       1.6362      0.00000
    126       1.7176      0.00000
    127       1.8342      0.00000
    128       2.0086      0.00000
    129       2.0630      0.00000
    130       2.0913      0.00000
    131       2.1681      0.00000
    132       2.3026      0.00000
    133       2.3467      0.00000
    134       2.4464      0.00000
    135       2.5490      0.00000
    136       2.7460      0.00000
    137       2.8072      0.00000
    138       2.8432      0.00000
    139       2.8837      0.00000
    140       2.9054      0.00000
    141       3.0492      0.00000
    142       3.0522      0.00000
    143       3.1225      0.00000
    144       3.1688      0.00000
    145       3.2647      0.00000
    146       3.3042      0.00000
    147       3.3721      0.00000
    148       3.4823      0.00000
    149       3.5868      0.00000
    150       3.5980      0.00000
    151       3.6809      0.00000
    152       3.6959      0.00000
    153       3.8041      0.00000
    154       3.8975      0.00000
    155       3.9546      0.00000
    156       3.9795      0.00000
    157       4.0021      0.00000
    158       4.0915      0.00000
    159       4.1690      0.00000
    160       4.1708      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8526      1.00000
      2     -21.7797      1.00000
      3     -21.6170      1.00000
      4     -21.0624      1.00000
      5     -20.7109      1.00000
      6     -20.6691      1.00000
      7     -20.1629      1.00000
      8     -20.1163      1.00000
      9     -19.9621      1.00000
     10     -19.9322      1.00000
     11     -19.6140      1.00000
     12     -19.5561      1.00000
     13     -18.5428      1.00000
     14     -18.4790      1.00000
     15     -18.0272      1.00000
     16     -17.9617      1.00000
     17     -17.8235      1.00000
     18     -17.7949      1.00000
     19     -17.4983      1.00000
     20     -17.4471      1.00000
     21     -16.9306      1.00000
     22     -16.9006      1.00000
     23     -16.8377      1.00000
     24     -16.7970      1.00000
     25     -15.7641      1.00000
     26     -15.5638      1.00000
     27     -15.5288      1.00000
     28     -15.4956      1.00000
     29     -14.9152      1.00000
     30     -14.2362      1.00000
     31     -14.1899      1.00000
     32     -13.9594      1.00000
     33     -13.6351      1.00000
     34     -13.6248      1.00000
     35     -13.4976      1.00000
     36     -13.4717      1.00000
     37     -13.2955      1.00000
     38     -13.2342      1.00000
     39     -13.0271      1.00000
     40     -12.2912      1.00000
     41     -11.8993      1.00000
     42     -11.8011      1.00000
     43     -11.7516      1.00000
     44     -11.6872      1.00000
     45     -11.3970      1.00000
     46     -11.3255      1.00000
     47     -11.1855      1.00000
     48     -10.8042      1.00000
     49     -10.7877      1.00000
     50     -10.4577      1.00000
     51     -10.4017      1.00000
     52     -10.0294      1.00000
     53      -9.8912      1.00000
     54      -9.8736      1.00000
     55      -9.8350      1.00000
     56      -9.6891      1.00000
     57      -9.6827      1.00000
     58      -9.6469      1.00000
     59      -9.4825      1.00000
     60      -9.4664      1.00000
     61      -9.4425      1.00000
     62      -9.4299      1.00000
     63      -9.1277      1.00000
     64      -9.0359      1.00000
     65      -8.7650      1.00000
     66      -8.7410      1.00000
     67      -8.7034      1.00000
     68      -8.6011      1.00000
     69      -8.5425      1.00000
     70      -8.3968      1.00000
     71      -8.3687      1.00000
     72      -8.2522      1.00000
     73      -8.2129      1.00000
     74      -8.1585      1.00000
     75      -8.1320      1.00000
     76      -8.0410      1.00000
     77      -7.9098      1.00000
     78      -7.7665      1.00000
     79      -7.7044      1.00000
     80      -7.5837      1.00000
     81      -7.4400      1.00000
     82      -7.2884      1.00000
     83      -7.2096      1.00000
     84      -6.6967      1.00000
     85      -6.6093      1.00000
     86      -6.5556      1.00000
     87      -6.4507      1.00000
     88      -6.2411      1.00000
     89      -6.1651      1.00000
     90      -6.1009      1.00000
     91      -5.9062      1.00000
     92      -5.6733      1.00000
     93      -5.5113      1.00000
     94      -5.4700      1.00000
     95      -5.2742      1.00000
     96      -5.1172      1.00000
     97      -4.9385      1.00000
     98      -4.9053      1.00000
     99      -4.9011      1.00000
    100      -4.4884      1.00000
    101      -4.1587      1.00000
    102      -4.0458      1.00000
    103      -3.9256      1.00000
    104      -3.5703      1.00000
    105      -3.5131      1.00000
    106      -2.8570      1.00000
    107      -2.2499      0.00000
    108      -1.6794      0.00000
    109      -0.9095      0.00000
    110      -0.8645      0.00000
    111      -0.8602      0.00000
    112      -0.7840      0.00000
    113      -0.1991      0.00000
    114      -0.1663      0.00000
    115      -0.0187      0.00000
    116       0.0028      0.00000
    117       0.2436      0.00000
    118       0.3242      0.00000
    119       0.7707      0.00000
    120       0.8574      0.00000
    121       0.9376      0.00000
    122       1.0590      0.00000
    123       1.2838      0.00000
    124       1.5192      0.00000
    125       1.5916      0.00000
    126       1.6786      0.00000
    127       1.9598      0.00000
    128       2.0191      0.00000
    129       2.0651      0.00000
    130       2.1185      0.00000
    131       2.3018      0.00000
    132       2.3710      0.00000
    133       2.4820      0.00000
    134       2.5807      0.00000
    135       2.6720      0.00000
    136       2.7624      0.00000
    137       2.9341      0.00000
    138       2.9883      0.00000
    139       3.0388      0.00000
    140       3.0530      0.00000
    141       3.1478      0.00000
    142       3.1654      0.00000
    143       3.1827      0.00000
    144       3.2203      0.00000
    145       3.3322      0.00000
    146       3.3928      0.00000
    147       3.4501      0.00000
    148       3.4694      0.00000
    149       3.4969      0.00000
    150       3.5375      0.00000
    151       3.5710      0.00000
    152       3.6001      0.00000
    153       3.6323      0.00000
    154       3.6960      0.00000
    155       3.7875      0.00000
    156       3.8958      0.00000
    157       3.9483      0.00000
    158       4.0444      0.00000
    159       4.1893      0.00000
    160       4.2030      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9679      1.00000
      2     -21.6158      1.00000
      3     -21.5543      1.00000
      4     -21.0451      1.00000
      5     -21.0033      1.00000
      6     -20.4961      1.00000
      7     -20.4368      1.00000
      8     -20.2824      1.00000
      9     -19.7557      1.00000
     10     -19.7148      1.00000
     11     -19.3844      1.00000
     12     -19.3476      1.00000
     13     -18.6782      1.00000
     14     -18.6343      1.00000
     15     -18.3208      1.00000
     16     -18.2748      1.00000
     17     -18.1232      1.00000
     18     -17.3420      1.00000
     19     -17.2980      1.00000
     20     -17.2716      1.00000
     21     -17.2453      1.00000
     22     -16.8127      1.00000
     23     -16.7567      1.00000
     24     -16.6401      1.00000
     25     -15.6876      1.00000
     26     -15.5773      1.00000
     27     -15.2729      1.00000
     28     -15.2336      1.00000
     29     -14.9402      1.00000
     30     -14.5594      1.00000
     31     -14.4916      1.00000
     32     -14.2464      1.00000
     33     -14.2046      1.00000
     34     -13.8355      1.00000
     35     -13.8242      1.00000
     36     -12.8644      1.00000
     37     -12.7583      1.00000
     38     -12.6972      1.00000
     39     -12.6830      1.00000
     40     -12.4083      1.00000
     41     -12.3599      1.00000
     42     -12.0067      1.00000
     43     -11.9837      1.00000
     44     -11.3773      1.00000
     45     -11.2920      1.00000
     46     -11.2327      1.00000
     47     -11.1819      1.00000
     48     -10.6044      1.00000
     49     -10.5892      1.00000
     50     -10.3389      1.00000
     51     -10.2645      1.00000
     52     -10.2119      1.00000
     53     -10.1680      1.00000
     54     -10.1268      1.00000
     55     -10.0732      1.00000
     56     -10.0214      1.00000
     57      -9.7119      1.00000
     58      -9.5763      1.00000
     59      -9.2883      1.00000
     60      -9.2228      1.00000
     61      -9.1289      1.00000
     62      -9.0968      1.00000
     63      -9.0740      1.00000
     64      -9.0434      1.00000
     65      -9.0055      1.00000
     66      -8.9528      1.00000
     67      -8.8416      1.00000
     68      -8.7990      1.00000
     69      -8.7799      1.00000
     70      -8.5416      1.00000
     71      -8.5314      1.00000
     72      -8.4105      1.00000
     73      -8.2692      1.00000
     74      -8.1539      1.00000
     75      -7.8745      1.00000
     76      -7.8461      1.00000
     77      -7.6326      1.00000
     78      -7.5398      1.00000
     79      -7.5022      1.00000
     80      -7.4520      1.00000
     81      -7.3945      1.00000
     82      -7.3591      1.00000
     83      -7.1618      1.00000
     84      -7.0490      1.00000
     85      -6.6255      1.00000
     86      -6.5849      1.00000
     87      -6.4935      1.00000
     88      -6.3056      1.00000
     89      -6.0967      1.00000
     90      -6.0426      1.00000
     91      -5.9809      1.00000
     92      -5.8748      1.00000
     93      -5.7948      1.00000
     94      -5.4797      1.00000
     95      -5.2687      1.00000
     96      -5.0622      1.00000
     97      -4.9032      1.00000
     98      -4.7694      1.00000
     99      -4.5148      1.00000
    100      -4.4346      1.00000
    101      -4.1725      1.00000
    102      -4.0038      1.00000
    103      -3.8616      1.00000
    104      -3.5943      1.00000
    105      -3.5193      1.00000
    106      -3.1675      1.00000
    107      -1.9268      0.00000
    108      -1.6937      0.00000
    109      -0.9861      0.00000
    110      -0.8963      0.00000
    111      -0.8727      0.00000
    112      -0.6333      0.00000
    113      -0.5811      0.00000
    114      -0.4924      0.00000
    115      -0.4666      0.00000
    116       0.3752      0.00000
    117       0.5311      0.00000
    118       0.5764      0.00000
    119       0.8137      0.00000
    120       1.0923      0.00000
    121       1.0992      0.00000
    122       1.2249      0.00000
    123       1.3549      0.00000
    124       1.4702      0.00000
    125       1.6010      0.00000
    126       1.7416      0.00000
    127       1.8331      0.00000
    128       1.9960      0.00000
    129       2.0699      0.00000
    130       2.0946      0.00000
    131       2.1582      0.00000
    132       2.3426      0.00000
    133       2.3514      0.00000
    134       2.4559      0.00000
    135       2.5087      0.00000
    136       2.7551      0.00000
    137       2.8047      0.00000
    138       2.8428      0.00000
    139       2.8768      0.00000
    140       2.9153      0.00000
    141       3.0352      0.00000
    142       3.0459      0.00000
    143       3.1253      0.00000
    144       3.1684      0.00000
    145       3.2656      0.00000
    146       3.3129      0.00000
    147       3.3825      0.00000
    148       3.4833      0.00000
    149       3.5743      0.00000
    150       3.6101      0.00000
    151       3.6809      0.00000
    152       3.6961      0.00000
    153       3.8006      0.00000
    154       3.9012      0.00000
    155       3.9296      0.00000
    156       3.9832      0.00000
    157       4.0002      0.00000
    158       4.1049      0.00000
    159       4.1346      0.00000
    160       4.1634      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0413      1.00000
      2     -21.4837      1.00000
      3     -21.2959      1.00000
      4     -21.2687      1.00000
      5     -20.9307      1.00000
      6     -20.8957      1.00000
      7     -20.7172      1.00000
      8     -19.8270      1.00000
      9     -19.7898      1.00000
     10     -19.2804      1.00000
     11     -19.2515      1.00000
     12     -19.0755      1.00000
     13     -18.7656      1.00000
     14     -18.7238      1.00000
     15     -18.7053      1.00000
     16     -18.6947      1.00000
     17     -18.0332      1.00000
     18     -18.0112      1.00000
     19     -17.6781      1.00000
     20     -16.7368      1.00000
     21     -16.6905      1.00000
     22     -16.6230      1.00000
     23     -16.6054      1.00000
     24     -16.1592      1.00000
     25     -16.1275      1.00000
     26     -15.2781      1.00000
     27     -15.2605      1.00000
     28     -14.9057      1.00000
     29     -14.8966      1.00000
     30     -14.8734      1.00000
     31     -14.7791      1.00000
     32     -14.7329      1.00000
     33     -14.3727      1.00000
     34     -14.3547      1.00000
     35     -13.4073      1.00000
     36     -13.3825      1.00000
     37     -12.9130      1.00000
     38     -12.3491      1.00000
     39     -12.2469      1.00000
     40     -12.1265      1.00000
     41     -12.1130      1.00000
     42     -11.7796      1.00000
     43     -11.7632      1.00000
     44     -11.3899      1.00000
     45     -11.3616      1.00000
     46     -11.2632      1.00000
     47     -10.9015      1.00000
     48     -10.8937      1.00000
     49     -10.6756      1.00000
     50     -10.6730      1.00000
     51     -10.5970      1.00000
     52     -10.5561      1.00000
     53     -10.1990      1.00000
     54      -9.8741      1.00000
     55      -9.8200      1.00000
     56      -9.7594      1.00000
     57      -9.5678      1.00000
     58      -9.3673      1.00000
     59      -9.3561      1.00000
     60      -9.3246      1.00000
     61      -9.2979      1.00000
     62      -9.2353      1.00000
     63      -9.1976      1.00000
     64      -8.9934      1.00000
     65      -8.9692      1.00000
     66      -8.9191      1.00000
     67      -8.9070      1.00000
     68      -8.7998      1.00000
     69      -8.7883      1.00000
     70      -8.7776      1.00000
     71      -8.6113      1.00000
     72      -8.5431      1.00000
     73      -8.2705      1.00000
     74      -8.2646      1.00000
     75      -7.8170      1.00000
     76      -7.7243      1.00000
     77      -7.5741      1.00000
     78      -7.4996      1.00000
     79      -7.4598      1.00000
     80      -7.4187      1.00000
     81      -7.1393      1.00000
     82      -6.9893      1.00000
     83      -6.9696      1.00000
     84      -6.9383      1.00000
     85      -6.8813      1.00000
     86      -6.6796      1.00000
     87      -6.5604      1.00000
     88      -6.4392      1.00000
     89      -6.3906      1.00000
     90      -6.3065      1.00000
     91      -5.8641      1.00000
     92      -5.7915      1.00000
     93      -5.7685      1.00000
     94      -5.6540      1.00000
     95      -5.5950      1.00000
     96      -5.0432      1.00000
     97      -4.6195      1.00000
     98      -4.5246      1.00000
     99      -4.3632      1.00000
    100      -4.2383      1.00000
    101      -4.1828      1.00000
    102      -3.8308      1.00000
    103      -3.8014      1.00000
    104      -3.7298      1.00000
    105      -3.4506      1.00000
    106      -3.4213      1.00000
    107      -1.8099      0.00000
    108      -1.4342      0.00000
    109      -1.3859      0.00000
    110      -1.0262      0.00000
    111      -1.0020      0.00000
    112      -0.9771      0.00000
    113      -0.8564      0.00000
    114      -0.2675      0.00000
    115       0.0435      0.00000
    116       0.0724      0.00000
    117       0.7436      0.00000
    118       0.9098      0.00000
    119       0.9326      0.00000
    120       1.2034      0.00000
    121       1.2655      0.00000
    122       1.3563      0.00000
    123       1.4315      0.00000
    124       1.4728      0.00000
    125       1.5469      0.00000
    126       1.6832      0.00000
    127       1.7591      0.00000
    128       1.9624      0.00000
    129       1.9808      0.00000
    130       2.1668      0.00000
    131       2.2000      0.00000
    132       2.2311      0.00000
    133       2.3339      0.00000
    134       2.3868      0.00000
    135       2.4239      0.00000
    136       2.5337      0.00000
    137       2.7032      0.00000
    138       2.7348      0.00000
    139       2.7842      0.00000
    140       2.8187      0.00000
    141       2.8736      0.00000
    142       3.0444      0.00000
    143       3.1291      0.00000
    144       3.1509      0.00000
    145       3.1681      0.00000
    146       3.2127      0.00000
    147       3.2265      0.00000
    148       3.4195      0.00000
    149       3.4238      0.00000
    150       3.4865      0.00000
    151       3.6007      0.00000
    152       3.6037      0.00000
    153       3.7875      0.00000
    154       3.8578      0.00000
    155       3.9234      0.00000
    156       4.0043      0.00000
    157       4.1316      0.00000
    158       4.1608      0.00000
    159       4.2073      0.00000
    160       4.3151      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8488      1.00000
      2     -21.7855      1.00000
      3     -21.6151      1.00000
      4     -21.0629      1.00000
      5     -20.7012      1.00000
      6     -20.6785      1.00000
      7     -20.1528      1.00000
      8     -20.1270      1.00000
      9     -19.9469      1.00000
     10     -19.9466      1.00000
     11     -19.6077      1.00000
     12     -19.5625      1.00000
     13     -18.5432      1.00000
     14     -18.4861      1.00000
     15     -17.9955      1.00000
     16     -17.9816      1.00000
     17     -17.8143      1.00000
     18     -17.8083      1.00000
     19     -17.4767      1.00000
     20     -17.4633      1.00000
     21     -16.9352      1.00000
     22     -16.9074      1.00000
     23     -16.8216      1.00000
     24     -16.8024      1.00000
     25     -15.7937      1.00000
     26     -15.5330      1.00000
     27     -15.5307      1.00000
     28     -15.5154      1.00000
     29     -14.8920      1.00000
     30     -14.2217      1.00000
     31     -14.2013      1.00000
     32     -13.9374      1.00000
     33     -13.6702      1.00000
     34     -13.6280      1.00000
     35     -13.4965      1.00000
     36     -13.4812      1.00000
     37     -13.2710      1.00000
     38     -13.2443      1.00000
     39     -13.0312      1.00000
     40     -12.3171      1.00000
     41     -11.8397      1.00000
     42     -11.8272      1.00000
     43     -11.7215      1.00000
     44     -11.6867      1.00000
     45     -11.4148      1.00000
     46     -11.3427      1.00000
     47     -11.1767      1.00000
     48     -10.8047      1.00000
     49     -10.7961      1.00000
     50     -10.4569      1.00000
     51     -10.4022      1.00000
     52     -10.0388      1.00000
     53      -9.8787      1.00000
     54      -9.8695      1.00000
     55      -9.8501      1.00000
     56      -9.7017      1.00000
     57      -9.6629      1.00000
     58      -9.6475      1.00000
     59      -9.4952      1.00000
     60      -9.4666      1.00000
     61      -9.4441      1.00000
     62      -9.4322      1.00000
     63      -9.1282      1.00000
     64      -9.0328      1.00000
     65      -8.7666      1.00000
     66      -8.7301      1.00000
     67      -8.6719      1.00000
     68      -8.6306      1.00000
     69      -8.5350      1.00000
     70      -8.3811      1.00000
     71      -8.3727      1.00000
     72      -8.2408      1.00000
     73      -8.2207      1.00000
     74      -8.1336      1.00000
     75      -8.1329      1.00000
     76      -8.0098      1.00000
     77      -7.9739      1.00000
     78      -7.7667      1.00000
     79      -7.7289      1.00000
     80      -7.6248      1.00000
     81      -7.3741      1.00000
     82      -7.2939      1.00000
     83      -7.1849      1.00000
     84      -6.7396      1.00000
     85      -6.6315      1.00000
     86      -6.5623      1.00000
     87      -6.3092      1.00000
     88      -6.2280      1.00000
     89      -6.1649      1.00000
     90      -6.1358      1.00000
     91      -6.0560      1.00000
     92      -5.6743      1.00000
     93      -5.4875      1.00000
     94      -5.4519      1.00000
     95      -5.2987      1.00000
     96      -5.0922      1.00000
     97      -4.9185      1.00000
     98      -4.9101      1.00000
     99      -4.8767      1.00000
    100      -4.4589      1.00000
    101      -4.1487      1.00000
    102      -4.0206      1.00000
    103      -3.9532      1.00000
    104      -3.5832      1.00000
    105      -3.5311      1.00000
    106      -2.9593      1.00000
    107      -2.1042      0.00000
    108      -1.7288      0.00000
    109      -0.8658      0.00000
    110      -0.8640      0.00000
    111      -0.8568      0.00000
    112      -0.8326      0.00000
    113      -0.1870      0.00000
    114      -0.1729      0.00000
    115      -0.0389      0.00000
    116      -0.0163      0.00000
    117       0.2947      0.00000
    118       0.3030      0.00000
    119       0.7497      0.00000
    120       0.8494      0.00000
    121       0.9908      0.00000
    122       1.0308      0.00000
    123       1.2453      0.00000
    124       1.5749      0.00000
    125       1.5780      0.00000
    126       1.6567      0.00000
    127       1.9651      0.00000
    128       2.0252      0.00000
    129       2.0685      0.00000
    130       2.1236      0.00000
    131       2.2993      0.00000
    132       2.3706      0.00000
    133       2.5396      0.00000
    134       2.5553      0.00000
    135       2.6554      0.00000
    136       2.8291      0.00000
    137       2.9319      0.00000
    138       2.9595      0.00000
    139       3.0277      0.00000
    140       3.0530      0.00000
    141       3.1178      0.00000
    142       3.1627      0.00000
    143       3.1967      0.00000
    144       3.2150      0.00000
    145       3.3348      0.00000
    146       3.3889      0.00000
    147       3.4350      0.00000
    148       3.4714      0.00000
    149       3.5048      0.00000
    150       3.5385      0.00000
    151       3.5602      0.00000
    152       3.5759      0.00000
    153       3.6292      0.00000
    154       3.6823      0.00000
    155       3.8045      0.00000
    156       3.9166      0.00000
    157       3.9485      0.00000
    158       4.0441      0.00000
    159       4.1796      0.00000
    160       4.1993      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9319      1.00000
      2     -21.7365      1.00000
      3     -21.3731      1.00000
      4     -21.3435      1.00000
      5     -20.6361      1.00000
      6     -20.5989      1.00000
      7     -20.2659      1.00000
      8     -20.2381      1.00000
      9     -20.2296      1.00000
     10     -19.6937      1.00000
     11     -19.1730      1.00000
     12     -19.1433      1.00000
     13     -18.9770      1.00000
     14     -18.9619      1.00000
     15     -18.1074      1.00000
     16     -18.0721      1.00000
     17     -17.5983      1.00000
     18     -17.5735      1.00000
     19     -17.4235      1.00000
     20     -17.3863      1.00000
     21     -17.1122      1.00000
     22     -17.0897      1.00000
     23     -17.0003      1.00000
     24     -16.1580      1.00000
     25     -16.1229      1.00000
     26     -15.6394      1.00000
     27     -15.0814      1.00000
     28     -15.0634      1.00000
     29     -14.7705      1.00000
     30     -14.7490      1.00000
     31     -14.5118      1.00000
     32     -14.5039      1.00000
     33     -13.9894      1.00000
     34     -13.9198      1.00000
     35     -13.1480      1.00000
     36     -13.0668      1.00000
     37     -12.8562      1.00000
     38     -12.8327      1.00000
     39     -12.6602      1.00000
     40     -12.6382      1.00000
     41     -12.2909      1.00000
     42     -12.2693      1.00000
     43     -11.8825      1.00000
     44     -11.2739      1.00000
     45     -11.2487      1.00000
     46     -11.1800      1.00000
     47     -10.9814      1.00000
     48     -10.9393      1.00000
     49     -10.8089      1.00000
     50     -10.3771      1.00000
     51     -10.3342      1.00000
     52     -10.0934      1.00000
     53      -9.9839      1.00000
     54      -9.9835      1.00000
     55      -9.8550      1.00000
     56      -9.7951      1.00000
     57      -9.7641      1.00000
     58      -9.4798      1.00000
     59      -9.4203      1.00000
     60      -9.3895      1.00000
     61      -9.3745      1.00000
     62      -9.3668      1.00000
     63      -9.3192      1.00000
     64      -9.0349      1.00000
     65      -9.0201      1.00000
     66      -8.9888      1.00000
     67      -8.6540      1.00000
     68      -8.6335      1.00000
     69      -8.5807      1.00000
     70      -8.4572      1.00000
     71      -8.2621      1.00000
     72      -8.1963      1.00000
     73      -8.0964      1.00000
     74      -8.0582      1.00000
     75      -7.9729      1.00000
     76      -7.9666      1.00000
     77      -7.9301      1.00000
     78      -7.9134      1.00000
     79      -7.9012      1.00000
     80      -7.4892      1.00000
     81      -7.2153      1.00000
     82      -7.0226      1.00000
     83      -6.9409      1.00000
     84      -6.8760      1.00000
     85      -6.8227      1.00000
     86      -6.6730      1.00000
     87      -6.6337      1.00000
     88      -6.2870      1.00000
     89      -6.2622      1.00000
     90      -6.1392      1.00000
     91      -5.9473      1.00000
     92      -5.6318      1.00000
     93      -5.5170      1.00000
     94      -5.3923      1.00000
     95      -5.3187      1.00000
     96      -5.0070      1.00000
     97      -4.9732      1.00000
     98      -4.9067      1.00000
     99      -4.8795      1.00000
    100      -4.2442      1.00000
    101      -4.1663      1.00000
    102      -3.9680      1.00000
    103      -3.7917      1.00000
    104      -3.6105      1.00000
    105      -3.5024      1.00000
    106      -3.3589      1.00000
    107      -1.7452      0.00000
    108      -1.5208      0.00000
    109      -1.4825      0.00000
    110      -0.7657      0.00000
    111      -0.7144      0.00000
    112      -0.6993      0.00000
    113      -0.3508      0.00000
    114      -0.3427      0.00000
    115      -0.2930      0.00000
    116      -0.2790      0.00000
    117       0.4671      0.00000
    118       0.5392      0.00000
    119       0.8229      0.00000
    120       1.0685      0.00000
    121       1.1250      0.00000
    122       1.3356      0.00000
    123       1.5356      0.00000
    124       1.5455      0.00000
    125       1.6290      0.00000
    126       1.7268      0.00000
    127       1.8641      0.00000
    128       1.9041      0.00000
    129       1.9438      0.00000
    130       2.0317      0.00000
    131       2.1438      0.00000
    132       2.2700      0.00000
    133       2.3542      0.00000
    134       2.5025      0.00000
    135       2.6205      0.00000
    136       2.6582      0.00000
    137       2.6855      0.00000
    138       2.7620      0.00000
    139       2.8991      0.00000
    140       2.9406      0.00000
    141       3.0330      0.00000
    142       3.1986      0.00000
    143       3.2267      0.00000
    144       3.2561      0.00000
    145       3.3667      0.00000
    146       3.4018      0.00000
    147       3.4720      0.00000
    148       3.5693      0.00000
    149       3.6363      0.00000
    150       3.6393      0.00000
    151       3.6614      0.00000
    152       3.7016      0.00000
    153       3.8258      0.00000
    154       3.8680      0.00000
    155       3.9199      0.00000
    156       3.9201      0.00000
    157       4.0009      0.00000
    158       4.0404      0.00000
    159       4.0855      0.00000
    160       4.0889      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8846   -7.1173    4.1309   -1.3433   -0.2920   17.9352   -0.2869   -0.0279    0.1585   -0.1178
x    -3.2528   -0.0116   -0.0003   -0.0469    0.1023   -3.0479    0.0186   -0.0218    0.0097    0.0027
x    -0.0998    0.0019   -0.0004   -0.0003    0.0005   -0.0235   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8846    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0008    0.0009    0.0036   -0.0997   -0.0413    0.0831    0.0208
y     0.0043   -3.2706   -0.0624    0.2294   -2.4089   -0.6401
z   203.8846    1.5136    0.2848    0.1083    0.0444    0.0804   -0.0027   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0855    0.0044   -0.0014    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4361
z    -0.4221    0.1515    0.0488    0.1382   -0.0842    0.0003
 total charge-density along one line
x   212.0000  -10.0912    6.1820   -2.2003   -0.5435   19.9242   -1.5348    1.0932   -0.6231    0.2971
x    -2.8497    0.0060    0.0200   -0.0537    0.0874   -2.3195    0.0254   -0.0279    0.0131    0.0038
x    -0.0939    0.0073   -0.0047    0.0022   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
x    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
x    -0.0004    0.0000    0.0000    0.0000    0.0001   -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  -10.0912    6.1820   -2.2003   -0.5435   19.9242   -1.5348    1.0932   -0.6231    0.2971
y    -2.8497    0.0060    0.0200   -0.0537    0.0874   -2.3195    0.0254   -0.0279    0.0131    0.0038
y    -0.0939    0.0073   -0.0047    0.0022   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
y    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
y    -0.0004    0.0000    0.0000    0.0000    0.0001   -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 -205.1426  189.0879 -171.5143  155.1498 -138.8718  122.8275 -108.2127   94.3345  -79.5343
z    64.1512  -50.3234   39.4019  -31.0593   24.4954  -19.2603   15.0123  -11.4031    8.3545   -5.9882
z     4.2467   -2.8860    1.7964   -1.0375    0.5724   -0.2216   -0.1031    0.3225   -0.3876    0.3903
z    -0.4241    0.4626   -0.4406    0.3700   -0.3093    0.2760   -0.2458    0.2078   -0.1728    0.1453
z    -0.1196    0.0960   -0.0793    0.0673   -0.0547    0.0432   -0.0367    0.0330   -0.0276    0.0212
z    -0.0175    0.0162   -0.0142    0.0109   -0.0081    0.0069   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.736   0.000  -0.013   0.000   0.000   0.169   0.000   0.002
  0.000 -10.926   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.049   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.974   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.735   0.000   0.000  -0.001
  0.169   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.169   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.736   0.000  -0.013   0.000   0.000   0.169   0.000   0.002
  0.000 -10.926   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.049   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.974   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.735   0.000   0.000  -0.001
  0.169   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.169   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.040   0.000  -0.002   0.091   0.000  -0.024   0.000  -0.007   0.065  -0.013   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.091   0.000   0.000   0.237   0.000  -0.070   0.000   0.000   0.000   0.016   0.000   0.019   0.023
  0.040   0.000   1.720   0.000  -0.020  -0.013   0.000   0.404   0.000   0.006  -0.312   0.025   0.000  -0.024   0.000   0.000
  0.000   0.091   0.000   1.776   0.000   0.000  -0.070   0.000   0.314   0.000   0.000   0.000   0.019   0.000  -0.003  -0.001
 -0.002   0.000  -0.020   0.000   1.950  -0.007   0.000   0.012   0.000   0.081  -0.057   0.006   0.000  -0.007   0.000   0.000
  0.091   0.000  -0.013   0.000  -0.007   0.031   0.000  -0.038   0.000   0.005  -0.065   0.027   0.000   0.026   0.000   0.000
  0.000   0.237   0.000  -0.070   0.000   0.000   0.147   0.000  -0.076   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.404   0.000   0.012  -0.038   0.000   0.672   0.000   0.022   0.517  -0.354   0.000  -0.102   0.000   0.000
  0.000  -0.070   0.000   0.314   0.000   0.000  -0.076   0.000   0.236   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.007   0.000   0.006   0.000   0.081   0.005   0.000   0.022   0.000   0.037   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.065   0.000  -0.312   0.000  -0.057  -0.065   0.000   0.517   0.000   0.043   0.872  -0.390   0.000  -0.153   0.000   0.000
 -0.013   0.000   0.025   0.000   0.006   0.027   0.000  -0.354   0.000  -0.016  -0.390   0.272   0.000   0.080   0.000   0.000
  0.000   0.016   0.000   0.019   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.024   0.000  -0.007   0.026   0.000  -0.102   0.000  -0.015  -0.153   0.080   0.000   0.171   0.000   0.000
  0.000   0.019   0.000  -0.003   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.029   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.025   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.428   0.164   8.206   8.797
  2        0.629   0.031   0.000   0.660
  3        0.545   0.027   0.000   0.572
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.644
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.782   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.786   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.636
 17        0.850   1.758   0.000   2.608
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.647
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.772   0.000   2.636
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.786   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.782   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.644
------------------------------------------------
tot       44.743  89.254   8.206 142.202
 


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


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


    CHARGE:  VPU time   89.87: CPU time   45.28
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  363.26: CPU time  181.94
    STRESS:  VPU time 1092.13: CPU time  548.85
    FORCOR:  VPU time    7.42: CPU time    7.41
    FORHAR:  VPU time    1.96: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force = 0.4039317E-04[-0.256E-04, 0.106E-03]  d Energy = 0.4666429E-04-0.627E-05
 d Force = 0.4281920E+00[ 0.428E+00, 0.428E+00]  d Ewald  = 0.2756483E+01-0.233E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.339164 eV

  energy  without entropy=     -470.339164  energy(sigma->0) =     -470.339164
 

  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    40605.57  40578.53 -47250.48    -23.42      0.00      0.00
  Hartree  40131.26  40118.66 -39360.46    -10.91      0.00      0.00
  E(xc)     -779.87   -779.98   -806.99     -0.09      0.00      0.00
  Local   -83025.19 -82989.44  83939.34     30.96      0.00      0.00
  n-local   -223.86   -221.85   -215.70      0.98      0.00      0.00
  augment     21.43     21.92     18.85      0.43      0.00      0.00
  Kinetic   3172.48   3181.72   3581.03     -0.12      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.40     -0.34     -0.49      0.05      0.00      0.00
  in kB       -0.24     -0.21     -0.30      0.03      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.352089456  0.001066900  0.000000000     0.080953927  0.046729517  0.000000000
    -6.175127410 10.697752621  0.000000000    -0.000008074  0.093472917  0.000000000
     0.000000000  0.000000000 19.963208178     0.000000000  0.000000000  0.050092149

  length of vectors
    12.352089502 12.352089284 19.963208178     0.093472916  0.093472917  0.050092149


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.700E-05 -.446E-04 -.104E+04   0.578E-05 -.294E-04 0.104E+04   -.122E-20 -.824E-21 0.320E+01   -.306E-07 0.159E-07 -.105E-01
   -.235E-06 -.792E-05 -.108E+03   -.713E-07 -.948E-06 0.104E+03   -.467E-22 0.132E-22 0.348E+01   0.319E-09 0.424E-09 0.374E-03
   -.143E-06 -.662E-05 -.114E+03   -.711E-07 -.597E-06 0.118E+03   -.185E-21 0.150E-28 -.460E+01   0.478E-09 -.701E-10 0.819E-03
   -.185E+01 0.107E+01 0.219E+02   0.185E+01 -.107E+01 -.219E+02   -.779E-02 0.450E-02 0.186E-01   -.224E-03 0.126E-03 0.364E-02
   0.565E+01 0.660E+01 0.248E+02   -.565E+01 -.662E+01 -.248E+02   -.577E-02 0.246E-01 -.233E-02   -.327E-02 0.590E-02 0.333E-02
   0.109E+02 0.543E+01 0.207E+02   -.109E+02 -.545E+01 -.207E+02   0.899E-02 0.145E-01 -.529E-01   0.823E-03 -.227E-02 0.703E-03
   0.434E+01 -.116E+01 0.189E+02   -.435E+01 0.118E+01 -.189E+02   0.190E-01 -.232E-01 0.284E-01   0.256E-02 -.326E-02 0.733E-03
   -.271E+01 -.255E+01 0.176E+02   0.272E+01 0.256E+01 -.176E+02   -.934E-02 -.139E-01 0.259E-01   0.394E-03 0.129E-02 0.322E-02
   0.854E+00 0.362E+01 0.176E+02   -.860E+00 -.364E+01 -.176E+02   0.739E-02 0.150E-01 0.259E-01   -.926E-03 -.993E-03 0.321E-02
   0.302E+01 0.181E+02 0.285E+02   -.303E+01 -.181E+02 -.285E+02   0.729E-02 0.486E-01 0.346E-01   -.933E-03 -.653E-02 0.795E-03
   0.208E+02 0.234E+02 0.400E+02   -.209E+02 -.236E+02 -.399E+02   0.461E-01 0.195E+00 -.103E+00   0.346E-02 0.677E-02 -.385E-02
   0.269E+02 -.521E+01 0.255E+02   -.271E+02 0.531E+01 -.255E+02   0.200E+00 -.103E+00 0.576E-01   -.174E-02 0.371E-02 -.416E-02
   0.940E+01 -.543E+01 0.164E+02   -.939E+01 0.542E+01 -.165E+02   -.117E-01 0.675E-02 0.382E-01   -.462E-02 0.266E-02 0.345E-02
   0.317E+01 -.318E+01 0.189E+02   -.320E+01 0.318E+01 -.189E+02   0.296E-01 -.489E-02 0.284E-01   0.410E-02 -.590E-03 0.723E-03
   -.600E+01 0.130E+02 0.219E+02   0.599E+01 -.130E+02 -.220E+02   0.122E-01 0.483E-01 0.275E-01   0.431E-02 -.193E-02 -.191E-02
   -.125E+02 0.346E+02 0.384E+02   0.125E+02 -.351E+02 -.389E+02   0.134E-01 0.502E+00 0.524E+00   -.513E-02 0.210E-03 -.525E-02
   0.335E+02 -.193E+02 0.480E+02   -.347E+02 0.200E+02 -.506E+02   0.122E+01 -.705E+00 0.263E+01   -.261E-02 0.151E-02 0.458E-02
   0.180E+02 -.207E+02 0.255E+02   -.182E+02 0.208E+02 -.255E+02   0.189E+00 -.121E+00 0.576E-01   -.409E-02 -.358E-03 -.416E-02
   0.732E+00 -.121E+02 0.207E+02   -.722E+00 0.121E+02 -.207E+02   -.805E-02 -.150E-01 -.529E-01   0.238E-02 0.419E-03 0.697E-03
   -.389E+01 0.129E+01 0.160E+02   0.390E+01 -.130E+01 -.160E+02   -.944E-02 0.820E-02 -.401E-01   0.147E-02 0.389E-02 0.274E-02
   -.177E+02 0.102E+02 0.191E+02   0.177E+02 -.102E+02 -.190E+02   -.390E-01 0.225E-01 -.148E+00   -.328E-02 0.190E-02 0.124E-02
   -.362E+02 -.650E+01 0.384E+02   0.366E+02 0.677E+01 -.389E+02   -.428E+00 -.263E+00 0.524E+00   -.274E-02 0.434E-02 -.524E-02
   -.986E+01 -.297E+02 0.400E+02   0.100E+02 0.299E+02 -.399E+02   -.146E+00 -.137E+00 -.103E+00   -.414E-02 -.638E-02 -.385E-02
   -.288E+01 -.819E+01 0.248E+02   0.290E+01 0.820E+01 -.248E+02   -.242E-01 -.733E-02 -.233E-02   -.674E-02 -.117E-03 0.333E-02
   0.102E+01 -.589E+00 0.179E+02   -.102E+01 0.587E+00 -.178E+02   -.415E-02 0.239E-02 -.295E-01   -.233E-02 0.134E-02 0.421E-02
   -.306E+01 0.272E+01 0.160E+02   0.307E+01 -.273E+01 -.160E+02   -.118E-01 0.408E-02 -.401E-01   -.263E-02 -.321E-02 0.275E-02
   -.143E+02 -.130E+01 0.219E+02   0.143E+02 0.134E+01 -.220E+02   -.357E-01 -.347E-01 0.275E-01   0.383E-02 -.277E-02 -.190E-02
   -.141E+02 -.117E+02 0.285E+02   0.142E+02 0.117E+02 -.285E+02   -.385E-01 -.306E-01 0.346E-01   0.519E-02 0.407E-02 0.799E-03
   0.288E+01 0.819E+01 0.248E+02   -.290E+01 -.820E+01 -.248E+02   0.242E-01 0.733E-02 -.233E-02   0.674E-02 0.117E-03 0.333E-02
   0.141E+02 0.117E+02 0.285E+02   -.142E+02 -.117E+02 -.285E+02   0.385E-01 0.306E-01 0.346E-01   -.519E-02 -.407E-02 0.799E-03
   0.143E+02 0.130E+01 0.219E+02   -.143E+02 -.134E+01 -.220E+02   0.357E-01 0.347E-01 0.275E-01   -.383E-02 0.277E-02 -.190E-02
   0.306E+01 -.272E+01 0.160E+02   -.307E+01 0.273E+01 -.160E+02   0.118E-01 -.408E-02 -.401E-01   0.263E-02 0.321E-02 0.275E-02
   -.102E+01 0.589E+00 0.179E+02   0.102E+01 -.587E+00 -.178E+02   0.415E-02 -.239E-02 -.295E-01   0.233E-02 -.134E-02 0.421E-02
   -.732E+00 0.121E+02 0.207E+02   0.722E+00 -.121E+02 -.207E+02   0.805E-02 0.150E-01 -.529E-01   -.238E-02 -.419E-03 0.697E-03
   0.986E+01 0.297E+02 0.400E+02   -.100E+02 -.299E+02 -.399E+02   0.146E+00 0.137E+00 -.103E+00   0.414E-02 0.638E-02 -.385E-02
   0.362E+02 0.650E+01 0.384E+02   -.366E+02 -.677E+01 -.389E+02   0.428E+00 0.263E+00 0.524E+00   0.274E-02 -.434E-02 -.524E-02
   0.177E+02 -.102E+02 0.191E+02   -.177E+02 0.102E+02 -.190E+02   0.390E-01 -.225E-01 -.148E+00   0.328E-02 -.190E-02 0.124E-02
   0.389E+01 -.129E+01 0.160E+02   -.390E+01 0.130E+01 -.160E+02   0.944E-02 -.820E-02 -.401E-01   -.147E-02 -.389E-02 0.274E-02
   -.317E+01 0.318E+01 0.189E+02   0.320E+01 -.318E+01 -.189E+02   -.296E-01 0.489E-02 0.284E-01   -.410E-02 0.590E-03 0.723E-03
   -.180E+02 0.207E+02 0.255E+02   0.182E+02 -.208E+02 -.255E+02   -.189E+00 0.121E+00 0.576E-01   0.409E-02 0.358E-03 -.416E-02
   -.335E+02 0.193E+02 0.480E+02   0.347E+02 -.200E+02 -.506E+02   -.122E+01 0.705E+00 0.263E+01   0.261E-02 -.151E-02 0.458E-02
   0.125E+02 -.346E+02 0.384E+02   -.125E+02 0.351E+02 -.389E+02   -.134E-01 -.502E+00 0.524E+00   0.513E-02 -.210E-03 -.525E-02
   0.600E+01 -.130E+02 0.219E+02   -.599E+01 0.130E+02 -.220E+02   -.122E-01 -.483E-01 0.275E-01   -.431E-02 0.193E-02 -.191E-02
   -.854E+00 -.362E+01 0.176E+02   0.860E+00 0.364E+01 -.176E+02   -.739E-02 -.150E-01 0.259E-01   0.926E-03 0.993E-03 0.321E-02
   -.940E+01 0.543E+01 0.164E+02   0.939E+01 -.542E+01 -.165E+02   0.117E-01 -.675E-02 0.382E-01   0.462E-02 -.266E-02 0.345E-02
   -.269E+02 0.521E+01 0.255E+02   0.271E+02 -.531E+01 -.255E+02   -.200E+00 0.103E+00 0.576E-01   0.174E-02 -.371E-02 -.416E-02
   -.208E+02 -.234E+02 0.400E+02   0.209E+02 0.236E+02 -.399E+02   -.461E-01 -.195E+00 -.103E+00   -.346E-02 -.677E-02 -.385E-02
   -.302E+01 -.181E+02 0.285E+02   0.303E+01 0.181E+02 -.285E+02   -.729E-02 -.486E-01 0.346E-01   0.933E-03 0.653E-02 0.795E-03
   0.185E+01 -.107E+01 0.219E+02   -.185E+01 0.107E+01 -.219E+02   0.779E-02 -.450E-02 0.186E-01   0.224E-03 -.126E-03 0.364E-02
   0.271E+01 0.255E+01 0.176E+02   -.272E+01 -.256E+01 -.176E+02   0.934E-02 0.139E-01 0.259E-01   -.394E-03 -.129E-02 0.322E-02
   -.434E+01 0.116E+01 0.189E+02   0.435E+01 -.118E+01 -.189E+02   -.190E-01 0.232E-01 0.284E-01   -.256E-02 0.326E-02 0.733E-03
   -.109E+02 -.543E+01 0.207E+02   0.109E+02 0.545E+01 -.207E+02   -.899E-02 -.145E-01 -.529E-01   -.823E-03 0.227E-02 0.703E-03
   -.565E+01 -.660E+01 0.248E+02   0.565E+01 0.662E+01 -.248E+02   0.577E-02 -.246E-01 -.233E-02   0.327E-02 -.590E-02 0.333E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.294E-03 -.912E+01   -.129E-12 -.497E-13 0.483E-12   -.311E-15 0.902E-16 0.910E+01   -.712E-07 0.494E-07 0.104E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85333      6.06252     12.23095         0.000000      0.000000     -0.005692
      1.85333      6.06252     14.01160         0.000000      0.000000     -0.008776
      1.85333      6.06252     14.78158         0.000000      0.000000     -0.010838
      0.00073     -0.00042      9.91641        -0.006518      0.003763     -0.003652
     11.11647      2.13943      9.91998        -0.007911      0.010474     -0.003421
      9.87968      4.27979      9.94472         0.005794     -0.001641     -0.000331
      8.64585      6.41982      9.94461         0.006476     -0.006745     -0.000385
     -4.93794      8.55830      9.93523         0.001020     -0.000353     -0.003081
     -3.70372     10.69604      9.93523         0.000816     -0.000707     -0.003081
      1.23540      2.13748      9.94328        -0.005895     -0.009026     -0.000699
     -0.00509      4.27706      9.99730         0.001363      0.008812      0.007492
     -1.24117      6.41695     10.00664        -0.004873      0.007879      0.005801
     -2.46763      8.55723      9.95932        -0.007286      0.004206     -0.005374
      4.94017      0.00138      9.94461         0.009079     -0.002236     -0.000385
      3.70628      2.13537      9.95868         0.006359     -0.005095      0.003094
      2.47322      4.25684     10.07653        -0.012735      0.001206      0.007897
      1.22019      6.42807     10.22445        -0.007936      0.004582     -0.000682
     -0.00086      8.56523     10.00664        -0.009260      0.000281      0.005801
      7.41041      0.00288      9.94472         0.004319     -0.004198     -0.000331
      6.17562      2.14014      9.94623         0.002416      0.004845     -0.002831
      4.94307      4.27866      9.99666        -0.009875      0.005701     -0.000363
      3.72704      6.42852     10.07653        -0.007412      0.010426      0.007897
      2.47037      8.56470      9.99730        -0.006950     -0.005586      0.007492
      9.88240      0.00196      9.91998        -0.013026      0.001614     -0.003421
      8.64567      2.14097      9.92726        -0.002883      0.001664     -0.004348
      7.41136      4.28051      9.94623        -0.002988     -0.004514     -0.002831
      6.18082      6.42140      9.95868         0.007591     -0.002959      0.003094
      4.94355      8.56019      9.94328         0.004870      0.009618     -0.000699
     -0.00061      1.42533      9.91998         0.013026     -0.001614     -0.003421
     -1.23688      3.56485      9.94328        -0.004870     -0.009618     -0.000699
     -2.47415      5.70365      9.95868        -0.007591      0.002959      0.003094
     -3.70470      7.84454      9.94623         0.002988      0.004514     -0.002831
     -4.93900      9.98408      9.92726         0.002883     -0.001664     -0.004348
      2.47139      1.42442      9.94472        -0.004319      0.004198     -0.000331
      1.23630      3.56035      9.99730         0.006950      0.005586      0.007492
     -0.02037      5.69652     10.07653         0.007412     -0.010426      0.007897
     -1.23640      7.84638      9.99666         0.009875     -0.005701     -0.000363
     -2.46895      9.98491      9.94623        -0.002416     -0.004845     -0.002831
      4.94162      1.42591      9.94461        -0.009079      0.002236     -0.000385
      3.70753      3.55982     10.00664         0.009260     -0.000281      0.005801
      2.48647      5.69698     10.22445         0.007936     -0.004582     -0.000682
      1.23344      7.86820     10.07653         0.012735     -0.001206      0.007897
      0.00038      9.98967      9.95868        -0.006359      0.005095      0.003094
      7.41038      1.42900      9.93523        -0.000816      0.000707     -0.003081
      6.17430      3.56782      9.95932         0.007286     -0.004206     -0.005374
      4.94784      5.70810     10.00664         0.004873     -0.007879      0.005801
      3.71176      7.84798      9.99730        -0.001363     -0.008812      0.007492
      2.47127      9.98756      9.94328         0.005895      0.009026     -0.000699
      9.88107      1.42771      9.91641         0.006518     -0.003763     -0.003652
      8.64461      3.56674      9.93523        -0.001020      0.000353     -0.003081
      7.41290      5.70630      9.94461        -0.006476      0.006745     -0.000385
      6.17908      7.84633      9.94472        -0.005794      0.001641     -0.000331
      4.94229      9.98668      9.91998         0.007911     -0.010474     -0.003421
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000294     -0.018652


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000047  1 .order   -0.000044   -0.000109    0.000021
  (g-gl).g = 0.115E-03      g.g   = 0.141E-03  gl.gl    = 0.127E-02
 g(Force)  = 0.128E-03   g(Stress)= 0.121E-04 ortho     = 0.167E-04
 gamma     =   0.09001
 trial     =   0.76942
 opt step  =   0.64319  (harmonic =   0.64319) maximal distance =0.00044841
 next E    =  -470.339163   (d E  =  -0.00005)


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


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.08: CPU time   75.10
     LOOP+:  VPU time 4496.28: CPU time 2294.30


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


    POTLOK:  VPU time    7.77: CPU time    7.76
    SETDIJ:  VPU time    0.28: CPU time    0.28
    EDDAV :  VPU time 1415.16: CPU time  722.01
 BZINTS: Fermi energy: -2.845841;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.75: CPU time   45.25
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1513.14: CPU time  775.45

 eigenvalue-minimisations  :  5760
 total energy-change (2. order) :-0.4703392E+03  (-0.3648516E-04)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1151358 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.43530E-03    rms(broyden)= 0.43503E-03
  rms(prec ) = 0.46056E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33934.08223508
  -1/2 Hartree   DENC   =    -40890.07205221
  -V(xc)+E(xc)   XCENC  =       726.67863501
  PAW double counting   =      4080.21422015    -4116.87191905
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.81013525
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33916268 eV

  energy without entropy =     -470.33916268  energy(sigma->0) =     -470.33916268


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




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


    POTLOK:  VPU time    7.76: CPU time    7.76
    SETDIJ:  VPU time    0.29: CPU time    0.28
    EDDAV :  VPU time 1296.87: CPU time  667.74
 BZINTS: Fermi energy: -2.845167;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1304.99: CPU time  675.82

 eigenvalue-minimisations  :  4264
 total energy-change (2. order) :-0.1507604E-05  (-0.1066229E-05)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     8.1151358 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33934.08223508
  -1/2 Hartree   DENC   =    -40890.06263460
  -V(xc)+E(xc)   XCENC  =       726.67845510
  PAW double counting   =      4080.21458732    -4116.87214458
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.81951611
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33916419 eV

  energy without entropy =     -470.33916419  energy(sigma->0) =     -470.33916419


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




 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 -57.8086       2 -41.9931       3 -42.1065       4 -57.9935       5 -57.9900
       6 -57.9915       7 -57.9912       8 -57.9919       9 -57.9918      10 -57.9977
      11 -58.0261      12 -58.0081      13 -58.0008      14 -57.9912      15 -57.9981
      16 -58.1530      17 -58.5625      18 -58.0081      19 -57.9915      20 -57.9934
      21 -58.0088      22 -58.1530      23 -58.0262      24 -57.9900      25 -57.9862
      26 -57.9934      27 -57.9981      28 -57.9977      29 -57.9899      30 -57.9976
      31 -57.9980      32 -57.9933      33 -57.9861      34 -57.9914      35 -58.0261
      36 -58.1530      37 -58.0087      38 -57.9933      39 -57.9911      40 -58.0080
      41 -58.5624      42 -58.1530      43 -57.9980      44 -57.9918      45 -58.0007
      46 -58.0080      47 -58.0261      48 -57.9976      49 -57.9934      50 -57.9918
      51 -57.9911      52 -57.9915      53 -57.9900
 
 
 
 E-fermi :  -2.8452     XC(G=0):  -2.3544     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     -22.0789      1.00000
      2     -21.2449      1.00000
      3     -21.1350      1.00000
      4     -21.1235      1.00000
      5     -21.1161      1.00000
      6     -21.0992      1.00000
      7     -21.0971      1.00000
      8     -19.3813      1.00000
      9     -19.3014      1.00000
     10     -19.2944      1.00000
     11     -19.2884      1.00000
     12     -19.2690      1.00000
     13     -19.2661      1.00000
     14     -18.4725      1.00000
     15     -18.4115      1.00000
     16     -18.4063      1.00000
     17     -18.3816      1.00000
     18     -18.3760      1.00000
     19     -18.3691      1.00000
     20     -16.3382      1.00000
     21     -16.2567      1.00000
     22     -16.2551      1.00000
     23     -16.2452      1.00000
     24     -16.2277      1.00000
     25     -16.2273      1.00000
     26     -15.3097      1.00000
     27     -15.2655      1.00000
     28     -15.2400      1.00000
     29     -15.2304      1.00000
     30     -15.2247      1.00000
     31     -15.2158      1.00000
     32     -13.9629      1.00000
     33     -13.9244      1.00000
     34     -13.9017      1.00000
     35     -13.8954      1.00000
     36     -13.8893      1.00000
     37     -13.8762      1.00000
     38     -11.7468      1.00000
     39     -11.5658      1.00000
     40     -11.5303      1.00000
     41     -11.5243      1.00000
     42     -11.5205      1.00000
     43     -11.5197      1.00000
     44     -11.4382      1.00000
     45     -11.4334      1.00000
     46     -11.4104      1.00000
     47     -11.3908      1.00000
     48     -11.3895      1.00000
     49     -11.3890      1.00000
     50     -11.1360      1.00000
     51     -10.2574      1.00000
     52     -10.0694      1.00000
     53     -10.0609      1.00000
     54     -10.0405      1.00000
     55     -10.0401      1.00000
     56     -10.0223      1.00000
     57      -9.9988      1.00000
     58      -9.4114      1.00000
     59      -9.1381      1.00000
     60      -9.0960      1.00000
     61      -9.0540      1.00000
     62      -9.0383      1.00000
     63      -9.0345      1.00000
     64      -8.8488      1.00000
     65      -8.7840      1.00000
     66      -8.7823      1.00000
     67      -8.7690      1.00000
     68      -8.7587      1.00000
     69      -8.7377      1.00000
     70      -8.7339      1.00000
     71      -8.7309      1.00000
     72      -8.7308      1.00000
     73      -8.7086      1.00000
     74      -8.6918      1.00000
     75      -8.6915      1.00000
     76      -7.3974      1.00000
     77      -7.2347      1.00000
     78      -7.1820      1.00000
     79      -7.1534      1.00000
     80      -7.1065      1.00000
     81      -7.1050      1.00000
     82      -7.0852      1.00000
     83      -7.0779      1.00000
     84      -6.9408      1.00000
     85      -6.9290      1.00000
     86      -6.9232      1.00000
     87      -6.9147      1.00000
     88      -6.3281      1.00000
     89      -6.2896      1.00000
     90      -6.0989      1.00000
     91      -6.0696      1.00000
     92      -6.0310      1.00000
     93      -6.0298      1.00000
     94      -5.6498      1.00000
     95      -5.6139      1.00000
     96      -4.9846      1.00000
     97      -4.6195      1.00000
     98      -4.2674      1.00000
     99      -4.2536      1.00000
    100      -4.0686      1.00000
    101      -4.0650      1.00000
    102      -4.0190      1.00000
    103      -3.8768      1.00000
    104      -3.5672      1.00000
    105      -3.4670      1.00000
    106      -3.4289      1.00000
    107      -1.8990      0.00000
    108      -1.2882      0.00000
    109      -1.2631      0.00000
    110      -1.2610      0.00000
    111      -1.2523      0.00000
    112      -1.2166      0.00000
    113      -1.0467      0.00000
    114       0.3637      0.00000
    115       0.4569      0.00000
    116       0.5331      0.00000
    117       0.5724      0.00000
    118       0.5864      0.00000
    119       0.5870      0.00000
    120       0.7610      0.00000
    121       1.2511      0.00000
    122       1.3228      0.00000
    123       1.3357      0.00000
    124       1.6508      0.00000
    125       1.9321      0.00000
    126       1.9362      0.00000
    127       1.9531      0.00000
    128       2.0196      0.00000
    129       2.1725      0.00000
    130       2.2903      0.00000
    131       2.2943      0.00000
    132       2.2954      0.00000
    133       2.2995      0.00000
    134       2.3050      0.00000
    135       2.3460      0.00000
    136       2.4107      0.00000
    137       2.5216      0.00000
    138       2.6709      0.00000
    139       2.6741      0.00000
    140       2.7228      0.00000
    141       2.7600      0.00000
    142       2.8366      0.00000
    143       2.8597      0.00000
    144       2.9916      0.00000
    145       2.9990      0.00000
    146       3.0079      0.00000
    147       3.0128      0.00000
    148       3.2755      0.00000
    149       3.4724      0.00000
    150       3.6004      0.00000
    151       3.7454      0.00000
    152       3.7595      0.00000
    153       3.9216      0.00000
    154       3.9280      0.00000
    155       3.9514      0.00000
    156       3.9850      0.00000
    157       4.1815      0.00000
    158       4.1842      0.00000
    159       4.3248      0.00000
    160       4.3274      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0419      1.00000
      2     -21.4825      1.00000
      3     -21.3003      1.00000
      4     -21.2676      1.00000
      5     -20.9314      1.00000
      6     -20.8939      1.00000
      7     -20.7197      1.00000
      8     -19.8288      1.00000
      9     -19.7890      1.00000
     10     -19.2793      1.00000
     11     -19.2491      1.00000
     12     -19.0819      1.00000
     13     -18.7585      1.00000
     14     -18.7217      1.00000
     15     -18.7106      1.00000
     16     -18.6983      1.00000
     17     -18.0331      1.00000
     18     -18.0083      1.00000
     19     -17.6863      1.00000
     20     -16.7474      1.00000
     21     -16.6922      1.00000
     22     -16.6191      1.00000
     23     -16.6033      1.00000
     24     -16.1441      1.00000
     25     -16.1228      1.00000
     26     -15.2938      1.00000
     27     -15.2649      1.00000
     28     -14.9401      1.00000
     29     -14.9009      1.00000
     30     -14.8432      1.00000
     31     -14.7636      1.00000
     32     -14.7352      1.00000
     33     -14.3747      1.00000
     34     -14.3573      1.00000
     35     -13.4119      1.00000
     36     -13.3870      1.00000
     37     -12.9088      1.00000
     38     -12.3074      1.00000
     39     -12.2522      1.00000
     40     -12.1271      1.00000
     41     -12.1083      1.00000
     42     -11.8259      1.00000
     43     -11.7747      1.00000
     44     -11.4406      1.00000
     45     -11.3495      1.00000
     46     -11.2035      1.00000
     47     -10.9022      1.00000
     48     -10.8899      1.00000
     49     -10.6870      1.00000
     50     -10.6727      1.00000
     51     -10.5939      1.00000
     52     -10.5690      1.00000
     53     -10.1911      1.00000
     54      -9.8286      1.00000
     55      -9.8185      1.00000
     56      -9.7729      1.00000
     57      -9.5759      1.00000
     58      -9.4004      1.00000
     59      -9.3718      1.00000
     60      -9.3098      1.00000
     61      -9.2834      1.00000
     62      -9.2484      1.00000
     63      -9.2035      1.00000
     64      -8.9853      1.00000
     65      -8.9752      1.00000
     66      -8.9264      1.00000
     67      -8.8823      1.00000
     68      -8.8177      1.00000
     69      -8.7828      1.00000
     70      -8.7733      1.00000
     71      -8.6103      1.00000
     72      -8.5448      1.00000
     73      -8.2963      1.00000
     74      -8.2687      1.00000
     75      -7.7837      1.00000
     76      -7.7208      1.00000
     77      -7.5662      1.00000
     78      -7.5348      1.00000
     79      -7.4331      1.00000
     80      -7.4303      1.00000
     81      -7.0728      1.00000
     82      -7.0473      1.00000
     83      -7.0210      1.00000
     84      -6.9828      1.00000
     85      -6.7930      1.00000
     86      -6.6960      1.00000
     87      -6.5524      1.00000
     88      -6.4654      1.00000
     89      -6.3662      1.00000
     90      -6.3050      1.00000
     91      -5.8406      1.00000
     92      -5.8124      1.00000
     93      -5.8015      1.00000
     94      -5.6898      1.00000
     95      -5.4783      1.00000
     96      -5.0483      1.00000
     97      -4.7417      1.00000
     98      -4.4589      1.00000
     99      -4.3727      1.00000
    100      -4.2099      1.00000
    101      -4.1660      1.00000
    102      -4.0191      1.00000
    103      -3.8285      1.00000
    104      -3.5245      1.00000
    105      -3.4557      1.00000
    106      -3.4038      1.00000
    107      -1.9186      0.00000
    108      -1.4344      0.00000
    109      -1.3134      0.00000
    110      -1.0119      0.00000
    111      -0.9750      0.00000
    112      -0.9582      0.00000
    113      -0.9110      0.00000
    114      -0.3119      0.00000
    115       0.0588      0.00000
    116       0.1046      0.00000
    117       0.7612      0.00000
    118       0.8733      0.00000
    119       1.0136      0.00000
    120       1.0801      0.00000
    121       1.2838      0.00000
    122       1.3689      0.00000
    123       1.4287      0.00000
    124       1.4949      0.00000
    125       1.5631      0.00000
    126       1.6742      0.00000
    127       1.7615      0.00000
    128       1.9657      0.00000
    129       1.9867      0.00000
    130       2.1193      0.00000
    131       2.2010      0.00000
    132       2.2598      0.00000
    133       2.3388      0.00000
    134       2.3759      0.00000
    135       2.4277      0.00000
    136       2.5306      0.00000
    137       2.7061      0.00000
    138       2.7366      0.00000
    139       2.7766      0.00000
    140       2.8338      0.00000
    141       2.8828      0.00000
    142       3.0560      0.00000
    143       3.1179      0.00000
    144       3.1293      0.00000
    145       3.1605      0.00000
    146       3.1853      0.00000
    147       3.2365      0.00000
    148       3.4240      0.00000
    149       3.4686      0.00000
    150       3.4952      0.00000
    151       3.5999      0.00000
    152       3.6049      0.00000
    153       3.7914      0.00000
    154       3.8561      0.00000
    155       3.9279      0.00000
    156       4.0311      0.00000
    157       4.1323      0.00000
    158       4.1439      0.00000
    159       4.2048      0.00000
    160       4.3021      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9335      1.00000
      2     -21.7347      1.00000
      3     -21.3768      1.00000
      4     -21.3421      1.00000
      5     -20.6381      1.00000
      6     -20.5977      1.00000
      7     -20.2752      1.00000
      8     -20.2352      1.00000
      9     -20.2257      1.00000
     10     -19.6947      1.00000
     11     -19.1755      1.00000
     12     -19.1421      1.00000
     13     -18.9760      1.00000
     14     -18.9571      1.00000
     15     -18.1161      1.00000
     16     -18.0724      1.00000
     17     -17.5999      1.00000
     18     -17.5702      1.00000
     19     -17.4282      1.00000
     20     -17.3881      1.00000
     21     -17.1112      1.00000
     22     -17.0884      1.00000
     23     -17.0108      1.00000
     24     -16.1395      1.00000
     25     -16.1193      1.00000
     26     -15.6249      1.00000
     27     -15.0944      1.00000
     28     -15.0674      1.00000
     29     -14.7764      1.00000
     30     -14.7526      1.00000
     31     -14.5433      1.00000
     32     -14.5104      1.00000
     33     -13.9605      1.00000
     34     -13.9234      1.00000
     35     -13.1177      1.00000
     36     -13.0713      1.00000
     37     -12.8679      1.00000
     38     -12.8385      1.00000
     39     -12.6451      1.00000
     40     -12.6304      1.00000
     41     -12.3091      1.00000
     42     -12.2765      1.00000
     43     -11.8794      1.00000
     44     -11.3709      1.00000
     45     -11.2061      1.00000
     46     -11.1538      1.00000
     47     -10.9596      1.00000
     48     -10.9500      1.00000
     49     -10.8107      1.00000
     50     -10.3495      1.00000
     51     -10.3341      1.00000
     52     -10.0948      1.00000
     53      -9.9893      1.00000
     54      -9.9841      1.00000
     55      -9.8425      1.00000
     56      -9.7870      1.00000
     57      -9.7812      1.00000
     58      -9.4630      1.00000
     59      -9.4454      1.00000
     60      -9.4000      1.00000
     61      -9.3702      1.00000
     62      -9.3538      1.00000
     63      -9.3231      1.00000
     64      -9.0332      1.00000
     65      -9.0208      1.00000
     66      -8.9871      1.00000
     67      -8.7024      1.00000
     68      -8.6343      1.00000
     69      -8.5449      1.00000
     70      -8.4767      1.00000
     71      -8.2738      1.00000
     72      -8.1899      1.00000
     73      -8.0705      1.00000
     74      -8.0558      1.00000
     75      -8.0114      1.00000
     76      -7.9580      1.00000
     77      -7.9333      1.00000
     78      -7.9270      1.00000
     79      -7.9044      1.00000
     80      -7.4691      1.00000
     81      -7.0717      1.00000
     82      -7.0290      1.00000
     83      -7.0185      1.00000
     84      -6.9194      1.00000
     85      -6.8964      1.00000
     86      -6.6630      1.00000
     87      -6.6547      1.00000
     88      -6.3049      1.00000
     89      -6.2423      1.00000
     90      -5.9753      1.00000
     91      -5.9096      1.00000
     92      -5.7344      1.00000
     93      -5.5212      1.00000
     94      -5.3943      1.00000
     95      -5.2322      1.00000
     96      -5.0655      1.00000
     97      -5.0026      1.00000
     98      -4.9020      1.00000
     99      -4.9006      1.00000
    100      -4.3191      1.00000
    101      -4.1612      1.00000
    102      -4.0612      1.00000
    103      -3.7723      1.00000
    104      -3.5600      1.00000
    105      -3.3579      1.00000
    106      -3.3476      1.00000
    107      -1.9427      0.00000
    108      -1.5318      0.00000
    109      -1.3409      0.00000
    110      -0.8297      0.00000
    111      -0.7067      0.00000
    112      -0.6619      0.00000
    113      -0.3477      0.00000
    114      -0.3133      0.00000
    115      -0.3028      0.00000
    116      -0.2828      0.00000
    117       0.4532      0.00000
    118       0.5390      0.00000
    119       0.8232      0.00000
    120       1.0792      0.00000
    121       1.1366      0.00000
    122       1.4165      0.00000
    123       1.5091      0.00000
    124       1.5561      0.00000
    125       1.6064      0.00000
    126       1.7104      0.00000
    127       1.8676      0.00000
    128       1.8921      0.00000
    129       1.9389      0.00000
    130       2.0507      0.00000
    131       2.0974      0.00000
    132       2.1965      0.00000
    133       2.3565      0.00000
    134       2.5198      0.00000
    135       2.6195      0.00000
    136       2.6537      0.00000
    137       2.7045      0.00000
    138       2.7592      0.00000
    139       2.9024      0.00000
    140       2.9703      0.00000
    141       3.0343      0.00000
    142       3.2017      0.00000
    143       3.2295      0.00000
    144       3.2607      0.00000
    145       3.3795      0.00000
    146       3.4143      0.00000
    147       3.4739      0.00000
    148       3.5424      0.00000
    149       3.6217      0.00000
    150       3.6412      0.00000
    151       3.6835      0.00000
    152       3.6971      0.00000
    153       3.8265      0.00000
    154       3.8957      0.00000
    155       3.9220      0.00000
    156       3.9426      0.00000
    157       3.9947      0.00000
    158       4.0245      0.00000
    159       4.0962      0.00000
    160       4.0998      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9688      1.00000
      2     -21.6102      1.00000
      3     -21.5609      1.00000
      4     -21.0365      1.00000
      5     -21.0130      1.00000
      6     -20.4912      1.00000
      7     -20.4433      1.00000
      8     -20.2838      1.00000
      9     -19.7352      1.00000
     10     -19.7333      1.00000
     11     -19.3785      1.00000
     12     -19.3568      1.00000
     13     -18.6575      1.00000
     14     -18.6536      1.00000
     15     -18.3023      1.00000
     16     -18.2917      1.00000
     17     -18.1247      1.00000
     18     -17.3543      1.00000
     19     -17.2927      1.00000
     20     -17.2801      1.00000
     21     -17.2534      1.00000
     22     -16.7871      1.00000
     23     -16.7735      1.00000
     24     -16.6263      1.00000
     25     -15.6627      1.00000
     26     -15.6071      1.00000
     27     -15.2517      1.00000
     28     -15.2417      1.00000
     29     -14.9729      1.00000
     30     -14.5286      1.00000
     31     -14.4992      1.00000
     32     -14.2524      1.00000
     33     -14.2124      1.00000
     34     -13.8387      1.00000
     35     -13.8313      1.00000
     36     -12.8126      1.00000
     37     -12.7577      1.00000
     38     -12.7177      1.00000
     39     -12.6935      1.00000
     40     -12.3878      1.00000
     41     -12.3791      1.00000
     42     -12.0061      1.00000
     43     -11.9798      1.00000
     44     -11.4425      1.00000
     45     -11.3054      1.00000
     46     -11.2440      1.00000
     47     -11.1257      1.00000
     48     -10.6059      1.00000
     49     -10.5906      1.00000
     50     -10.3031      1.00000
     51     -10.2915      1.00000
     52     -10.1714      1.00000
     53     -10.1698      1.00000
     54     -10.1116      1.00000
     55     -10.0996      1.00000
     56     -10.0223      1.00000
     57      -9.7102      1.00000
     58      -9.5816      1.00000
     59      -9.2843      1.00000
     60      -9.2275      1.00000
     61      -9.1513      1.00000
     62      -9.0824      1.00000
     63      -9.0650      1.00000
     64      -9.0451      1.00000
     65      -8.9988      1.00000
     66      -8.9676      1.00000
     67      -8.8616      1.00000
     68      -8.8278      1.00000
     69      -8.7835      1.00000
     70      -8.5353      1.00000
     71      -8.5288      1.00000
     72      -8.3979      1.00000
     73      -8.2797      1.00000
     74      -8.1260      1.00000
     75      -7.8832      1.00000
     76      -7.8447      1.00000
     77      -7.6001      1.00000
     78      -7.5342      1.00000
     79      -7.5034      1.00000
     80      -7.4999      1.00000
     81      -7.3872      1.00000
     82      -7.3754      1.00000
     83      -7.1325      1.00000
     84      -7.0764      1.00000
     85      -6.6054      1.00000
     86      -6.5806      1.00000
     87      -6.4809      1.00000
     88      -6.3523      1.00000
     89      -6.1137      1.00000
     90      -6.0512      1.00000
     91      -5.9790      1.00000
     92      -5.8988      1.00000
     93      -5.7321      1.00000
     94      -5.3406      1.00000
     95      -5.1659      1.00000
     96      -5.1248      1.00000
     97      -5.0550      1.00000
     98      -4.9023      1.00000
     99      -4.4509      1.00000
    100      -4.3966      1.00000
    101      -4.1594      1.00000
    102      -4.0365      1.00000
    103      -3.9393      1.00000
    104      -3.5534      1.00000
    105      -3.4888      1.00000
    106      -3.0584      1.00000
    107      -2.1232      0.00000
    108      -1.6017      0.00000
    109      -0.9395      0.00000
    110      -0.9069      0.00000
    111      -0.8430      0.00000
    112      -0.6365      0.00000
    113      -0.6279      0.00000
    114      -0.4960      0.00000
    115      -0.4841      0.00000
    116       0.4897      0.00000
    117       0.4922      0.00000
    118       0.5884      0.00000
    119       0.7925      0.00000
    120       1.0290      0.00000
    121       1.0841      0.00000
    122       1.2927      0.00000
    123       1.3039      0.00000
    124       1.4769      0.00000
    125       1.6373      0.00000
    126       1.7190      0.00000
    127       1.8333      0.00000
    128       2.0080      0.00000
    129       2.0660      0.00000
    130       2.0917      0.00000
    131       2.1681      0.00000
    132       2.3025      0.00000
    133       2.3445      0.00000
    134       2.4459      0.00000
    135       2.5514      0.00000
    136       2.7475      0.00000
    137       2.8100      0.00000
    138       2.8444      0.00000
    139       2.8842      0.00000
    140       2.9054      0.00000
    141       3.0472      0.00000
    142       3.0524      0.00000
    143       3.1220      0.00000
    144       3.1710      0.00000
    145       3.2668      0.00000
    146       3.3065      0.00000
    147       3.3736      0.00000
    148       3.4842      0.00000
    149       3.5897      0.00000
    150       3.5988      0.00000
    151       3.6846      0.00000
    152       3.6971      0.00000
    153       3.8054      0.00000
    154       3.8967      0.00000
    155       3.9548      0.00000
    156       3.9789      0.00000
    157       4.0021      0.00000
    158       4.0908      0.00000
    159       4.1703      0.00000
    160       4.1717      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8530      1.00000
      2     -21.7803      1.00000
      3     -21.6176      1.00000
      4     -21.0629      1.00000
      5     -20.7114      1.00000
      6     -20.6697      1.00000
      7     -20.1633      1.00000
      8     -20.1169      1.00000
      9     -19.9626      1.00000
     10     -19.9327      1.00000
     11     -19.6145      1.00000
     12     -19.5566      1.00000
     13     -18.5432      1.00000
     14     -18.4796      1.00000
     15     -18.0275      1.00000
     16     -17.9623      1.00000
     17     -17.8241      1.00000
     18     -17.7955      1.00000
     19     -17.4987      1.00000
     20     -17.4477      1.00000
     21     -16.9312      1.00000
     22     -16.9012      1.00000
     23     -16.8382      1.00000
     24     -16.7976      1.00000
     25     -15.7647      1.00000
     26     -15.5640      1.00000
     27     -15.5293      1.00000
     28     -15.4965      1.00000
     29     -14.9157      1.00000
     30     -14.2366      1.00000
     31     -14.1905      1.00000
     32     -13.9600      1.00000
     33     -13.6356      1.00000
     34     -13.6253      1.00000
     35     -13.4981      1.00000
     36     -13.4723      1.00000
     37     -13.2960      1.00000
     38     -13.2348      1.00000
     39     -13.0277      1.00000
     40     -12.2918      1.00000
     41     -11.8998      1.00000
     42     -11.8017      1.00000
     43     -11.7521      1.00000
     44     -11.6878      1.00000
     45     -11.3974      1.00000
     46     -11.3261      1.00000
     47     -11.1852      1.00000
     48     -10.8047      1.00000
     49     -10.7883      1.00000
     50     -10.4582      1.00000
     51     -10.4023      1.00000
     52     -10.0296      1.00000
     53      -9.8918      1.00000
     54      -9.8741      1.00000
     55      -9.8354      1.00000
     56      -9.6897      1.00000
     57      -9.6832      1.00000
     58      -9.6473      1.00000
     59      -9.4831      1.00000
     60      -9.4671      1.00000
     61      -9.4429      1.00000
     62      -9.4306      1.00000
     63      -9.1284      1.00000
     64      -9.0362      1.00000
     65      -8.7656      1.00000
     66      -8.7416      1.00000
     67      -8.7038      1.00000
     68      -8.6015      1.00000
     69      -8.5429      1.00000
     70      -8.3973      1.00000
     71      -8.3694      1.00000
     72      -8.2527      1.00000
     73      -8.2135      1.00000
     74      -8.1591      1.00000
     75      -8.1327      1.00000
     76      -8.0413      1.00000
     77      -7.9102      1.00000
     78      -7.7669      1.00000
     79      -7.7047      1.00000
     80      -7.5843      1.00000
     81      -7.4403      1.00000
     82      -7.2888      1.00000
     83      -7.2101      1.00000
     84      -6.6975      1.00000
     85      -6.6099      1.00000
     86      -6.5563      1.00000
     87      -6.4512      1.00000
     88      -6.2417      1.00000
     89      -6.1657      1.00000
     90      -6.1013      1.00000
     91      -5.9064      1.00000
     92      -5.6738      1.00000
     93      -5.5117      1.00000
     94      -5.4703      1.00000
     95      -5.2746      1.00000
     96      -5.1176      1.00000
     97      -4.9390      1.00000
     98      -4.9058      1.00000
     99      -4.9014      1.00000
    100      -4.4888      1.00000
    101      -4.1596      1.00000
    102      -4.0464      1.00000
    103      -3.9262      1.00000
    104      -3.5713      1.00000
    105      -3.5141      1.00000
    106      -2.8575      1.00000
    107      -2.2502      0.00000
    108      -1.6798      0.00000
    109      -0.9099      0.00000
    110      -0.8648      0.00000
    111      -0.8606      0.00000
    112      -0.7841      0.00000
    113      -0.1995      0.00000
    114      -0.1666      0.00000
    115      -0.0191      0.00000
    116       0.0025      0.00000
    117       0.2432      0.00000
    118       0.3238      0.00000
    119       0.7705      0.00000
    120       0.8578      0.00000
    121       0.9375      0.00000
    122       1.0600      0.00000
    123       1.2848      0.00000
    124       1.5214      0.00000
    125       1.5930      0.00000
    126       1.6801      0.00000
    127       1.9619      0.00000
    128       2.0169      0.00000
    129       2.0659      0.00000
    130       2.1172      0.00000
    131       2.3009      0.00000
    132       2.3721      0.00000
    133       2.4820      0.00000
    134       2.5804      0.00000
    135       2.6733      0.00000
    136       2.7638      0.00000
    137       2.9347      0.00000
    138       2.9888      0.00000
    139       3.0415      0.00000
    140       3.0528      0.00000
    141       3.1484      0.00000
    142       3.1666      0.00000
    143       3.1829      0.00000
    144       3.2215      0.00000
    145       3.3350      0.00000
    146       3.3956      0.00000
    147       3.4515      0.00000
    148       3.4713      0.00000
    149       3.4972      0.00000
    150       3.5367      0.00000
    151       3.5702      0.00000
    152       3.6001      0.00000
    153       3.6343      0.00000
    154       3.6975      0.00000
    155       3.7889      0.00000
    156       3.8977      0.00000
    157       3.9495      0.00000
    158       4.0455      0.00000
    159       4.1908      0.00000
    160       4.2044      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9684      1.00000
      2     -21.6163      1.00000
      3     -21.5549      1.00000
      4     -21.0456      1.00000
      5     -21.0039      1.00000
      6     -20.4966      1.00000
      7     -20.4374      1.00000
      8     -20.2829      1.00000
      9     -19.7562      1.00000
     10     -19.7153      1.00000
     11     -19.3849      1.00000
     12     -19.3482      1.00000
     13     -18.6787      1.00000
     14     -18.6349      1.00000
     15     -18.3213      1.00000
     16     -18.2753      1.00000
     17     -18.1238      1.00000
     18     -17.3425      1.00000
     19     -17.2986      1.00000
     20     -17.2722      1.00000
     21     -17.2459      1.00000
     22     -16.8132      1.00000
     23     -16.7573      1.00000
     24     -16.6407      1.00000
     25     -15.6880      1.00000
     26     -15.5780      1.00000
     27     -15.2734      1.00000
     28     -15.2342      1.00000
     29     -14.9409      1.00000
     30     -14.5598      1.00000
     31     -14.4922      1.00000
     32     -14.2469      1.00000
     33     -14.2052      1.00000
     34     -13.8361      1.00000
     35     -13.8249      1.00000
     36     -12.8646      1.00000
     37     -12.7589      1.00000
     38     -12.6979      1.00000
     39     -12.6837      1.00000
     40     -12.4088      1.00000
     41     -12.3605      1.00000
     42     -12.0072      1.00000
     43     -11.9843      1.00000
     44     -11.3776      1.00000
     45     -11.2926      1.00000
     46     -11.2334      1.00000
     47     -11.1817      1.00000
     48     -10.6050      1.00000
     49     -10.5898      1.00000
     50     -10.3394      1.00000
     51     -10.2651      1.00000
     52     -10.2124      1.00000
     53     -10.1686      1.00000
     54     -10.1273      1.00000
     55     -10.0736      1.00000
     56     -10.0218      1.00000
     57      -9.7121      1.00000
     58      -9.5766      1.00000
     59      -9.2888      1.00000
     60      -9.2234      1.00000
     61      -9.1295      1.00000
     62      -9.0975      1.00000
     63      -9.0745      1.00000
     64      -9.0440      1.00000
     65      -9.0058      1.00000
     66      -8.9532      1.00000
     67      -8.8422      1.00000
     68      -8.7997      1.00000
     69      -8.7805      1.00000
     70      -8.5422      1.00000
     71      -8.5321      1.00000
     72      -8.4108      1.00000
     73      -8.2695      1.00000
     74      -8.1543      1.00000
     75      -7.8752      1.00000
     76      -7.8467      1.00000
     77      -7.6331      1.00000
     78      -7.5402      1.00000
     79      -7.5028      1.00000
     80      -7.4523      1.00000
     81      -7.3950      1.00000
     82      -7.3597      1.00000
     83      -7.1622      1.00000
     84      -7.0493      1.00000
     85      -6.6261      1.00000
     86      -6.5857      1.00000
     87      -6.4938      1.00000
     88      -6.3060      1.00000
     89      -6.0973      1.00000
     90      -6.0431      1.00000
     91      -5.9813      1.00000
     92      -5.8754      1.00000
     93      -5.7952      1.00000
     94      -5.4802      1.00000
     95      -5.2690      1.00000
     96      -5.0627      1.00000
     97      -4.9036      1.00000
     98      -4.7697      1.00000
     99      -4.5153      1.00000
    100      -4.4350      1.00000
    101      -4.1733      1.00000
    102      -4.0044      1.00000
    103      -3.8623      1.00000
    104      -3.5952      1.00000
    105      -3.5204      1.00000
    106      -3.1680      1.00000
    107      -1.9272      0.00000
    108      -1.6940      0.00000
    109      -0.9865      0.00000
    110      -0.8967      0.00000
    111      -0.8731      0.00000
    112      -0.6337      0.00000
    113      -0.5813      0.00000
    114      -0.4928      0.00000
    115      -0.4668      0.00000
    116       0.3748      0.00000
    117       0.5307      0.00000
    118       0.5761      0.00000
    119       0.8147      0.00000
    120       1.0925      0.00000
    121       1.0996      0.00000
    122       1.2246      0.00000
    123       1.3558      0.00000
    124       1.4718      0.00000
    125       1.6023      0.00000
    126       1.7427      0.00000
    127       1.8325      0.00000
    128       1.9957      0.00000
    129       2.0730      0.00000
    130       2.0945      0.00000
    131       2.1584      0.00000
    132       2.3422      0.00000
    133       2.3483      0.00000
    134       2.4561      0.00000
    135       2.5113      0.00000
    136       2.7574      0.00000
    137       2.8072      0.00000
    138       2.8438      0.00000
    139       2.8771      0.00000
    140       2.9153      0.00000
    141       3.0350      0.00000
    142       3.0445      0.00000
    143       3.1245      0.00000
    144       3.1711      0.00000
    145       3.2670      0.00000
    146       3.3155      0.00000
    147       3.3842      0.00000
    148       3.4850      0.00000
    149       3.5768      0.00000
    150       3.6118      0.00000
    151       3.6834      0.00000
    152       3.6982      0.00000
    153       3.8023      0.00000
    154       3.8998      0.00000
    155       3.9303      0.00000
    156       3.9826      0.00000
    157       4.0000      0.00000
    158       4.1044      0.00000
    159       4.1356      0.00000
    160       4.1648      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0418      1.00000
      2     -21.4842      1.00000
      3     -21.2963      1.00000
      4     -21.2692      1.00000
      5     -20.9312      1.00000
      6     -20.8963      1.00000
      7     -20.7177      1.00000
      8     -19.8274      1.00000
      9     -19.7904      1.00000
     10     -19.2807      1.00000
     11     -19.2521      1.00000
     12     -19.0761      1.00000
     13     -18.7659      1.00000
     14     -18.7241      1.00000
     15     -18.7060      1.00000
     16     -18.6956      1.00000
     17     -18.0336      1.00000
     18     -18.0118      1.00000
     19     -17.6786      1.00000
     20     -16.7373      1.00000
     21     -16.6911      1.00000
     22     -16.6235      1.00000
     23     -16.6059      1.00000
     24     -16.1599      1.00000
     25     -16.1278      1.00000
     26     -15.2788      1.00000
     27     -15.2611      1.00000
     28     -14.9063      1.00000
     29     -14.8974      1.00000
     30     -14.8738      1.00000
     31     -14.7793      1.00000
     32     -14.7337      1.00000
     33     -14.3734      1.00000
     34     -14.3551      1.00000
     35     -13.4080      1.00000
     36     -13.3829      1.00000
     37     -12.9135      1.00000
     38     -12.3492      1.00000
     39     -12.2477      1.00000
     40     -12.1270      1.00000
     41     -12.1136      1.00000
     42     -11.7805      1.00000
     43     -11.7637      1.00000
     44     -11.3906      1.00000
     45     -11.3621      1.00000
     46     -11.2630      1.00000
     47     -10.9016      1.00000
     48     -10.8946      1.00000
     49     -10.6761      1.00000
     50     -10.6736      1.00000
     51     -10.5977      1.00000
     52     -10.5568      1.00000
     53     -10.1993      1.00000
     54      -9.8746      1.00000
     55      -9.8204      1.00000
     56      -9.7599      1.00000
     57      -9.5681      1.00000
     58      -9.3681      1.00000
     59      -9.3567      1.00000
     60      -9.3249      1.00000
     61      -9.2986      1.00000
     62      -9.2355      1.00000
     63      -9.1982      1.00000
     64      -8.9940      1.00000
     65      -8.9698      1.00000
     66      -8.9198      1.00000
     67      -8.9074      1.00000
     68      -8.8002      1.00000
     69      -8.7889      1.00000
     70      -8.7781      1.00000
     71      -8.6117      1.00000
     72      -8.5437      1.00000
     73      -8.2715      1.00000
     74      -8.2649      1.00000
     75      -7.8175      1.00000
     76      -7.7247      1.00000
     77      -7.5748      1.00000
     78      -7.5000      1.00000
     79      -7.4601      1.00000
     80      -7.4195      1.00000
     81      -7.1396      1.00000
     82      -6.9901      1.00000
     83      -6.9697      1.00000
     84      -6.9388      1.00000
     85      -6.8817      1.00000
     86      -6.6803      1.00000
     87      -6.5607      1.00000
     88      -6.4397      1.00000
     89      -6.3909      1.00000
     90      -6.3069      1.00000
     91      -5.8645      1.00000
     92      -5.7919      1.00000
     93      -5.7691      1.00000
     94      -5.6545      1.00000
     95      -5.5956      1.00000
     96      -5.0437      1.00000
     97      -4.6200      1.00000
     98      -4.5250      1.00000
     99      -4.3635      1.00000
    100      -4.2391      1.00000
    101      -4.1833      1.00000
    102      -3.8316      1.00000
    103      -3.8018      1.00000
    104      -3.7305      1.00000
    105      -3.4515      1.00000
    106      -3.4222      1.00000
    107      -1.8102      0.00000
    108      -1.4348      0.00000
    109      -1.3862      0.00000
    110      -1.0266      0.00000
    111      -1.0024      0.00000
    112      -0.9777      0.00000
    113      -0.8563      0.00000
    114      -0.2677      0.00000
    115       0.0431      0.00000
    116       0.0721      0.00000
    117       0.7444      0.00000
    118       0.9100      0.00000
    119       0.9324      0.00000
    120       1.2034      0.00000
    121       1.2655      0.00000
    122       1.3583      0.00000
    123       1.4310      0.00000
    124       1.4733      0.00000
    125       1.5470      0.00000
    126       1.6833      0.00000
    127       1.7585      0.00000
    128       1.9636      0.00000
    129       1.9823      0.00000
    130       2.1672      0.00000
    131       2.1997      0.00000
    132       2.2309      0.00000
    133       2.3361      0.00000
    134       2.3885      0.00000
    135       2.4266      0.00000
    136       2.5320      0.00000
    137       2.7004      0.00000
    138       2.7342      0.00000
    139       2.7864      0.00000
    140       2.8226      0.00000
    141       2.8756      0.00000
    142       3.0449      0.00000
    143       3.1285      0.00000
    144       3.1542      0.00000
    145       3.1705      0.00000
    146       3.2103      0.00000
    147       3.2262      0.00000
    148       3.4205      0.00000
    149       3.4250      0.00000
    150       3.4840      0.00000
    151       3.6020      0.00000
    152       3.6027      0.00000
    153       3.7910      0.00000
    154       3.8591      0.00000
    155       3.9250      0.00000
    156       4.0070      0.00000
    157       4.1346      0.00000
    158       4.1635      0.00000
    159       4.2091      0.00000
    160       4.3166      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8491      1.00000
      2     -21.7861      1.00000
      3     -21.6157      1.00000
      4     -21.0634      1.00000
      5     -20.7018      1.00000
      6     -20.6790      1.00000
      7     -20.1533      1.00000
      8     -20.1275      1.00000
      9     -19.9476      1.00000
     10     -19.9471      1.00000
     11     -19.6081      1.00000
     12     -19.5631      1.00000
     13     -18.5435      1.00000
     14     -18.4867      1.00000
     15     -17.9962      1.00000
     16     -17.9821      1.00000
     17     -17.8148      1.00000
     18     -17.8089      1.00000
     19     -17.4775      1.00000
     20     -17.4636      1.00000
     21     -16.9356      1.00000
     22     -16.9079      1.00000
     23     -16.8223      1.00000
     24     -16.8030      1.00000
     25     -15.7940      1.00000
     26     -15.5337      1.00000
     27     -15.5314      1.00000
     28     -15.5158      1.00000
     29     -14.8927      1.00000
     30     -14.2223      1.00000
     31     -14.2018      1.00000
     32     -13.9381      1.00000
     33     -13.6703      1.00000
     34     -13.6286      1.00000
     35     -13.4970      1.00000
     36     -13.4819      1.00000
     37     -13.2718      1.00000
     38     -13.2448      1.00000
     39     -13.0318      1.00000
     40     -12.3175      1.00000
     41     -11.8405      1.00000
     42     -11.8277      1.00000
     43     -11.7222      1.00000
     44     -11.6873      1.00000
     45     -11.4151      1.00000
     46     -11.3431      1.00000
     47     -11.1765      1.00000
     48     -10.8053      1.00000
     49     -10.7965      1.00000
     50     -10.4575      1.00000
     51     -10.4029      1.00000
     52     -10.0390      1.00000
     53      -9.8792      1.00000
     54      -9.8700      1.00000
     55      -9.8505      1.00000
     56      -9.7021      1.00000
     57      -9.6636      1.00000
     58      -9.6478      1.00000
     59      -9.4955      1.00000
     60      -9.4672      1.00000
     61      -9.4446      1.00000
     62      -9.4330      1.00000
     63      -9.1289      1.00000
     64      -9.0331      1.00000
     65      -8.7669      1.00000
     66      -8.7307      1.00000
     67      -8.6725      1.00000
     68      -8.6309      1.00000
     69      -8.5354      1.00000
     70      -8.3817      1.00000
     71      -8.3733      1.00000
     72      -8.2415      1.00000
     73      -8.2213      1.00000
     74      -8.1342      1.00000
     75      -8.1336      1.00000
     76      -8.0101      1.00000
     77      -7.9743      1.00000
     78      -7.7671      1.00000
     79      -7.7293      1.00000
     80      -7.6252      1.00000
     81      -7.3743      1.00000
     82      -7.2944      1.00000
     83      -7.1856      1.00000
     84      -6.7400      1.00000
     85      -6.6323      1.00000
     86      -6.5627      1.00000
     87      -6.3094      1.00000
     88      -6.2289      1.00000
     89      -6.1656      1.00000
     90      -6.1362      1.00000
     91      -6.0565      1.00000
     92      -5.6746      1.00000
     93      -5.4878      1.00000
     94      -5.4523      1.00000
     95      -5.2992      1.00000
     96      -5.0924      1.00000
     97      -4.9190      1.00000
     98      -4.9105      1.00000
     99      -4.8771      1.00000
    100      -4.4594      1.00000
    101      -4.1495      1.00000
    102      -4.0214      1.00000
    103      -3.9538      1.00000
    104      -3.5842      1.00000
    105      -3.5321      1.00000
    106      -2.9597      1.00000
    107      -2.1046      0.00000
    108      -1.7291      0.00000
    109      -0.8662      0.00000
    110      -0.8643      0.00000
    111      -0.8572      0.00000
    112      -0.8328      0.00000
    113      -0.1873      0.00000
    114      -0.1730      0.00000
    115      -0.0393      0.00000
    116      -0.0167      0.00000
    117       0.2946      0.00000
    118       0.3025      0.00000
    119       0.7497      0.00000
    120       0.8493      0.00000
    121       0.9915      0.00000
    122       1.0312      0.00000
    123       1.2462      0.00000
    124       1.5776      0.00000
    125       1.5792      0.00000
    126       1.6581      0.00000
    127       1.9670      0.00000
    128       2.0230      0.00000
    129       2.0703      0.00000
    130       2.1213      0.00000
    131       2.2983      0.00000
    132       2.3715      0.00000
    133       2.5396      0.00000
    134       2.5553      0.00000
    135       2.6564      0.00000
    136       2.8304      0.00000
    137       2.9333      0.00000
    138       2.9608      0.00000
    139       3.0295      0.00000
    140       3.0530      0.00000
    141       3.1180      0.00000
    142       3.1631      0.00000
    143       3.1966      0.00000
    144       3.2165      0.00000
    145       3.3374      0.00000
    146       3.3923      0.00000
    147       3.4367      0.00000
    148       3.4730      0.00000
    149       3.5055      0.00000
    150       3.5384      0.00000
    151       3.5603      0.00000
    152       3.5754      0.00000
    153       3.6307      0.00000
    154       3.6832      0.00000
    155       3.8054      0.00000
    156       3.9183      0.00000
    157       3.9503      0.00000
    158       4.0454      0.00000
    159       4.1824      0.00000
    160       4.2016      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9324      1.00000
      2     -21.7371      1.00000
      3     -21.3736      1.00000
      4     -21.3440      1.00000
      5     -20.6365      1.00000
      6     -20.5995      1.00000
      7     -20.2664      1.00000
      8     -20.2386      1.00000
      9     -20.2302      1.00000
     10     -19.6942      1.00000
     11     -19.1732      1.00000
     12     -19.1440      1.00000
     13     -18.9775      1.00000
     14     -18.9626      1.00000
     15     -18.1079      1.00000
     16     -18.0728      1.00000
     17     -17.5987      1.00000
     18     -17.5741      1.00000
     19     -17.4240      1.00000
     20     -17.3869      1.00000
     21     -17.1126      1.00000
     22     -17.0903      1.00000
     23     -17.0009      1.00000
     24     -16.1586      1.00000
     25     -16.1232      1.00000
     26     -15.6400      1.00000
     27     -15.0821      1.00000
     28     -15.0638      1.00000
     29     -14.7712      1.00000
     30     -14.7495      1.00000
     31     -14.5123      1.00000
     32     -14.5048      1.00000
     33     -13.9896      1.00000
     34     -13.9206      1.00000
     35     -13.1481      1.00000
     36     -13.0676      1.00000
     37     -12.8570      1.00000
     38     -12.8332      1.00000
     39     -12.6607      1.00000
     40     -12.6388      1.00000
     41     -12.2917      1.00000
     42     -12.2698      1.00000
     43     -11.8830      1.00000
     44     -11.2737      1.00000
     45     -11.2494      1.00000
     46     -11.1804      1.00000
     47     -10.9820      1.00000
     48     -10.9399      1.00000
     49     -10.8093      1.00000
     50     -10.3773      1.00000
     51     -10.3350      1.00000
     52     -10.0936      1.00000
     53      -9.9843      1.00000
     54      -9.9840      1.00000
     55      -9.8555      1.00000
     56      -9.7960      1.00000
     57      -9.7643      1.00000
     58      -9.4802      1.00000
     59      -9.4206      1.00000
     60      -9.3899      1.00000
     61      -9.3752      1.00000
     62      -9.3674      1.00000
     63      -9.3196      1.00000
     64      -9.0356      1.00000
     65      -9.0206      1.00000
     66      -8.9894      1.00000
     67      -8.6545      1.00000
     68      -8.6343      1.00000
     69      -8.5809      1.00000
     70      -8.4576      1.00000
     71      -8.2627      1.00000
     72      -8.1967      1.00000
     73      -8.0968      1.00000
     74      -8.0588      1.00000
     75      -7.9733      1.00000
     76      -7.9672      1.00000
     77      -7.9311      1.00000
     78      -7.9138      1.00000
     79      -7.9019      1.00000
     80      -7.4895      1.00000
     81      -7.2156      1.00000
     82      -7.0235      1.00000
     83      -6.9411      1.00000
     84      -6.8763      1.00000
     85      -6.8230      1.00000
     86      -6.6735      1.00000
     87      -6.6340      1.00000
     88      -6.2878      1.00000
     89      -6.2627      1.00000
     90      -6.1398      1.00000
     91      -5.9481      1.00000
     92      -5.6321      1.00000
     93      -5.5174      1.00000
     94      -5.3927      1.00000
     95      -5.3191      1.00000
     96      -5.0075      1.00000
     97      -4.9735      1.00000
     98      -4.9071      1.00000
     99      -4.8798      1.00000
    100      -4.2450      1.00000
    101      -4.1668      1.00000
    102      -3.9687      1.00000
    103      -3.7926      1.00000
    104      -3.6110      1.00000
    105      -3.5032      1.00000
    106      -3.3596      1.00000
    107      -1.7455      0.00000
    108      -1.5214      0.00000
    109      -1.4828      0.00000
    110      -0.7658      0.00000
    111      -0.7148      0.00000
    112      -0.6996      0.00000
    113      -0.3512      0.00000
    114      -0.3430      0.00000
    115      -0.2936      0.00000
    116      -0.2791      0.00000
    117       0.4670      0.00000
    118       0.5387      0.00000
    119       0.8239      0.00000
    120       1.0686      0.00000
    121       1.1260      0.00000
    122       1.3361      0.00000
    123       1.5374      0.00000
    124       1.5453      0.00000
    125       1.6297      0.00000
    126       1.7285      0.00000
    127       1.8647      0.00000
    128       1.9042      0.00000
    129       1.9420      0.00000
    130       2.0335      0.00000
    131       2.1424      0.00000
    132       2.2716      0.00000
    133       2.3548      0.00000
    134       2.5036      0.00000
    135       2.6186      0.00000
    136       2.6581      0.00000
    137       2.6842      0.00000
    138       2.7639      0.00000
    139       2.9002      0.00000
    140       2.9423      0.00000
    141       3.0344      0.00000
    142       3.2014      0.00000
    143       3.2292      0.00000
    144       3.2586      0.00000
    145       3.3681      0.00000
    146       3.4011      0.00000
    147       3.4755      0.00000
    148       3.5702      0.00000
    149       3.6383      0.00000
    150       3.6413      0.00000
    151       3.6618      0.00000
    152       3.6998      0.00000
    153       3.8261      0.00000
    154       3.8711      0.00000
    155       3.9209      0.00000
    156       3.9217      0.00000
    157       4.0020      0.00000
    158       4.0423      0.00000
    159       4.0863      0.00000
    160       4.0902      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0789      1.00000
      2     -21.2449      1.00000
      3     -21.1350      1.00000
      4     -21.1235      1.00000
      5     -21.1161      1.00000
      6     -21.0992      1.00000
      7     -21.0971      1.00000
      8     -19.3813      1.00000
      9     -19.3014      1.00000
     10     -19.2944      1.00000
     11     -19.2884      1.00000
     12     -19.2690      1.00000
     13     -19.2661      1.00000
     14     -18.4725      1.00000
     15     -18.4115      1.00000
     16     -18.4063      1.00000
     17     -18.3816      1.00000
     18     -18.3760      1.00000
     19     -18.3691      1.00000
     20     -16.3382      1.00000
     21     -16.2567      1.00000
     22     -16.2551      1.00000
     23     -16.2452      1.00000
     24     -16.2277      1.00000
     25     -16.2273      1.00000
     26     -15.3097      1.00000
     27     -15.2655      1.00000
     28     -15.2400      1.00000
     29     -15.2304      1.00000
     30     -15.2247      1.00000
     31     -15.2158      1.00000
     32     -13.9629      1.00000
     33     -13.9244      1.00000
     34     -13.9017      1.00000
     35     -13.8954      1.00000
     36     -13.8893      1.00000
     37     -13.8762      1.00000
     38     -11.7468      1.00000
     39     -11.5658      1.00000
     40     -11.5303      1.00000
     41     -11.5243      1.00000
     42     -11.5205      1.00000
     43     -11.5197      1.00000
     44     -11.4382      1.00000
     45     -11.4334      1.00000
     46     -11.4104      1.00000
     47     -11.3908      1.00000
     48     -11.3895      1.00000
     49     -11.3890      1.00000
     50     -11.1360      1.00000
     51     -10.2574      1.00000
     52     -10.0694      1.00000
     53     -10.0609      1.00000
     54     -10.0405      1.00000
     55     -10.0401      1.00000
     56     -10.0223      1.00000
     57      -9.9988      1.00000
     58      -9.4114      1.00000
     59      -9.1381      1.00000
     60      -9.0960      1.00000
     61      -9.0540      1.00000
     62      -9.0383      1.00000
     63      -9.0345      1.00000
     64      -8.8488      1.00000
     65      -8.7840      1.00000
     66      -8.7823      1.00000
     67      -8.7690      1.00000
     68      -8.7587      1.00000
     69      -8.7377      1.00000
     70      -8.7339      1.00000
     71      -8.7309      1.00000
     72      -8.7308      1.00000
     73      -8.7086      1.00000
     74      -8.6918      1.00000
     75      -8.6915      1.00000
     76      -7.3974      1.00000
     77      -7.2347      1.00000
     78      -7.1820      1.00000
     79      -7.1534      1.00000
     80      -7.1065      1.00000
     81      -7.1050      1.00000
     82      -7.0852      1.00000
     83      -7.0779      1.00000
     84      -6.9408      1.00000
     85      -6.9290      1.00000
     86      -6.9232      1.00000
     87      -6.9147      1.00000
     88      -6.3281      1.00000
     89      -6.2896      1.00000
     90      -6.0989      1.00000
     91      -6.0696      1.00000
     92      -6.0310      1.00000
     93      -6.0298      1.00000
     94      -5.6498      1.00000
     95      -5.6139      1.00000
     96      -4.9846      1.00000
     97      -4.6195      1.00000
     98      -4.2674      1.00000
     99      -4.2536      1.00000
    100      -4.0686      1.00000
    101      -4.0650      1.00000
    102      -4.0190      1.00000
    103      -3.8768      1.00000
    104      -3.5672      1.00000
    105      -3.4670      1.00000
    106      -3.4289      1.00000
    107      -1.8990      0.00000
    108      -1.2882      0.00000
    109      -1.2631      0.00000
    110      -1.2610      0.00000
    111      -1.2523      0.00000
    112      -1.2166      0.00000
    113      -1.0467      0.00000
    114       0.3637      0.00000
    115       0.4569      0.00000
    116       0.5331      0.00000
    117       0.5724      0.00000
    118       0.5864      0.00000
    119       0.5870      0.00000
    120       0.7610      0.00000
    121       1.2511      0.00000
    122       1.3228      0.00000
    123       1.3357      0.00000
    124       1.6508      0.00000
    125       1.9321      0.00000
    126       1.9362      0.00000
    127       1.9531      0.00000
    128       2.0196      0.00000
    129       2.1725      0.00000
    130       2.2903      0.00000
    131       2.2943      0.00000
    132       2.2954      0.00000
    133       2.2995      0.00000
    134       2.3050      0.00000
    135       2.3460      0.00000
    136       2.4107      0.00000
    137       2.5216      0.00000
    138       2.6709      0.00000
    139       2.6741      0.00000
    140       2.7228      0.00000
    141       2.7599      0.00000
    142       2.8366      0.00000
    143       2.8596      0.00000
    144       2.9916      0.00000
    145       2.9990      0.00000
    146       3.0079      0.00000
    147       3.0128      0.00000
    148       3.2755      0.00000
    149       3.4724      0.00000
    150       3.6004      0.00000
    151       3.7454      0.00000
    152       3.7595      0.00000
    153       3.9216      0.00000
    154       3.9279      0.00000
    155       3.9513      0.00000
    156       3.9850      0.00000
    157       4.1815      0.00000
    158       4.1842      0.00000
    159       4.3248      0.00000
    160       4.3274      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0419      1.00000
      2     -21.4825      1.00000
      3     -21.3003      1.00000
      4     -21.2676      1.00000
      5     -20.9314      1.00000
      6     -20.8939      1.00000
      7     -20.7197      1.00000
      8     -19.8288      1.00000
      9     -19.7890      1.00000
     10     -19.2793      1.00000
     11     -19.2491      1.00000
     12     -19.0819      1.00000
     13     -18.7585      1.00000
     14     -18.7217      1.00000
     15     -18.7106      1.00000
     16     -18.6983      1.00000
     17     -18.0331      1.00000
     18     -18.0083      1.00000
     19     -17.6863      1.00000
     20     -16.7474      1.00000
     21     -16.6922      1.00000
     22     -16.6191      1.00000
     23     -16.6033      1.00000
     24     -16.1441      1.00000
     25     -16.1228      1.00000
     26     -15.2938      1.00000
     27     -15.2649      1.00000
     28     -14.9401      1.00000
     29     -14.9009      1.00000
     30     -14.8432      1.00000
     31     -14.7636      1.00000
     32     -14.7352      1.00000
     33     -14.3747      1.00000
     34     -14.3573      1.00000
     35     -13.4119      1.00000
     36     -13.3870      1.00000
     37     -12.9088      1.00000
     38     -12.3074      1.00000
     39     -12.2522      1.00000
     40     -12.1271      1.00000
     41     -12.1083      1.00000
     42     -11.8259      1.00000
     43     -11.7747      1.00000
     44     -11.4406      1.00000
     45     -11.3495      1.00000
     46     -11.2035      1.00000
     47     -10.9022      1.00000
     48     -10.8899      1.00000
     49     -10.6870      1.00000
     50     -10.6727      1.00000
     51     -10.5939      1.00000
     52     -10.5690      1.00000
     53     -10.1911      1.00000
     54      -9.8286      1.00000
     55      -9.8185      1.00000
     56      -9.7729      1.00000
     57      -9.5759      1.00000
     58      -9.4004      1.00000
     59      -9.3718      1.00000
     60      -9.3098      1.00000
     61      -9.2834      1.00000
     62      -9.2484      1.00000
     63      -9.2035      1.00000
     64      -8.9853      1.00000
     65      -8.9752      1.00000
     66      -8.9264      1.00000
     67      -8.8823      1.00000
     68      -8.8177      1.00000
     69      -8.7828      1.00000
     70      -8.7733      1.00000
     71      -8.6103      1.00000
     72      -8.5448      1.00000
     73      -8.2963      1.00000
     74      -8.2687      1.00000
     75      -7.7837      1.00000
     76      -7.7208      1.00000
     77      -7.5662      1.00000
     78      -7.5348      1.00000
     79      -7.4331      1.00000
     80      -7.4303      1.00000
     81      -7.0728      1.00000
     82      -7.0473      1.00000
     83      -7.0210      1.00000
     84      -6.9828      1.00000
     85      -6.7930      1.00000
     86      -6.6960      1.00000
     87      -6.5524      1.00000
     88      -6.4654      1.00000
     89      -6.3662      1.00000
     90      -6.3050      1.00000
     91      -5.8406      1.00000
     92      -5.8124      1.00000
     93      -5.8015      1.00000
     94      -5.6898      1.00000
     95      -5.4783      1.00000
     96      -5.0483      1.00000
     97      -4.7417      1.00000
     98      -4.4589      1.00000
     99      -4.3727      1.00000
    100      -4.2099      1.00000
    101      -4.1660      1.00000
    102      -4.0191      1.00000
    103      -3.8285      1.00000
    104      -3.5245      1.00000
    105      -3.4557      1.00000
    106      -3.4038      1.00000
    107      -1.9186      0.00000
    108      -1.4344      0.00000
    109      -1.3134      0.00000
    110      -1.0119      0.00000
    111      -0.9750      0.00000
    112      -0.9582      0.00000
    113      -0.9110      0.00000
    114      -0.3119      0.00000
    115       0.0588      0.00000
    116       0.1046      0.00000
    117       0.7612      0.00000
    118       0.8733      0.00000
    119       1.0136      0.00000
    120       1.0801      0.00000
    121       1.2838      0.00000
    122       1.3689      0.00000
    123       1.4287      0.00000
    124       1.4949      0.00000
    125       1.5631      0.00000
    126       1.6742      0.00000
    127       1.7615      0.00000
    128       1.9657      0.00000
    129       1.9867      0.00000
    130       2.1193      0.00000
    131       2.2010      0.00000
    132       2.2598      0.00000
    133       2.3388      0.00000
    134       2.3759      0.00000
    135       2.4277      0.00000
    136       2.5306      0.00000
    137       2.7061      0.00000
    138       2.7366      0.00000
    139       2.7766      0.00000
    140       2.8338      0.00000
    141       2.8828      0.00000
    142       3.0560      0.00000
    143       3.1179      0.00000
    144       3.1293      0.00000
    145       3.1605      0.00000
    146       3.1853      0.00000
    147       3.2365      0.00000
    148       3.4240      0.00000
    149       3.4686      0.00000
    150       3.4952      0.00000
    151       3.5999      0.00000
    152       3.6049      0.00000
    153       3.7913      0.00000
    154       3.8561      0.00000
    155       3.9279      0.00000
    156       4.0311      0.00000
    157       4.1323      0.00000
    158       4.1439      0.00000
    159       4.2048      0.00000
    160       4.3021      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9335      1.00000
      2     -21.7347      1.00000
      3     -21.3768      1.00000
      4     -21.3421      1.00000
      5     -20.6381      1.00000
      6     -20.5977      1.00000
      7     -20.2752      1.00000
      8     -20.2352      1.00000
      9     -20.2257      1.00000
     10     -19.6947      1.00000
     11     -19.1755      1.00000
     12     -19.1421      1.00000
     13     -18.9760      1.00000
     14     -18.9571      1.00000
     15     -18.1161      1.00000
     16     -18.0724      1.00000
     17     -17.5999      1.00000
     18     -17.5702      1.00000
     19     -17.4282      1.00000
     20     -17.3881      1.00000
     21     -17.1112      1.00000
     22     -17.0884      1.00000
     23     -17.0108      1.00000
     24     -16.1395      1.00000
     25     -16.1193      1.00000
     26     -15.6249      1.00000
     27     -15.0944      1.00000
     28     -15.0674      1.00000
     29     -14.7764      1.00000
     30     -14.7526      1.00000
     31     -14.5433      1.00000
     32     -14.5104      1.00000
     33     -13.9605      1.00000
     34     -13.9234      1.00000
     35     -13.1177      1.00000
     36     -13.0713      1.00000
     37     -12.8679      1.00000
     38     -12.8385      1.00000
     39     -12.6451      1.00000
     40     -12.6304      1.00000
     41     -12.3091      1.00000
     42     -12.2765      1.00000
     43     -11.8794      1.00000
     44     -11.3709      1.00000
     45     -11.2061      1.00000
     46     -11.1538      1.00000
     47     -10.9596      1.00000
     48     -10.9500      1.00000
     49     -10.8107      1.00000
     50     -10.3495      1.00000
     51     -10.3341      1.00000
     52     -10.0948      1.00000
     53      -9.9893      1.00000
     54      -9.9841      1.00000
     55      -9.8425      1.00000
     56      -9.7870      1.00000
     57      -9.7812      1.00000
     58      -9.4630      1.00000
     59      -9.4454      1.00000
     60      -9.4000      1.00000
     61      -9.3702      1.00000
     62      -9.3538      1.00000
     63      -9.3231      1.00000
     64      -9.0332      1.00000
     65      -9.0208      1.00000
     66      -8.9871      1.00000
     67      -8.7024      1.00000
     68      -8.6343      1.00000
     69      -8.5449      1.00000
     70      -8.4767      1.00000
     71      -8.2738      1.00000
     72      -8.1899      1.00000
     73      -8.0705      1.00000
     74      -8.0558      1.00000
     75      -8.0114      1.00000
     76      -7.9580      1.00000
     77      -7.9333      1.00000
     78      -7.9270      1.00000
     79      -7.9044      1.00000
     80      -7.4691      1.00000
     81      -7.0717      1.00000
     82      -7.0290      1.00000
     83      -7.0185      1.00000
     84      -6.9194      1.00000
     85      -6.8964      1.00000
     86      -6.6630      1.00000
     87      -6.6547      1.00000
     88      -6.3049      1.00000
     89      -6.2423      1.00000
     90      -5.9753      1.00000
     91      -5.9096      1.00000
     92      -5.7344      1.00000
     93      -5.5212      1.00000
     94      -5.3943      1.00000
     95      -5.2322      1.00000
     96      -5.0655      1.00000
     97      -5.0026      1.00000
     98      -4.9020      1.00000
     99      -4.9006      1.00000
    100      -4.3191      1.00000
    101      -4.1612      1.00000
    102      -4.0612      1.00000
    103      -3.7723      1.00000
    104      -3.5600      1.00000
    105      -3.3579      1.00000
    106      -3.3476      1.00000
    107      -1.9427      0.00000
    108      -1.5318      0.00000
    109      -1.3409      0.00000
    110      -0.8297      0.00000
    111      -0.7067      0.00000
    112      -0.6619      0.00000
    113      -0.3477      0.00000
    114      -0.3133      0.00000
    115      -0.3028      0.00000
    116      -0.2828      0.00000
    117       0.4532      0.00000
    118       0.5390      0.00000
    119       0.8232      0.00000
    120       1.0792      0.00000
    121       1.1366      0.00000
    122       1.4165      0.00000
    123       1.5091      0.00000
    124       1.5561      0.00000
    125       1.6064      0.00000
    126       1.7104      0.00000
    127       1.8676      0.00000
    128       1.8921      0.00000
    129       1.9389      0.00000
    130       2.0507      0.00000
    131       2.0974      0.00000
    132       2.1965      0.00000
    133       2.3565      0.00000
    134       2.5198      0.00000
    135       2.6195      0.00000
    136       2.6537      0.00000
    137       2.7045      0.00000
    138       2.7592      0.00000
    139       2.9024      0.00000
    140       2.9703      0.00000
    141       3.0343      0.00000
    142       3.2017      0.00000
    143       3.2295      0.00000
    144       3.2607      0.00000
    145       3.3795      0.00000
    146       3.4143      0.00000
    147       3.4739      0.00000
    148       3.5424      0.00000
    149       3.6217      0.00000
    150       3.6412      0.00000
    151       3.6835      0.00000
    152       3.6971      0.00000
    153       3.8265      0.00000
    154       3.8957      0.00000
    155       3.9220      0.00000
    156       3.9426      0.00000
    157       3.9947      0.00000
    158       4.0245      0.00000
    159       4.0962      0.00000
    160       4.0998      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9688      1.00000
      2     -21.6102      1.00000
      3     -21.5609      1.00000
      4     -21.0365      1.00000
      5     -21.0130      1.00000
      6     -20.4912      1.00000
      7     -20.4433      1.00000
      8     -20.2838      1.00000
      9     -19.7352      1.00000
     10     -19.7333      1.00000
     11     -19.3785      1.00000
     12     -19.3568      1.00000
     13     -18.6575      1.00000
     14     -18.6536      1.00000
     15     -18.3023      1.00000
     16     -18.2917      1.00000
     17     -18.1247      1.00000
     18     -17.3543      1.00000
     19     -17.2927      1.00000
     20     -17.2801      1.00000
     21     -17.2534      1.00000
     22     -16.7871      1.00000
     23     -16.7735      1.00000
     24     -16.6263      1.00000
     25     -15.6627      1.00000
     26     -15.6071      1.00000
     27     -15.2517      1.00000
     28     -15.2417      1.00000
     29     -14.9729      1.00000
     30     -14.5286      1.00000
     31     -14.4992      1.00000
     32     -14.2524      1.00000
     33     -14.2124      1.00000
     34     -13.8387      1.00000
     35     -13.8313      1.00000
     36     -12.8126      1.00000
     37     -12.7577      1.00000
     38     -12.7177      1.00000
     39     -12.6935      1.00000
     40     -12.3878      1.00000
     41     -12.3791      1.00000
     42     -12.0061      1.00000
     43     -11.9798      1.00000
     44     -11.4425      1.00000
     45     -11.3054      1.00000
     46     -11.2440      1.00000
     47     -11.1257      1.00000
     48     -10.6059      1.00000
     49     -10.5906      1.00000
     50     -10.3031      1.00000
     51     -10.2915      1.00000
     52     -10.1714      1.00000
     53     -10.1698      1.00000
     54     -10.1116      1.00000
     55     -10.0996      1.00000
     56     -10.0223      1.00000
     57      -9.7102      1.00000
     58      -9.5816      1.00000
     59      -9.2843      1.00000
     60      -9.2275      1.00000
     61      -9.1513      1.00000
     62      -9.0824      1.00000
     63      -9.0650      1.00000
     64      -9.0451      1.00000
     65      -8.9988      1.00000
     66      -8.9676      1.00000
     67      -8.8616      1.00000
     68      -8.8278      1.00000
     69      -8.7835      1.00000
     70      -8.5353      1.00000
     71      -8.5288      1.00000
     72      -8.3979      1.00000
     73      -8.2797      1.00000
     74      -8.1260      1.00000
     75      -7.8832      1.00000
     76      -7.8447      1.00000
     77      -7.6001      1.00000
     78      -7.5342      1.00000
     79      -7.5034      1.00000
     80      -7.4999      1.00000
     81      -7.3872      1.00000
     82      -7.3754      1.00000
     83      -7.1325      1.00000
     84      -7.0764      1.00000
     85      -6.6054      1.00000
     86      -6.5806      1.00000
     87      -6.4809      1.00000
     88      -6.3523      1.00000
     89      -6.1137      1.00000
     90      -6.0512      1.00000
     91      -5.9790      1.00000
     92      -5.8988      1.00000
     93      -5.7321      1.00000
     94      -5.3406      1.00000
     95      -5.1659      1.00000
     96      -5.1248      1.00000
     97      -5.0550      1.00000
     98      -4.9023      1.00000
     99      -4.4509      1.00000
    100      -4.3966      1.00000
    101      -4.1594      1.00000
    102      -4.0365      1.00000
    103      -3.9393      1.00000
    104      -3.5534      1.00000
    105      -3.4888      1.00000
    106      -3.0584      1.00000
    107      -2.1232      0.00000
    108      -1.6017      0.00000
    109      -0.9395      0.00000
    110      -0.9069      0.00000
    111      -0.8430      0.00000
    112      -0.6365      0.00000
    113      -0.6279      0.00000
    114      -0.4960      0.00000
    115      -0.4841      0.00000
    116       0.4897      0.00000
    117       0.4922      0.00000
    118       0.5884      0.00000
    119       0.7925      0.00000
    120       1.0290      0.00000
    121       1.0841      0.00000
    122       1.2927      0.00000
    123       1.3039      0.00000
    124       1.4769      0.00000
    125       1.6373      0.00000
    126       1.7190      0.00000
    127       1.8333      0.00000
    128       2.0080      0.00000
    129       2.0660      0.00000
    130       2.0917      0.00000
    131       2.1681      0.00000
    132       2.3025      0.00000
    133       2.3445      0.00000
    134       2.4459      0.00000
    135       2.5514      0.00000
    136       2.7475      0.00000
    137       2.8100      0.00000
    138       2.8444      0.00000
    139       2.8842      0.00000
    140       2.9054      0.00000
    141       3.0472      0.00000
    142       3.0524      0.00000
    143       3.1220      0.00000
    144       3.1710      0.00000
    145       3.2668      0.00000
    146       3.3065      0.00000
    147       3.3736      0.00000
    148       3.4842      0.00000
    149       3.5897      0.00000
    150       3.5988      0.00000
    151       3.6846      0.00000
    152       3.6971      0.00000
    153       3.8054      0.00000
    154       3.8967      0.00000
    155       3.9548      0.00000
    156       3.9789      0.00000
    157       4.0021      0.00000
    158       4.0908      0.00000
    159       4.1703      0.00000
    160       4.1717      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8530      1.00000
      2     -21.7803      1.00000
      3     -21.6176      1.00000
      4     -21.0629      1.00000
      5     -20.7114      1.00000
      6     -20.6697      1.00000
      7     -20.1633      1.00000
      8     -20.1169      1.00000
      9     -19.9626      1.00000
     10     -19.9327      1.00000
     11     -19.6145      1.00000
     12     -19.5566      1.00000
     13     -18.5432      1.00000
     14     -18.4796      1.00000
     15     -18.0275      1.00000
     16     -17.9623      1.00000
     17     -17.8241      1.00000
     18     -17.7955      1.00000
     19     -17.4987      1.00000
     20     -17.4477      1.00000
     21     -16.9312      1.00000
     22     -16.9012      1.00000
     23     -16.8382      1.00000
     24     -16.7976      1.00000
     25     -15.7647      1.00000
     26     -15.5640      1.00000
     27     -15.5293      1.00000
     28     -15.4965      1.00000
     29     -14.9157      1.00000
     30     -14.2366      1.00000
     31     -14.1905      1.00000
     32     -13.9600      1.00000
     33     -13.6356      1.00000
     34     -13.6253      1.00000
     35     -13.4981      1.00000
     36     -13.4723      1.00000
     37     -13.2960      1.00000
     38     -13.2348      1.00000
     39     -13.0277      1.00000
     40     -12.2918      1.00000
     41     -11.8998      1.00000
     42     -11.8017      1.00000
     43     -11.7521      1.00000
     44     -11.6878      1.00000
     45     -11.3974      1.00000
     46     -11.3261      1.00000
     47     -11.1852      1.00000
     48     -10.8047      1.00000
     49     -10.7883      1.00000
     50     -10.4582      1.00000
     51     -10.4023      1.00000
     52     -10.0296      1.00000
     53      -9.8918      1.00000
     54      -9.8741      1.00000
     55      -9.8354      1.00000
     56      -9.6897      1.00000
     57      -9.6832      1.00000
     58      -9.6473      1.00000
     59      -9.4831      1.00000
     60      -9.4671      1.00000
     61      -9.4429      1.00000
     62      -9.4306      1.00000
     63      -9.1284      1.00000
     64      -9.0362      1.00000
     65      -8.7656      1.00000
     66      -8.7416      1.00000
     67      -8.7038      1.00000
     68      -8.6015      1.00000
     69      -8.5429      1.00000
     70      -8.3973      1.00000
     71      -8.3694      1.00000
     72      -8.2527      1.00000
     73      -8.2135      1.00000
     74      -8.1591      1.00000
     75      -8.1327      1.00000
     76      -8.0413      1.00000
     77      -7.9102      1.00000
     78      -7.7669      1.00000
     79      -7.7047      1.00000
     80      -7.5843      1.00000
     81      -7.4403      1.00000
     82      -7.2888      1.00000
     83      -7.2101      1.00000
     84      -6.6975      1.00000
     85      -6.6099      1.00000
     86      -6.5563      1.00000
     87      -6.4512      1.00000
     88      -6.2417      1.00000
     89      -6.1657      1.00000
     90      -6.1013      1.00000
     91      -5.9064      1.00000
     92      -5.6738      1.00000
     93      -5.5117      1.00000
     94      -5.4703      1.00000
     95      -5.2746      1.00000
     96      -5.1176      1.00000
     97      -4.9390      1.00000
     98      -4.9058      1.00000
     99      -4.9014      1.00000
    100      -4.4888      1.00000
    101      -4.1596      1.00000
    102      -4.0464      1.00000
    103      -3.9262      1.00000
    104      -3.5713      1.00000
    105      -3.5141      1.00000
    106      -2.8575      1.00000
    107      -2.2502      0.00000
    108      -1.6798      0.00000
    109      -0.9099      0.00000
    110      -0.8648      0.00000
    111      -0.8606      0.00000
    112      -0.7841      0.00000
    113      -0.1995      0.00000
    114      -0.1666      0.00000
    115      -0.0191      0.00000
    116       0.0025      0.00000
    117       0.2432      0.00000
    118       0.3238      0.00000
    119       0.7705      0.00000
    120       0.8578      0.00000
    121       0.9375      0.00000
    122       1.0600      0.00000
    123       1.2848      0.00000
    124       1.5214      0.00000
    125       1.5930      0.00000
    126       1.6801      0.00000
    127       1.9619      0.00000
    128       2.0169      0.00000
    129       2.0659      0.00000
    130       2.1172      0.00000
    131       2.3009      0.00000
    132       2.3721      0.00000
    133       2.4820      0.00000
    134       2.5804      0.00000
    135       2.6733      0.00000
    136       2.7638      0.00000
    137       2.9347      0.00000
    138       2.9888      0.00000
    139       3.0415      0.00000
    140       3.0528      0.00000
    141       3.1484      0.00000
    142       3.1666      0.00000
    143       3.1829      0.00000
    144       3.2215      0.00000
    145       3.3350      0.00000
    146       3.3956      0.00000
    147       3.4515      0.00000
    148       3.4713      0.00000
    149       3.4972      0.00000
    150       3.5367      0.00000
    151       3.5702      0.00000
    152       3.6001      0.00000
    153       3.6343      0.00000
    154       3.6975      0.00000
    155       3.7889      0.00000
    156       3.8977      0.00000
    157       3.9495      0.00000
    158       4.0455      0.00000
    159       4.1907      0.00000
    160       4.2044      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9684      1.00000
      2     -21.6163      1.00000
      3     -21.5549      1.00000
      4     -21.0456      1.00000
      5     -21.0039      1.00000
      6     -20.4966      1.00000
      7     -20.4374      1.00000
      8     -20.2829      1.00000
      9     -19.7562      1.00000
     10     -19.7153      1.00000
     11     -19.3849      1.00000
     12     -19.3482      1.00000
     13     -18.6787      1.00000
     14     -18.6349      1.00000
     15     -18.3213      1.00000
     16     -18.2753      1.00000
     17     -18.1238      1.00000
     18     -17.3425      1.00000
     19     -17.2986      1.00000
     20     -17.2722      1.00000
     21     -17.2459      1.00000
     22     -16.8132      1.00000
     23     -16.7573      1.00000
     24     -16.6407      1.00000
     25     -15.6880      1.00000
     26     -15.5780      1.00000
     27     -15.2734      1.00000
     28     -15.2342      1.00000
     29     -14.9409      1.00000
     30     -14.5598      1.00000
     31     -14.4922      1.00000
     32     -14.2469      1.00000
     33     -14.2052      1.00000
     34     -13.8361      1.00000
     35     -13.8249      1.00000
     36     -12.8646      1.00000
     37     -12.7589      1.00000
     38     -12.6979      1.00000
     39     -12.6837      1.00000
     40     -12.4088      1.00000
     41     -12.3605      1.00000
     42     -12.0072      1.00000
     43     -11.9843      1.00000
     44     -11.3776      1.00000
     45     -11.2926      1.00000
     46     -11.2334      1.00000
     47     -11.1817      1.00000
     48     -10.6050      1.00000
     49     -10.5898      1.00000
     50     -10.3394      1.00000
     51     -10.2651      1.00000
     52     -10.2124      1.00000
     53     -10.1686      1.00000
     54     -10.1273      1.00000
     55     -10.0736      1.00000
     56     -10.0218      1.00000
     57      -9.7121      1.00000
     58      -9.5766      1.00000
     59      -9.2888      1.00000
     60      -9.2234      1.00000
     61      -9.1295      1.00000
     62      -9.0975      1.00000
     63      -9.0745      1.00000
     64      -9.0440      1.00000
     65      -9.0058      1.00000
     66      -8.9532      1.00000
     67      -8.8422      1.00000
     68      -8.7997      1.00000
     69      -8.7805      1.00000
     70      -8.5422      1.00000
     71      -8.5321      1.00000
     72      -8.4108      1.00000
     73      -8.2695      1.00000
     74      -8.1543      1.00000
     75      -7.8752      1.00000
     76      -7.8467      1.00000
     77      -7.6331      1.00000
     78      -7.5402      1.00000
     79      -7.5028      1.00000
     80      -7.4523      1.00000
     81      -7.3950      1.00000
     82      -7.3597      1.00000
     83      -7.1622      1.00000
     84      -7.0493      1.00000
     85      -6.6261      1.00000
     86      -6.5857      1.00000
     87      -6.4938      1.00000
     88      -6.3060      1.00000
     89      -6.0973      1.00000
     90      -6.0431      1.00000
     91      -5.9813      1.00000
     92      -5.8754      1.00000
     93      -5.7952      1.00000
     94      -5.4802      1.00000
     95      -5.2690      1.00000
     96      -5.0627      1.00000
     97      -4.9036      1.00000
     98      -4.7697      1.00000
     99      -4.5153      1.00000
    100      -4.4350      1.00000
    101      -4.1733      1.00000
    102      -4.0044      1.00000
    103      -3.8623      1.00000
    104      -3.5952      1.00000
    105      -3.5204      1.00000
    106      -3.1680      1.00000
    107      -1.9272      0.00000
    108      -1.6940      0.00000
    109      -0.9865      0.00000
    110      -0.8967      0.00000
    111      -0.8731      0.00000
    112      -0.6337      0.00000
    113      -0.5813      0.00000
    114      -0.4928      0.00000
    115      -0.4668      0.00000
    116       0.3748      0.00000
    117       0.5307      0.00000
    118       0.5761      0.00000
    119       0.8147      0.00000
    120       1.0925      0.00000
    121       1.0996      0.00000
    122       1.2246      0.00000
    123       1.3558      0.00000
    124       1.4718      0.00000
    125       1.6023      0.00000
    126       1.7427      0.00000
    127       1.8325      0.00000
    128       1.9957      0.00000
    129       2.0729      0.00000
    130       2.0945      0.00000
    131       2.1584      0.00000
    132       2.3422      0.00000
    133       2.3483      0.00000
    134       2.4561      0.00000
    135       2.5113      0.00000
    136       2.7574      0.00000
    137       2.8072      0.00000
    138       2.8438      0.00000
    139       2.8771      0.00000
    140       2.9153      0.00000
    141       3.0350      0.00000
    142       3.0445      0.00000
    143       3.1245      0.00000
    144       3.1711      0.00000
    145       3.2670      0.00000
    146       3.3155      0.00000
    147       3.3842      0.00000
    148       3.4850      0.00000
    149       3.5768      0.00000
    150       3.6118      0.00000
    151       3.6834      0.00000
    152       3.6982      0.00000
    153       3.8023      0.00000
    154       3.8998      0.00000
    155       3.9303      0.00000
    156       3.9826      0.00000
    157       4.0000      0.00000
    158       4.1044      0.00000
    159       4.1356      0.00000
    160       4.1648      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0418      1.00000
      2     -21.4842      1.00000
      3     -21.2963      1.00000
      4     -21.2692      1.00000
      5     -20.9312      1.00000
      6     -20.8963      1.00000
      7     -20.7177      1.00000
      8     -19.8274      1.00000
      9     -19.7904      1.00000
     10     -19.2807      1.00000
     11     -19.2521      1.00000
     12     -19.0761      1.00000
     13     -18.7659      1.00000
     14     -18.7241      1.00000
     15     -18.7060      1.00000
     16     -18.6956      1.00000
     17     -18.0336      1.00000
     18     -18.0118      1.00000
     19     -17.6786      1.00000
     20     -16.7373      1.00000
     21     -16.6911      1.00000
     22     -16.6235      1.00000
     23     -16.6059      1.00000
     24     -16.1599      1.00000
     25     -16.1278      1.00000
     26     -15.2788      1.00000
     27     -15.2611      1.00000
     28     -14.9063      1.00000
     29     -14.8974      1.00000
     30     -14.8738      1.00000
     31     -14.7793      1.00000
     32     -14.7337      1.00000
     33     -14.3734      1.00000
     34     -14.3551      1.00000
     35     -13.4080      1.00000
     36     -13.3829      1.00000
     37     -12.9135      1.00000
     38     -12.3492      1.00000
     39     -12.2477      1.00000
     40     -12.1270      1.00000
     41     -12.1136      1.00000
     42     -11.7805      1.00000
     43     -11.7637      1.00000
     44     -11.3906      1.00000
     45     -11.3621      1.00000
     46     -11.2630      1.00000
     47     -10.9016      1.00000
     48     -10.8946      1.00000
     49     -10.6761      1.00000
     50     -10.6736      1.00000
     51     -10.5977      1.00000
     52     -10.5568      1.00000
     53     -10.1993      1.00000
     54      -9.8746      1.00000
     55      -9.8204      1.00000
     56      -9.7599      1.00000
     57      -9.5681      1.00000
     58      -9.3681      1.00000
     59      -9.3567      1.00000
     60      -9.3249      1.00000
     61      -9.2986      1.00000
     62      -9.2355      1.00000
     63      -9.1982      1.00000
     64      -8.9940      1.00000
     65      -8.9698      1.00000
     66      -8.9198      1.00000
     67      -8.9074      1.00000
     68      -8.8002      1.00000
     69      -8.7889      1.00000
     70      -8.7781      1.00000
     71      -8.6117      1.00000
     72      -8.5437      1.00000
     73      -8.2715      1.00000
     74      -8.2649      1.00000
     75      -7.8175      1.00000
     76      -7.7247      1.00000
     77      -7.5748      1.00000
     78      -7.5000      1.00000
     79      -7.4601      1.00000
     80      -7.4195      1.00000
     81      -7.1396      1.00000
     82      -6.9901      1.00000
     83      -6.9697      1.00000
     84      -6.9388      1.00000
     85      -6.8817      1.00000
     86      -6.6803      1.00000
     87      -6.5607      1.00000
     88      -6.4397      1.00000
     89      -6.3909      1.00000
     90      -6.3069      1.00000
     91      -5.8645      1.00000
     92      -5.7919      1.00000
     93      -5.7691      1.00000
     94      -5.6545      1.00000
     95      -5.5956      1.00000
     96      -5.0437      1.00000
     97      -4.6200      1.00000
     98      -4.5250      1.00000
     99      -4.3635      1.00000
    100      -4.2391      1.00000
    101      -4.1833      1.00000
    102      -3.8316      1.00000
    103      -3.8018      1.00000
    104      -3.7305      1.00000
    105      -3.4515      1.00000
    106      -3.4222      1.00000
    107      -1.8102      0.00000
    108      -1.4348      0.00000
    109      -1.3862      0.00000
    110      -1.0266      0.00000
    111      -1.0024      0.00000
    112      -0.9777      0.00000
    113      -0.8563      0.00000
    114      -0.2677      0.00000
    115       0.0431      0.00000
    116       0.0721      0.00000
    117       0.7444      0.00000
    118       0.9100      0.00000
    119       0.9324      0.00000
    120       1.2034      0.00000
    121       1.2655      0.00000
    122       1.3583      0.00000
    123       1.4310      0.00000
    124       1.4733      0.00000
    125       1.5470      0.00000
    126       1.6833      0.00000
    127       1.7585      0.00000
    128       1.9636      0.00000
    129       1.9823      0.00000
    130       2.1672      0.00000
    131       2.1997      0.00000
    132       2.2309      0.00000
    133       2.3361      0.00000
    134       2.3885      0.00000
    135       2.4266      0.00000
    136       2.5320      0.00000
    137       2.7004      0.00000
    138       2.7342      0.00000
    139       2.7864      0.00000
    140       2.8226      0.00000
    141       2.8756      0.00000
    142       3.0449      0.00000
    143       3.1285      0.00000
    144       3.1542      0.00000
    145       3.1705      0.00000
    146       3.2103      0.00000
    147       3.2261      0.00000
    148       3.4205      0.00000
    149       3.4250      0.00000
    150       3.4840      0.00000
    151       3.6020      0.00000
    152       3.6027      0.00000
    153       3.7910      0.00000
    154       3.8591      0.00000
    155       3.9250      0.00000
    156       4.0070      0.00000
    157       4.1346      0.00000
    158       4.1635      0.00000
    159       4.2091      0.00000
    160       4.3166      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8491      1.00000
      2     -21.7861      1.00000
      3     -21.6157      1.00000
      4     -21.0634      1.00000
      5     -20.7018      1.00000
      6     -20.6790      1.00000
      7     -20.1533      1.00000
      8     -20.1275      1.00000
      9     -19.9476      1.00000
     10     -19.9471      1.00000
     11     -19.6081      1.00000
     12     -19.5631      1.00000
     13     -18.5435      1.00000
     14     -18.4867      1.00000
     15     -17.9962      1.00000
     16     -17.9821      1.00000
     17     -17.8148      1.00000
     18     -17.8089      1.00000
     19     -17.4775      1.00000
     20     -17.4636      1.00000
     21     -16.9356      1.00000
     22     -16.9079      1.00000
     23     -16.8223      1.00000
     24     -16.8030      1.00000
     25     -15.7940      1.00000
     26     -15.5337      1.00000
     27     -15.5314      1.00000
     28     -15.5158      1.00000
     29     -14.8927      1.00000
     30     -14.2223      1.00000
     31     -14.2018      1.00000
     32     -13.9381      1.00000
     33     -13.6703      1.00000
     34     -13.6286      1.00000
     35     -13.4970      1.00000
     36     -13.4819      1.00000
     37     -13.2718      1.00000
     38     -13.2448      1.00000
     39     -13.0318      1.00000
     40     -12.3175      1.00000
     41     -11.8405      1.00000
     42     -11.8277      1.00000
     43     -11.7222      1.00000
     44     -11.6873      1.00000
     45     -11.4151      1.00000
     46     -11.3431      1.00000
     47     -11.1765      1.00000
     48     -10.8053      1.00000
     49     -10.7965      1.00000
     50     -10.4575      1.00000
     51     -10.4029      1.00000
     52     -10.0390      1.00000
     53      -9.8792      1.00000
     54      -9.8700      1.00000
     55      -9.8505      1.00000
     56      -9.7021      1.00000
     57      -9.6636      1.00000
     58      -9.6478      1.00000
     59      -9.4955      1.00000
     60      -9.4672      1.00000
     61      -9.4446      1.00000
     62      -9.4330      1.00000
     63      -9.1289      1.00000
     64      -9.0331      1.00000
     65      -8.7669      1.00000
     66      -8.7307      1.00000
     67      -8.6725      1.00000
     68      -8.6309      1.00000
     69      -8.5354      1.00000
     70      -8.3817      1.00000
     71      -8.3733      1.00000
     72      -8.2415      1.00000
     73      -8.2213      1.00000
     74      -8.1342      1.00000
     75      -8.1336      1.00000
     76      -8.0101      1.00000
     77      -7.9743      1.00000
     78      -7.7671      1.00000
     79      -7.7293      1.00000
     80      -7.6252      1.00000
     81      -7.3743      1.00000
     82      -7.2944      1.00000
     83      -7.1856      1.00000
     84      -6.7400      1.00000
     85      -6.6323      1.00000
     86      -6.5627      1.00000
     87      -6.3094      1.00000
     88      -6.2289      1.00000
     89      -6.1656      1.00000
     90      -6.1362      1.00000
     91      -6.0565      1.00000
     92      -5.6746      1.00000
     93      -5.4878      1.00000
     94      -5.4523      1.00000
     95      -5.2992      1.00000
     96      -5.0924      1.00000
     97      -4.9190      1.00000
     98      -4.9105      1.00000
     99      -4.8771      1.00000
    100      -4.4594      1.00000
    101      -4.1495      1.00000
    102      -4.0214      1.00000
    103      -3.9538      1.00000
    104      -3.5842      1.00000
    105      -3.5321      1.00000
    106      -2.9597      1.00000
    107      -2.1046      0.00000
    108      -1.7291      0.00000
    109      -0.8662      0.00000
    110      -0.8643      0.00000
    111      -0.8572      0.00000
    112      -0.8328      0.00000
    113      -0.1873      0.00000
    114      -0.1730      0.00000
    115      -0.0393      0.00000
    116      -0.0167      0.00000
    117       0.2946      0.00000
    118       0.3025      0.00000
    119       0.7497      0.00000
    120       0.8493      0.00000
    121       0.9915      0.00000
    122       1.0312      0.00000
    123       1.2462      0.00000
    124       1.5776      0.00000
    125       1.5792      0.00000
    126       1.6581      0.00000
    127       1.9670      0.00000
    128       2.0230      0.00000
    129       2.0703      0.00000
    130       2.1213      0.00000
    131       2.2983      0.00000
    132       2.3715      0.00000
    133       2.5396      0.00000
    134       2.5553      0.00000
    135       2.6564      0.00000
    136       2.8304      0.00000
    137       2.9333      0.00000
    138       2.9608      0.00000
    139       3.0295      0.00000
    140       3.0530      0.00000
    141       3.1180      0.00000
    142       3.1631      0.00000
    143       3.1966      0.00000
    144       3.2165      0.00000
    145       3.3374      0.00000
    146       3.3923      0.00000
    147       3.4367      0.00000
    148       3.4730      0.00000
    149       3.5055      0.00000
    150       3.5384      0.00000
    151       3.5603      0.00000
    152       3.5754      0.00000
    153       3.6307      0.00000
    154       3.6832      0.00000
    155       3.8054      0.00000
    156       3.9183      0.00000
    157       3.9503      0.00000
    158       4.0454      0.00000
    159       4.1824      0.00000
    160       4.2016      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9324      1.00000
      2     -21.7371      1.00000
      3     -21.3736      1.00000
      4     -21.3440      1.00000
      5     -20.6365      1.00000
      6     -20.5995      1.00000
      7     -20.2664      1.00000
      8     -20.2386      1.00000
      9     -20.2302      1.00000
     10     -19.6942      1.00000
     11     -19.1732      1.00000
     12     -19.1440      1.00000
     13     -18.9775      1.00000
     14     -18.9626      1.00000
     15     -18.1079      1.00000
     16     -18.0728      1.00000
     17     -17.5987      1.00000
     18     -17.5741      1.00000
     19     -17.4240      1.00000
     20     -17.3869      1.00000
     21     -17.1126      1.00000
     22     -17.0903      1.00000
     23     -17.0009      1.00000
     24     -16.1586      1.00000
     25     -16.1232      1.00000
     26     -15.6400      1.00000
     27     -15.0821      1.00000
     28     -15.0638      1.00000
     29     -14.7712      1.00000
     30     -14.7495      1.00000
     31     -14.5123      1.00000
     32     -14.5048      1.00000
     33     -13.9896      1.00000
     34     -13.9206      1.00000
     35     -13.1481      1.00000
     36     -13.0676      1.00000
     37     -12.8570      1.00000
     38     -12.8332      1.00000
     39     -12.6607      1.00000
     40     -12.6388      1.00000
     41     -12.2917      1.00000
     42     -12.2698      1.00000
     43     -11.8830      1.00000
     44     -11.2737      1.00000
     45     -11.2494      1.00000
     46     -11.1804      1.00000
     47     -10.9820      1.00000
     48     -10.9399      1.00000
     49     -10.8093      1.00000
     50     -10.3773      1.00000
     51     -10.3350      1.00000
     52     -10.0936      1.00000
     53      -9.9843      1.00000
     54      -9.9840      1.00000
     55      -9.8555      1.00000
     56      -9.7960      1.00000
     57      -9.7643      1.00000
     58      -9.4802      1.00000
     59      -9.4206      1.00000
     60      -9.3899      1.00000
     61      -9.3752      1.00000
     62      -9.3674      1.00000
     63      -9.3196      1.00000
     64      -9.0356      1.00000
     65      -9.0206      1.00000
     66      -8.9894      1.00000
     67      -8.6545      1.00000
     68      -8.6343      1.00000
     69      -8.5809      1.00000
     70      -8.4576      1.00000
     71      -8.2627      1.00000
     72      -8.1967      1.00000
     73      -8.0968      1.00000
     74      -8.0588      1.00000
     75      -7.9733      1.00000
     76      -7.9672      1.00000
     77      -7.9311      1.00000
     78      -7.9138      1.00000
     79      -7.9019      1.00000
     80      -7.4895      1.00000
     81      -7.2156      1.00000
     82      -7.0235      1.00000
     83      -6.9411      1.00000
     84      -6.8763      1.00000
     85      -6.8230      1.00000
     86      -6.6735      1.00000
     87      -6.6340      1.00000
     88      -6.2878      1.00000
     89      -6.2627      1.00000
     90      -6.1398      1.00000
     91      -5.9481      1.00000
     92      -5.6321      1.00000
     93      -5.5174      1.00000
     94      -5.3927      1.00000
     95      -5.3191      1.00000
     96      -5.0075      1.00000
     97      -4.9735      1.00000
     98      -4.9071      1.00000
     99      -4.8798      1.00000
    100      -4.2450      1.00000
    101      -4.1668      1.00000
    102      -3.9687      1.00000
    103      -3.7926      1.00000
    104      -3.6110      1.00000
    105      -3.5032      1.00000
    106      -3.3596      1.00000
    107      -1.7455      0.00000
    108      -1.5214      0.00000
    109      -1.4828      0.00000
    110      -0.7658      0.00000
    111      -0.7148      0.00000
    112      -0.6996      0.00000
    113      -0.3512      0.00000
    114      -0.3430      0.00000
    115      -0.2936      0.00000
    116      -0.2791      0.00000
    117       0.4670      0.00000
    118       0.5387      0.00000
    119       0.8239      0.00000
    120       1.0686      0.00000
    121       1.1260      0.00000
    122       1.3361      0.00000
    123       1.5374      0.00000
    124       1.5453      0.00000
    125       1.6297      0.00000
    126       1.7285      0.00000
    127       1.8647      0.00000
    128       1.9042      0.00000
    129       1.9420      0.00000
    130       2.0335      0.00000
    131       2.1424      0.00000
    132       2.2716      0.00000
    133       2.3548      0.00000
    134       2.5036      0.00000
    135       2.6186      0.00000
    136       2.6581      0.00000
    137       2.6842      0.00000
    138       2.7639      0.00000
    139       2.9002      0.00000
    140       2.9423      0.00000
    141       3.0344      0.00000
    142       3.2014      0.00000
    143       3.2292      0.00000
    144       3.2586      0.00000
    145       3.3681      0.00000
    146       3.4011      0.00000
    147       3.4755      0.00000
    148       3.5702      0.00000
    149       3.6383      0.00000
    150       3.6413      0.00000
    151       3.6618      0.00000
    152       3.6998      0.00000
    153       3.8261      0.00000
    154       3.8711      0.00000
    155       3.9209      0.00000
    156       3.9217      0.00000
    157       4.0020      0.00000
    158       4.0423      0.00000
    159       4.0863      0.00000
    160       4.0902      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8849   -7.1175    4.1307   -1.3433   -0.2920   17.9349   -0.2868   -0.0279    0.1586   -0.1179
x    -3.2529   -0.0116   -0.0003   -0.0470    0.1022   -3.0479    0.0186   -0.0218    0.0097    0.0027
x    -0.0998    0.0018   -0.0004   -0.0003    0.0005   -0.0235   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8849    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0008    0.0009    0.0036   -0.0997   -0.0413    0.0830    0.0206
y     0.0043   -3.2706   -0.0623    0.2293   -2.4063   -0.6401
z   203.8849    1.5111    0.2849    0.1083    0.0444    0.0804   -0.0027   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0856    0.0044   -0.0014    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4365
z    -0.4223    0.1514    0.0489    0.1381   -0.0842    0.0003
 total charge-density along one line
x   212.0000  -10.0912    6.1819   -2.2003   -0.5434   19.9243   -1.5348    1.0933   -0.6231    0.2971
x    -2.8497    0.0060    0.0200   -0.0537    0.0875   -2.3195    0.0254   -0.0280    0.0131    0.0038
x    -0.0939    0.0073   -0.0047    0.0022   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
x    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
x    -0.0004    0.0000    0.0000    0.0000    0.0001   -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  -10.0912    6.1819   -2.2003   -0.5434   19.9243   -1.5348    1.0933   -0.6231    0.2971
y    -2.8497    0.0060    0.0200   -0.0537    0.0875   -2.3195    0.0254   -0.0280    0.0131    0.0038
y    -0.0939    0.0073   -0.0047    0.0022   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
y    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
y    -0.0004    0.0000    0.0000    0.0000    0.0001   -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 -205.1427  189.0883 -171.5147  155.1496 -138.8707  122.8255 -108.2104   94.3323  -79.5325
z    64.1500  -50.3225   39.4009  -31.0580   24.4942  -19.2591   15.0111  -11.4019    8.3535   -5.9874
z     4.2459   -2.8853    1.7958   -1.0369    0.5719   -0.2211   -0.1036    0.3229   -0.3880    0.3906
z    -0.4243    0.4628   -0.4409    0.3703   -0.3096    0.2761   -0.2459    0.2079   -0.1729    0.1454
z    -0.1196    0.0961   -0.0794    0.0673   -0.0547    0.0432   -0.0367    0.0330   -0.0276    0.0212
z    -0.0175    0.0162   -0.0143    0.0109   -0.0081    0.0069   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0002
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.736   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.050   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.974   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.169   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.736   0.000  -0.013   0.000   0.000   0.170   0.000   0.002
  0.000 -10.927   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.050   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.974   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.736   0.000   0.000  -0.001
  0.170   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.169   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.040   0.000  -0.002   0.091   0.000  -0.024   0.000  -0.007   0.065  -0.013   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.091   0.000   0.000   0.237   0.000  -0.070   0.000   0.000   0.000   0.015   0.000   0.019   0.023
  0.040   0.000   1.720   0.000  -0.020  -0.013   0.000   0.404   0.000   0.006  -0.313   0.024   0.000  -0.024   0.000   0.000
  0.000   0.091   0.000   1.776   0.000   0.000  -0.070   0.000   0.314   0.000   0.000   0.000   0.019   0.000  -0.003  -0.001
 -0.002   0.000  -0.020   0.000   1.950  -0.007   0.000   0.012   0.000   0.080  -0.057   0.006   0.000  -0.007   0.000   0.000
  0.091   0.000  -0.013   0.000  -0.007   0.031   0.000  -0.038   0.000   0.005  -0.066   0.027   0.000   0.026   0.000   0.000
  0.000   0.237   0.000  -0.070   0.000   0.000   0.147   0.000  -0.076   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.404   0.000   0.012  -0.038   0.000   0.671   0.000   0.022   0.517  -0.354   0.000  -0.102   0.000   0.000
  0.000  -0.070   0.000   0.314   0.000   0.000  -0.076   0.000   0.236   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.007   0.000   0.006   0.000   0.080   0.005   0.000   0.022   0.000   0.037   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.065   0.000  -0.313   0.000  -0.057  -0.066   0.000   0.517   0.000   0.043   0.873  -0.390   0.000  -0.153   0.000   0.000
 -0.013   0.000   0.024   0.000   0.006   0.027   0.000  -0.354   0.000  -0.016  -0.390   0.272   0.000   0.080   0.000   0.000
  0.000   0.015   0.000   0.019   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.024   0.000  -0.007   0.026   0.000  -0.102   0.000  -0.015  -0.153   0.080   0.000   0.171   0.000   0.000
  0.000   0.019   0.000  -0.003   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.029   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.024   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.428   0.164   8.206   8.797
  2        0.629   0.031   0.000   0.660
  3        0.545   0.027   0.000   0.572
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.644
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.782   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.786   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.636
 17        0.850   1.758   0.000   2.608
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.647
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.772   0.000   2.636
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.786   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.782   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.644
------------------------------------------------
tot       44.743  89.255   8.206 142.203
 


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


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


    CHARGE:  VPU time  113.91: CPU time   57.58
    FORLOC:  VPU time    1.25: CPU time    1.26
    FORNL :  VPU time  441.37: CPU time  221.49
    STRESS:  VPU time 1326.56: CPU time  668.05
    FORCOR:  VPU time    8.70: CPU time    8.70
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force = 0.1572260E-05[-0.106E-05, 0.421E-05]  d Energy = 0.1647877E-06 0.141E-05
 d Force =-0.7027106E-01[-0.703E-01,-0.703E-01]  d Ewald  =-0.4522301E+00 0.382E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.339164 eV

  energy  without entropy=     -470.339164  energy(sigma->0) =     -470.339164
 

  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    40606.02  40579.02 -47250.97    -23.38      0.00      0.00
  Hartree  40131.79  40119.19 -39360.98    -10.90      0.00      0.00
  E(xc)     -779.87   -779.97   -806.99     -0.09      0.00      0.00
  Local   -83026.16 -82990.46  83940.38     30.92      0.00      0.00
  n-local   -223.86   -221.85   -215.70      0.98      0.00      0.00
  augment     21.43     21.93     18.85      0.43      0.00      0.00
  Kinetic   3172.50   3181.73   3581.08     -0.13      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.37     -0.33     -0.39      0.04      0.00      0.00
  in kB       -0.23     -0.20     -0.24      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
    12.352072280  0.001050120  0.000000000     0.080954103  0.046729765  0.000000000
    -6.175133354 10.697729356  0.000000000    -0.000007947  0.093473194  0.000000000
     0.000000000  0.000000000 19.963295002     0.000000000  0.000000000  0.050091931

  length of vectors
    12.352072325 12.352072107 19.963295002     0.093473192  0.093473194  0.050091931


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.702E-05 -.446E-04 -.104E+04   0.578E-05 -.294E-04 0.104E+04   0.294E-20 -.926E-22 0.322E+01   -.217E-09 -.450E-09 0.361E-02
   -.236E-06 -.792E-05 -.108E+03   -.713E-07 -.948E-06 0.104E+03   0.218E-22 0.180E-22 0.348E+01   0.731E-09 -.310E-09 -.309E-03
   -.144E-06 -.662E-05 -.114E+03   -.711E-07 -.597E-06 0.118E+03   -.260E-22 -.529E-22 -.460E+01   0.696E-09 -.305E-09 -.151E-03
   -.185E+01 0.107E+01 0.219E+02   0.185E+01 -.107E+01 -.219E+02   -.631E-02 0.364E-02 0.185E-01   -.320E-03 0.182E-03 -.359E-03
   0.564E+01 0.661E+01 0.248E+02   -.564E+01 -.663E+01 -.248E+02   -.565E-02 0.237E-01 -.268E-02   0.249E-04 -.254E-03 -.214E-03
   0.109E+02 0.542E+01 0.207E+02   -.109E+02 -.544E+01 -.207E+02   0.791E-02 0.154E-01 -.527E-01   0.195E-04 0.589E-04 -.286E-05
   0.435E+01 -.117E+01 0.189E+02   -.436E+01 0.118E+01 -.189E+02   0.186E-01 -.225E-01 0.283E-01   0.817E-05 -.137E-03 -.679E-04
   -.271E+01 -.255E+01 0.176E+02   0.272E+01 0.256E+01 -.176E+02   -.970E-02 -.136E-01 0.255E-01   -.914E-04 -.944E-04 -.255E-03
   0.850E+00 0.362E+01 0.176E+02   -.857E+00 -.364E+01 -.176E+02   0.693E-02 0.152E-01 0.255E-01   0.308E-04 0.120E-03 -.259E-03
   0.302E+01 0.181E+02 0.285E+02   -.303E+01 -.181E+02 -.285E+02   0.798E-02 0.485E-01 0.341E-01   -.971E-04 -.556E-04 0.118E-03
   0.208E+02 0.234E+02 0.400E+02   -.209E+02 -.236E+02 -.399E+02   0.456E-01 0.194E+00 -.102E+00   -.101E-03 -.223E-03 0.306E-03
   0.269E+02 -.519E+01 0.255E+02   -.271E+02 0.530E+01 -.256E+02   0.201E+00 -.103E+00 0.585E-01   -.161E-03 0.335E-04 0.216E-03
   0.938E+01 -.542E+01 0.164E+02   -.938E+01 0.541E+01 -.165E+02   -.116E-01 0.671E-02 0.378E-01   -.125E-03 0.659E-04 -.195E-03
   0.318E+01 -.318E+01 0.189E+02   -.321E+01 0.318E+01 -.189E+02   0.288E-01 -.484E-02 0.283E-01   0.121E-03 0.574E-04 -.783E-04
   -.598E+01 0.130E+02 0.219E+02   0.598E+01 -.130E+02 -.220E+02   0.123E-01 0.499E-01 0.279E-01   -.431E-04 0.772E-04 0.104E-03
   -.125E+02 0.346E+02 0.384E+02   0.125E+02 -.351E+02 -.389E+02   0.136E-01 0.502E+00 0.526E+00   0.202E-03 -.478E-03 0.940E-04
   0.335E+02 -.193E+02 0.479E+02   -.347E+02 0.200E+02 -.506E+02   0.122E+01 -.705E+00 0.263E+01   -.496E-03 0.283E-03 0.951E-04
   0.179E+02 -.207E+02 0.255E+02   -.181E+02 0.208E+02 -.256E+02   0.190E+00 -.123E+00 0.585E-01   -.112E-03 0.115E-03 0.210E-03
   0.739E+00 -.121E+02 0.207E+02   -.727E+00 0.121E+02 -.207E+02   -.936E-02 -.145E-01 -.527E-01   -.383E-04 -.475E-04 -.963E-05
   -.388E+01 0.130E+01 0.160E+02   0.389E+01 -.130E+01 -.160E+02   -.929E-02 0.788E-02 -.403E-01   0.144E-04 -.102E-03 -.246E-03
   -.177E+02 0.102E+02 0.191E+02   0.177E+02 -.102E+02 -.189E+02   -.378E-01 0.218E-01 -.150E+00   -.347E-03 0.204E-03 0.240E-03
   -.362E+02 -.649E+01 0.384E+02   0.367E+02 0.676E+01 -.389E+02   -.428E+00 -.263E+00 0.526E+00   0.519E-03 0.631E-04 0.980E-04
   -.987E+01 -.298E+02 0.400E+02   0.100E+02 0.299E+02 -.399E+02   -.145E+00 -.137E+00 -.102E+00   0.146E-03 0.195E-03 0.303E-03
   -.291E+01 -.819E+01 0.248E+02   0.292E+01 0.820E+01 -.248E+02   -.234E-01 -.697E-02 -.268E-02   0.234E-03 0.104E-03 -.215E-03
   0.101E+01 -.584E+00 0.179E+02   -.101E+01 0.583E+00 -.178E+02   -.468E-02 0.270E-02 -.300E-01   0.126E-03 -.709E-04 -.347E-03
   -.307E+01 0.271E+01 0.160E+02   0.308E+01 -.272E+01 -.160E+02   -.115E-01 0.411E-02 -.403E-01   0.972E-04 0.428E-04 -.240E-03
   -.142E+02 -.131E+01 0.219E+02   0.143E+02 0.134E+01 -.220E+02   -.371E-01 -.356E-01 0.279E-01   -.867E-04 -.280E-05 0.114E-03
   -.141E+02 -.116E+02 0.285E+02   0.142E+02 0.117E+02 -.285E+02   -.380E-01 -.312E-01 0.341E-01   0.127E-05 0.107E-03 0.122E-03
   0.291E+01 0.819E+01 0.248E+02   -.292E+01 -.820E+01 -.248E+02   0.234E-01 0.697E-02 -.268E-02   -.234E-03 -.104E-03 -.215E-03
   0.141E+02 0.116E+02 0.285E+02   -.142E+02 -.117E+02 -.285E+02   0.380E-01 0.312E-01 0.341E-01   -.126E-05 -.107E-03 0.122E-03
   0.142E+02 0.131E+01 0.219E+02   -.143E+02 -.134E+01 -.220E+02   0.371E-01 0.356E-01 0.279E-01   0.867E-04 0.280E-05 0.114E-03
   0.307E+01 -.271E+01 0.160E+02   -.308E+01 0.272E+01 -.160E+02   0.115E-01 -.411E-02 -.403E-01   -.972E-04 -.428E-04 -.240E-03
   -.101E+01 0.584E+00 0.179E+02   0.101E+01 -.583E+00 -.178E+02   0.468E-02 -.270E-02 -.300E-01   -.126E-03 0.709E-04 -.347E-03
   -.739E+00 0.121E+02 0.207E+02   0.727E+00 -.121E+02 -.207E+02   0.936E-02 0.145E-01 -.527E-01   0.383E-04 0.475E-04 -.963E-05
   0.987E+01 0.298E+02 0.400E+02   -.100E+02 -.299E+02 -.399E+02   0.145E+00 0.137E+00 -.102E+00   -.146E-03 -.195E-03 0.303E-03
   0.362E+02 0.649E+01 0.384E+02   -.367E+02 -.676E+01 -.389E+02   0.428E+00 0.263E+00 0.526E+00   -.519E-03 -.631E-04 0.981E-04
   0.177E+02 -.102E+02 0.191E+02   -.177E+02 0.102E+02 -.189E+02   0.378E-01 -.218E-01 -.150E+00   0.347E-03 -.204E-03 0.240E-03
   0.388E+01 -.130E+01 0.160E+02   -.389E+01 0.130E+01 -.160E+02   0.929E-02 -.788E-02 -.403E-01   -.144E-04 0.102E-03 -.246E-03
   -.318E+01 0.318E+01 0.189E+02   0.321E+01 -.318E+01 -.189E+02   -.288E-01 0.484E-02 0.283E-01   -.121E-03 -.574E-04 -.783E-04
   -.179E+02 0.207E+02 0.255E+02   0.181E+02 -.208E+02 -.256E+02   -.190E+00 0.123E+00 0.585E-01   0.112E-03 -.115E-03 0.210E-03
   -.335E+02 0.193E+02 0.479E+02   0.347E+02 -.200E+02 -.506E+02   -.122E+01 0.705E+00 0.263E+01   0.496E-03 -.283E-03 0.951E-04
   0.125E+02 -.346E+02 0.384E+02   -.125E+02 0.351E+02 -.389E+02   -.136E-01 -.502E+00 0.526E+00   -.202E-03 0.478E-03 0.940E-04
   0.598E+01 -.130E+02 0.219E+02   -.598E+01 0.130E+02 -.220E+02   -.123E-01 -.499E-01 0.279E-01   0.431E-04 -.772E-04 0.104E-03
   -.850E+00 -.362E+01 0.176E+02   0.857E+00 0.364E+01 -.176E+02   -.693E-02 -.152E-01 0.255E-01   -.308E-04 -.120E-03 -.259E-03
   -.938E+01 0.542E+01 0.164E+02   0.938E+01 -.541E+01 -.165E+02   0.116E-01 -.671E-02 0.378E-01   0.125E-03 -.659E-04 -.195E-03
   -.269E+02 0.519E+01 0.255E+02   0.271E+02 -.530E+01 -.256E+02   -.201E+00 0.103E+00 0.585E-01   0.161E-03 -.335E-04 0.216E-03
   -.208E+02 -.234E+02 0.400E+02   0.209E+02 0.236E+02 -.399E+02   -.456E-01 -.194E+00 -.102E+00   0.101E-03 0.223E-03 0.306E-03
   -.302E+01 -.181E+02 0.285E+02   0.303E+01 0.181E+02 -.285E+02   -.798E-02 -.485E-01 0.341E-01   0.971E-04 0.556E-04 0.118E-03
   0.185E+01 -.107E+01 0.219E+02   -.185E+01 0.107E+01 -.219E+02   0.631E-02 -.364E-02 0.185E-01   0.320E-03 -.182E-03 -.359E-03
   0.271E+01 0.255E+01 0.176E+02   -.272E+01 -.256E+01 -.176E+02   0.970E-02 0.136E-01 0.255E-01   0.914E-04 0.944E-04 -.255E-03
   -.435E+01 0.117E+01 0.189E+02   0.436E+01 -.118E+01 -.189E+02   -.186E-01 0.225E-01 0.283E-01   -.817E-05 0.137E-03 -.679E-04
   -.109E+02 -.542E+01 0.207E+02   0.109E+02 0.544E+01 -.207E+02   -.791E-02 -.154E-01 -.527E-01   -.195E-04 -.589E-04 -.286E-05
   -.564E+01 -.661E+01 0.248E+02   0.564E+01 0.663E+01 -.248E+02   0.565E-02 -.237E-01 -.268E-02   -.249E-04 0.254E-03 -.214E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.295E-03 -.912E+01   -.977E-14 -.135E-12 0.171E-12   0.625E-15 0.971E-16 0.912E+01   -.622E-08 0.488E-08 0.221E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85332      6.06250     12.23092         0.000000      0.000000      0.010439
      1.85332      6.06250     14.01172         0.000000      0.000000     -0.007490
      1.85332      6.06250     14.78170         0.000000      0.000000     -0.011373
      0.00071     -0.00041      9.91646        -0.004428      0.002556     -0.003478
     11.11644      2.13944      9.92004        -0.006783      0.007670     -0.003540
      9.87967      4.27974      9.94476         0.004064     -0.000623     -0.000496
      8.64585      6.41976      9.94466         0.004919     -0.004622     -0.000708
     -4.93794      8.55829      9.93529         0.000417     -0.000051     -0.003302
     -3.70372     10.69601      9.93529         0.000253     -0.000336     -0.003302
      1.23538      2.13745      9.94334        -0.004677     -0.007077     -0.001394
     -0.00508      4.27709      9.99731         0.000667      0.006568      0.006654
     -1.24120      6.41695     10.00664        -0.002573      0.006174      0.005526
     -2.46766      8.55722      9.95939        -0.005819      0.003359     -0.005407
      4.94019      0.00137      9.94466         0.006463     -0.001949     -0.000708
      3.70629      2.13533      9.95870         0.004780     -0.002649      0.002773
      2.47319      4.25683     10.07649        -0.010760      0.001932      0.008868
      1.22015      6.42806     10.22457        -0.004782      0.002761     -0.003589
     -0.00090      8.56522     10.00664        -0.006633     -0.000859      0.005526
      7.41042      0.00286      9.94476         0.002571     -0.003208     -0.000496
      6.17561      2.14014      9.94629         0.002045      0.003530     -0.002848
      4.94303      4.27866      9.99675        -0.007696      0.004443     -0.001907
      3.72702      6.42852     10.07649        -0.007054      0.008352      0.008868
      2.47033      8.56464      9.99731        -0.005354     -0.003862      0.006654
      9.88235      0.00194      9.92004        -0.010034      0.002039     -0.003540
      8.64565      2.14095      9.92734        -0.002560      0.001478     -0.004472
      7.41133      4.28047      9.94629        -0.002035     -0.003536     -0.002848
      6.18083      6.42137      9.95870         0.004684     -0.002815      0.002773
      4.94355      8.56018      9.94334         0.003790      0.007589     -0.001394
     -0.00057      1.42533      9.92004         0.010034     -0.002039     -0.003540
     -1.23690      3.56482      9.94334        -0.003790     -0.007589     -0.001394
     -2.47419      5.70364      9.95870        -0.004684      0.002815      0.002773
     -3.70469      7.84453      9.94629         0.002035      0.003536     -0.002848
     -4.93901      9.98405      9.92734         0.002560     -0.001478     -0.004472
      2.47136      1.42441      9.94476        -0.002571      0.003208     -0.000496
      1.23631      3.56037      9.99731         0.005354      0.003862      0.006654
     -0.02037      5.69649     10.07649         0.007054     -0.008352      0.008868
     -1.23639      7.84635      9.99675         0.007696     -0.004443     -0.001907
     -2.46897      9.98486      9.94629        -0.002045     -0.003530     -0.002848
      4.94159      1.42590      9.94466        -0.006463      0.001949     -0.000708
      3.70755      3.55979     10.00664         0.006633      0.000859      0.005526
      2.48649      5.69694     10.22457         0.004782     -0.002761     -0.003589
      1.23345      7.86818     10.07649         0.010760     -0.001932      0.008868
      0.00035      9.98967      9.95870        -0.004780      0.002649      0.002773
      7.41037      1.42899      9.93529        -0.000253      0.000336     -0.003302
      6.17430      3.56779      9.95939         0.005819     -0.003359     -0.005407
      4.94785      5.70806     10.00664         0.002573     -0.006174      0.005526
      3.71173      7.84792      9.99731        -0.000667     -0.006568      0.006654
      2.47126      9.98755      9.94334         0.004677      0.007077     -0.001394
      9.88107      1.42768      9.91646         0.004428     -0.002556     -0.003478
      8.64458      3.56672      9.93529        -0.000417      0.000051     -0.003302
      7.41287      5.70629      9.94466        -0.004919      0.004622     -0.000708
      6.17904      7.84631      9.94476        -0.004064      0.000623     -0.000496
      4.94228      9.98661      9.92004         0.006783     -0.007670     -0.003540
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000295     -0.002001


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




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


    WAVPRE:  VPU time    1.97: CPU time    1.96
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  183.24: CPU time   91.77
     LOOP+:  VPU time 4899.45: CPU time 2506.35


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


    POTLOK:  VPU time    9.27: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1814.05: CPU time  940.36
 BZINTS: Fermi energy: -2.844484;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.06: CPU time   57.63
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1937.88: CPU time 1007.61

 eigenvalue-minimisations  :  6032
 total energy-change (2. order) :-0.4703392E+03  (-0.3509424E-03)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     8.1153418 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.11279E-02    rms(broyden)= 0.11269E-02
  rms(prec ) = 0.12498E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33932.24790806
  -1/2 Hartree   DENC   =    -40888.36880604
  -V(xc)+E(xc)   XCENC  =       726.67773319
  PAW double counting   =      4080.21196072    -4116.86944350
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.67840804
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33920201 eV

  energy without entropy =     -470.33920201  energy(sigma->0) =     -470.33920201


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




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


    POTLOK:  VPU time    8.43: CPU time    8.43
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1394.43: CPU time  717.49
 BZINTS: Fermi energy: -2.844809;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1403.25: CPU time  726.29

 eigenvalue-minimisations  :  4080
 total energy-change (2. order) : 0.1072556E-05  (-0.4853797E-05)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     8.1153418 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     33932.24790806
  -1/2 Hartree   DENC   =    -40888.31480425
  -V(xc)+E(xc)   XCENC  =       726.67624742
  PAW double counting   =      4080.17008692    -4116.82646071
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2409.73203197
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.33920094 eV

  energy without entropy =     -470.33920094  energy(sigma->0) =     -470.33920094


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




 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 -57.8065       2 -41.9959       3 -42.1072       4 -57.9933       5 -57.9897
       6 -57.9911       7 -57.9907       8 -57.9914       9 -57.9914      10 -57.9973
      11 -58.0259      12 -58.0079      13 -58.0002      14 -57.9907      15 -57.9977
      16 -58.1530      17 -58.5630      18 -58.0079      19 -57.9911      20 -57.9929
      21 -58.0084      22 -58.1530      23 -58.0260      24 -57.9898      25 -57.9858
      26 -57.9929      27 -57.9977      28 -57.9974      29 -57.9896      30 -57.9972
      31 -57.9976      32 -57.9929      33 -57.9857      34 -57.9910      35 -58.0258
      36 -58.1529      37 -58.0084      38 -57.9929      39 -57.9906      40 -58.0078
      41 -58.5630      42 -58.1530      43 -57.9976      44 -57.9913      45 -58.0001
      46 -58.0078      47 -58.0259      48 -57.9973      49 -57.9932      50 -57.9913
      51 -57.9906      52 -57.9910      53 -57.9897
 
 
 
 E-fermi :  -2.8448     XC(G=0):  -2.3537     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     -22.0784      1.00000
      2     -21.2448      1.00000
      3     -21.1345      1.00000
      4     -21.1230      1.00000
      5     -21.1155      1.00000
      6     -21.0987      1.00000
      7     -21.0966      1.00000
      8     -19.3810      1.00000
      9     -19.3009      1.00000
     10     -19.2938      1.00000
     11     -19.2880      1.00000
     12     -19.2684      1.00000
     13     -19.2656      1.00000
     14     -18.4720      1.00000
     15     -18.4112      1.00000
     16     -18.4058      1.00000
     17     -18.3813      1.00000
     18     -18.3756      1.00000
     19     -18.3684      1.00000
     20     -16.3378      1.00000
     21     -16.2564      1.00000
     22     -16.2549      1.00000
     23     -16.2448      1.00000
     24     -16.2273      1.00000
     25     -16.2267      1.00000
     26     -15.3089      1.00000
     27     -15.2651      1.00000
     28     -15.2397      1.00000
     29     -15.2301      1.00000
     30     -15.2242      1.00000
     31     -15.2154      1.00000
     32     -13.9622      1.00000
     33     -13.9240      1.00000
     34     -13.9014      1.00000
     35     -13.8949      1.00000
     36     -13.8891      1.00000
     37     -13.8756      1.00000
     38     -11.7464      1.00000
     39     -11.5652      1.00000
     40     -11.5298      1.00000
     41     -11.5241      1.00000
     42     -11.5203      1.00000
     43     -11.5195      1.00000
     44     -11.4375      1.00000
     45     -11.4332      1.00000
     46     -11.4098      1.00000
     47     -11.3903      1.00000
     48     -11.3894      1.00000
     49     -11.3884      1.00000
     50     -11.1376      1.00000
     51     -10.2571      1.00000
     52     -10.0689      1.00000
     53     -10.0605      1.00000
     54     -10.0398      1.00000
     55     -10.0398      1.00000
     56     -10.0220      1.00000
     57      -9.9984      1.00000
     58      -9.4112      1.00000
     59      -9.1377      1.00000
     60      -9.0956      1.00000
     61      -9.0536      1.00000
     62      -9.0379      1.00000
     63      -9.0341      1.00000
     64      -8.8480      1.00000
     65      -8.7837      1.00000
     66      -8.7827      1.00000
     67      -8.7689      1.00000
     68      -8.7579      1.00000
     69      -8.7371      1.00000
     70      -8.7337      1.00000
     71      -8.7304      1.00000
     72      -8.7302      1.00000
     73      -8.7084      1.00000
     74      -8.6914      1.00000
     75      -8.6908      1.00000
     76      -7.3965      1.00000
     77      -7.2341      1.00000
     78      -7.1818      1.00000
     79      -7.1534      1.00000
     80      -7.1060      1.00000
     81      -7.1041      1.00000
     82      -7.0849      1.00000
     83      -7.0779      1.00000
     84      -6.9409      1.00000
     85      -6.9288      1.00000
     86      -6.9229      1.00000
     87      -6.9143      1.00000
     88      -6.3276      1.00000
     89      -6.2893      1.00000
     90      -6.0987      1.00000
     91      -6.0695      1.00000
     92      -6.0304      1.00000
     93      -6.0295      1.00000
     94      -5.6488      1.00000
     95      -5.6141      1.00000
     96      -4.9831      1.00000
     97      -4.6191      1.00000
     98      -4.2666      1.00000
     99      -4.2535      1.00000
    100      -4.0684      1.00000
    101      -4.0646      1.00000
    102      -4.0183      1.00000
    103      -3.8758      1.00000
    104      -3.5669      1.00000
    105      -3.4661      1.00000
    106      -3.4277      1.00000
    107      -1.8980      0.00000
    108      -1.2879      0.00000
    109      -1.2633      0.00000
    110      -1.2608      0.00000
    111      -1.2522      0.00000
    112      -1.2166      0.00000
    113      -1.0466      0.00000
    114       0.3642      0.00000
    115       0.4568      0.00000
    116       0.5338      0.00000
    117       0.5726      0.00000
    118       0.5865      0.00000
    119       0.5872      0.00000
    120       0.7621      0.00000
    121       1.2515      0.00000
    122       1.3230      0.00000
    123       1.3378      0.00000
    124       1.6488      0.00000
    125       1.9332      0.00000
    126       1.9372      0.00000
    127       1.9543      0.00000
    128       2.0195      0.00000
    129       2.1729      0.00000
    130       2.2904      0.00000
    131       2.2943      0.00000
    132       2.2956      0.00000
    133       2.2997      0.00000
    134       2.3049      0.00000
    135       2.3475      0.00000
    136       2.4126      0.00000
    137       2.5228      0.00000
    138       2.6743      0.00000
    139       2.6766      0.00000
    140       2.7261      0.00000
    141       2.7605      0.00000
    142       2.8335      0.00000
    143       2.8590      0.00000
    144       2.9900      0.00000
    145       2.9935      0.00000
    146       3.0084      0.00000
    147       3.0087      0.00000
    148       3.2755      0.00000
    149       3.4724      0.00000
    150       3.6023      0.00000
    151       3.7433      0.00000
    152       3.7591      0.00000
    153       3.9249      0.00000
    154       3.9277      0.00000
    155       3.9522      0.00000
    156       3.9862      0.00000
    157       4.1824      0.00000
    158       4.1878      0.00000
    159       4.3266      0.00000
    160       4.3277      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0415      1.00000
      2     -21.4821      1.00000
      3     -21.2998      1.00000
      4     -21.2670      1.00000
      5     -20.9310      1.00000
      6     -20.8934      1.00000
      7     -20.7192      1.00000
      8     -19.8285      1.00000
      9     -19.7885      1.00000
     10     -19.2788      1.00000
     11     -19.2486      1.00000
     12     -19.0815      1.00000
     13     -18.7581      1.00000
     14     -18.7211      1.00000
     15     -18.7102      1.00000
     16     -18.6979      1.00000
     17     -18.0327      1.00000
     18     -18.0078      1.00000
     19     -17.6859      1.00000
     20     -16.7472      1.00000
     21     -16.6918      1.00000
     22     -16.6188      1.00000
     23     -16.6027      1.00000
     24     -16.1436      1.00000
     25     -16.1223      1.00000
     26     -15.2931      1.00000
     27     -15.2645      1.00000
     28     -14.9396      1.00000
     29     -14.9005      1.00000
     30     -14.8429      1.00000
     31     -14.7632      1.00000
     32     -14.7348      1.00000
     33     -14.3741      1.00000
     34     -14.3569      1.00000
     35     -13.4113      1.00000
     36     -13.3866      1.00000
     37     -12.9086      1.00000
     38     -12.3071      1.00000
     39     -12.2519      1.00000
     40     -12.1266      1.00000
     41     -12.1081      1.00000
     42     -11.8254      1.00000
     43     -11.7742      1.00000
     44     -11.4402      1.00000
     45     -11.3488      1.00000
     46     -11.2046      1.00000
     47     -10.9018      1.00000
     48     -10.8897      1.00000
     49     -10.6868      1.00000
     50     -10.6723      1.00000
     51     -10.5933      1.00000
     52     -10.5684      1.00000
     53     -10.1909      1.00000
     54      -9.8284      1.00000
     55      -9.8181      1.00000
     56      -9.7726      1.00000
     57      -9.5757      1.00000
     58      -9.3998      1.00000
     59      -9.3716      1.00000
     60      -9.3094      1.00000
     61      -9.2830      1.00000
     62      -9.2478      1.00000
     63      -9.2033      1.00000
     64      -8.9852      1.00000
     65      -8.9747      1.00000
     66      -8.9259      1.00000
     67      -8.8820      1.00000
     68      -8.8174      1.00000
     69      -8.7826      1.00000
     70      -8.7729      1.00000
     71      -8.6100      1.00000
     72      -8.5441      1.00000
     73      -8.2957      1.00000
     74      -8.2683      1.00000
     75      -7.7835      1.00000
     76      -7.7202      1.00000
     77      -7.5658      1.00000
     78      -7.5344      1.00000
     79      -7.4327      1.00000
     80      -7.4301      1.00000
     81      -7.0723      1.00000
     82      -7.0470      1.00000
     83      -7.0205      1.00000
     84      -6.9827      1.00000
     85      -6.7928      1.00000
     86      -6.6954      1.00000
     87      -6.5519      1.00000
     88      -6.4652      1.00000
     89      -6.3661      1.00000
     90      -6.3047      1.00000
     91      -5.8399      1.00000
     92      -5.8118      1.00000
     93      -5.8014      1.00000
     94      -5.6894      1.00000
     95      -5.4781      1.00000
     96      -5.0473      1.00000
     97      -4.7413      1.00000
     98      -4.4587      1.00000
     99      -4.3723      1.00000
    100      -4.2092      1.00000
    101      -4.1651      1.00000
    102      -4.0185      1.00000
    103      -3.8276      1.00000
    104      -3.5236      1.00000
    105      -3.4553      1.00000
    106      -3.4028      1.00000
    107      -1.9176      0.00000
    108      -1.4343      0.00000
    109      -1.3133      0.00000
    110      -1.0118      0.00000
    111      -0.9749      0.00000
    112      -0.9582      0.00000
    113      -0.9109      0.00000
    114      -0.3119      0.00000
    115       0.0588      0.00000
    116       0.1051      0.00000
    117       0.7622      0.00000
    118       0.8739      0.00000
    119       1.0140      0.00000
    120       1.0806      0.00000
    121       1.2841      0.00000
    122       1.3702      0.00000
    123       1.4293      0.00000
    124       1.4951      0.00000
    125       1.5635      0.00000
    126       1.6738      0.00000
    127       1.7607      0.00000
    128       1.9663      0.00000
    129       1.9879      0.00000
    130       2.1198      0.00000
    131       2.2011      0.00000
    132       2.2597      0.00000
    133       2.3409      0.00000
    134       2.3771      0.00000
    135       2.4299      0.00000
    136       2.5290      0.00000
    137       2.7041      0.00000
    138       2.7344      0.00000
    139       2.7781      0.00000
    140       2.8362      0.00000
    141       2.8825      0.00000
    142       3.0564      0.00000
    143       3.1183      0.00000
    144       3.1312      0.00000
    145       3.1616      0.00000
    146       3.1842      0.00000
    147       3.2338      0.00000
    148       3.4243      0.00000
    149       3.4674      0.00000
    150       3.4956      0.00000
    151       3.5998      0.00000
    152       3.6051      0.00000
    153       3.7925      0.00000
    154       3.8551      0.00000
    155       3.9291      0.00000
    156       4.0321      0.00000
    157       4.1348      0.00000
    158       4.1456      0.00000
    159       4.2064      0.00000
    160       4.3028      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9331      1.00000
      2     -21.7342      1.00000
      3     -21.3763      1.00000
      4     -21.3416      1.00000
      5     -20.6377      1.00000
      6     -20.5972      1.00000
      7     -20.2747      1.00000
      8     -20.2348      1.00000
      9     -20.2252      1.00000
     10     -19.6943      1.00000
     11     -19.1750      1.00000
     12     -19.1416      1.00000
     13     -18.9755      1.00000
     14     -18.9566      1.00000
     15     -18.1158      1.00000
     16     -18.0720      1.00000
     17     -17.5994      1.00000
     18     -17.5697      1.00000
     19     -17.4279      1.00000
     20     -17.3877      1.00000
     21     -17.1108      1.00000
     22     -17.0879      1.00000
     23     -17.0105      1.00000
     24     -16.1390      1.00000
     25     -16.1188      1.00000
     26     -15.6245      1.00000
     27     -15.0937      1.00000
     28     -15.0670      1.00000
     29     -14.7758      1.00000
     30     -14.7522      1.00000
     31     -14.5429      1.00000
     32     -14.5101      1.00000
     33     -13.9602      1.00000
     34     -13.9231      1.00000
     35     -13.1174      1.00000
     36     -13.0711      1.00000
     37     -12.8673      1.00000
     38     -12.8381      1.00000
     39     -12.6446      1.00000
     40     -12.6300      1.00000
     41     -12.3086      1.00000
     42     -12.2761      1.00000
     43     -11.8792      1.00000
     44     -11.3712      1.00000
     45     -11.2055      1.00000
     46     -11.1542      1.00000
     47     -10.9593      1.00000
     48     -10.9495      1.00000
     49     -10.8106      1.00000
     50     -10.3488      1.00000
     51     -10.3338      1.00000
     52     -10.0945      1.00000
     53      -9.9894      1.00000
     54      -9.9836      1.00000
     55      -9.8419      1.00000
     56      -9.7866      1.00000
     57      -9.7808      1.00000
     58      -9.4624      1.00000
     59      -9.4454      1.00000
     60      -9.3996      1.00000
     61      -9.3696      1.00000
     62      -9.3538      1.00000
     63      -9.3228      1.00000
     64      -9.0329      1.00000
     65      -9.0204      1.00000
     66      -8.9864      1.00000
     67      -8.7016      1.00000
     68      -8.6342      1.00000
     69      -8.5448      1.00000
     70      -8.4763      1.00000
     71      -8.2732      1.00000
     72      -8.1893      1.00000
     73      -8.0702      1.00000
     74      -8.0555      1.00000
     75      -8.0111      1.00000
     76      -7.9577      1.00000
     77      -7.9331      1.00000
     78      -7.9264      1.00000
     79      -7.9039      1.00000
     80      -7.4689      1.00000
     81      -7.0715      1.00000
     82      -7.0288      1.00000
     83      -7.0180      1.00000
     84      -6.9192      1.00000
     85      -6.8962      1.00000
     86      -6.6626      1.00000
     87      -6.6544      1.00000
     88      -6.3043      1.00000
     89      -6.2420      1.00000
     90      -5.9747      1.00000
     91      -5.9091      1.00000
     92      -5.7339      1.00000
     93      -5.5206      1.00000
     94      -5.3940      1.00000
     95      -5.2321      1.00000
     96      -5.0651      1.00000
     97      -5.0025      1.00000
     98      -4.9017      1.00000
     99      -4.9003      1.00000
    100      -4.3181      1.00000
    101      -4.1601      1.00000
    102      -4.0606      1.00000
    103      -3.7714      1.00000
    104      -3.5589      1.00000
    105      -3.3574      1.00000
    106      -3.3470      1.00000
    107      -1.9417      0.00000
    108      -1.5317      0.00000
    109      -1.3408      0.00000
    110      -0.8297      0.00000
    111      -0.7067      0.00000
    112      -0.6616      0.00000
    113      -0.3476      0.00000
    114      -0.3131      0.00000
    115      -0.3025      0.00000
    116      -0.2828      0.00000
    117       0.4535      0.00000
    118       0.5390      0.00000
    119       0.8240      0.00000
    120       1.0799      0.00000
    121       1.1375      0.00000
    122       1.4174      0.00000
    123       1.5105      0.00000
    124       1.5564      0.00000
    125       1.6070      0.00000
    126       1.7118      0.00000
    127       1.8680      0.00000
    128       1.8919      0.00000
    129       1.9370      0.00000
    130       2.0505      0.00000
    131       2.0985      0.00000
    132       2.1966      0.00000
    133       2.3577      0.00000
    134       2.5203      0.00000
    135       2.6179      0.00000
    136       2.6529      0.00000
    137       2.7029      0.00000
    138       2.7595      0.00000
    139       2.9026      0.00000
    140       2.9716      0.00000
    141       3.0351      0.00000
    142       3.2029      0.00000
    143       3.2312      0.00000
    144       3.2625      0.00000
    145       3.3811      0.00000
    146       3.4138      0.00000
    147       3.4754      0.00000
    148       3.5437      0.00000
    149       3.6229      0.00000
    150       3.6411      0.00000
    151       3.6845      0.00000
    152       3.6953      0.00000
    153       3.8274      0.00000
    154       3.8960      0.00000
    155       3.9229      0.00000
    156       3.9442      0.00000
    157       3.9963      0.00000
    158       4.0252      0.00000
    159       4.0967      0.00000
    160       4.0992      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9684      1.00000
      2     -21.6099      1.00000
      3     -21.5603      1.00000
      4     -21.0361      1.00000
      5     -21.0124      1.00000
      6     -20.4909      1.00000
      7     -20.4427      1.00000
      8     -20.2834      1.00000
      9     -19.7347      1.00000
     10     -19.7328      1.00000
     11     -19.3781      1.00000
     12     -19.3564      1.00000
     13     -18.6571      1.00000
     14     -18.6531      1.00000
     15     -18.3019      1.00000
     16     -18.2909      1.00000
     17     -18.1244      1.00000
     18     -17.3540      1.00000
     19     -17.2923      1.00000
     20     -17.2799      1.00000
     21     -17.2530      1.00000
     22     -16.7868      1.00000
     23     -16.7728      1.00000
     24     -16.6257      1.00000
     25     -15.6622      1.00000
     26     -15.6064      1.00000
     27     -15.2514      1.00000
     28     -15.2414      1.00000
     29     -14.9724      1.00000
     30     -14.5284      1.00000
     31     -14.4986      1.00000
     32     -14.2522      1.00000
     33     -14.2121      1.00000
     34     -13.8380      1.00000
     35     -13.8307      1.00000
     36     -12.8123      1.00000
     37     -12.7577      1.00000
     38     -12.7172      1.00000
     39     -12.6934      1.00000
     40     -12.3876      1.00000
     41     -12.3789      1.00000
     42     -12.0056      1.00000
     43     -11.9792      1.00000
     44     -11.4424      1.00000
     45     -11.3047      1.00000
     46     -11.2433      1.00000
     47     -11.1267      1.00000
     48     -10.6053      1.00000
     49     -10.5901      1.00000
     50     -10.3032      1.00000
     51     -10.2910      1.00000
     52     -10.1708      1.00000
     53     -10.1693      1.00000
     54     -10.1115      1.00000
     55     -10.0994      1.00000
     56     -10.0224      1.00000
     57      -9.7100      1.00000
     58      -9.5812      1.00000
     59      -9.2846      1.00000
     60      -9.2273      1.00000
     61      -9.1504      1.00000
     62      -9.0817      1.00000
     63      -9.0648      1.00000
     64      -9.0451      1.00000
     65      -8.9986      1.00000
     66      -8.9671      1.00000
     67      -8.8610      1.00000
     68      -8.8271      1.00000
     69      -8.7828      1.00000
     70      -8.5347      1.00000
     71      -8.5281      1.00000
     72      -8.3978      1.00000
     73      -8.2793      1.00000
     74      -8.1258      1.00000
     75      -7.8824      1.00000
     76      -7.8443      1.00000
     77      -7.5995      1.00000
     78      -7.5343      1.00000
     79      -7.5033      1.00000
     80      -7.4996      1.00000
     81      -7.3866      1.00000
     82      -7.3755      1.00000
     83      -7.1322      1.00000
     84      -7.0761      1.00000
     85      -6.6045      1.00000
     86      -6.5802      1.00000
     87      -6.4805      1.00000
     88      -6.3521      1.00000
     89      -6.1134      1.00000
     90      -6.0513      1.00000
     91      -5.9783      1.00000
     92      -5.8981      1.00000
     93      -5.7318      1.00000
     94      -5.3402      1.00000
     95      -5.1656      1.00000
     96      -5.1240      1.00000
     97      -5.0548      1.00000
     98      -4.9021      1.00000
     99      -4.4505      1.00000
    100      -4.3961      1.00000
    101      -4.1582      1.00000
    102      -4.0359      1.00000
    103      -3.9385      1.00000
    104      -3.5523      1.00000
    105      -3.4877      1.00000
    106      -3.0581      1.00000
    107      -2.1223      0.00000
    108      -1.6013      0.00000
    109      -0.9392      0.00000
    110      -0.9069      0.00000
    111      -0.8429      0.00000
    112      -0.6364      0.00000
    113      -0.6280      0.00000
    114      -0.4961      0.00000
    115      -0.4839      0.00000
    116       0.4901      0.00000
    117       0.4928      0.00000
    118       0.5885      0.00000
    119       0.7933      0.00000
    120       1.0295      0.00000
    121       1.0847      0.00000
    122       1.2930      0.00000
    123       1.3047      0.00000
    124       1.4781      0.00000
    125       1.6383      0.00000
    126       1.7205      0.00000
    127       1.8314      0.00000
    128       2.0076      0.00000
    129       2.0686      0.00000
    130       2.0921      0.00000
    131       2.1678      0.00000
    132       2.3025      0.00000
    133       2.3430      0.00000
    134       2.4440      0.00000
    135       2.5531      0.00000
    136       2.7482      0.00000
    137       2.8122      0.00000
    138       2.8457      0.00000
    139       2.8845      0.00000
    140       2.9057      0.00000
    141       3.0450      0.00000
    142       3.0509      0.00000
    143       3.1209      0.00000
    144       3.1719      0.00000
    145       3.2693      0.00000
    146       3.3082      0.00000
    147       3.3749      0.00000
    148       3.4849      0.00000
    149       3.5921      0.00000
    150       3.5985      0.00000
    151       3.6863      0.00000
    152       3.6971      0.00000
    153       3.8066      0.00000
    154       3.8958      0.00000
    155       3.9540      0.00000
    156       3.9793      0.00000
    157       4.0021      0.00000
    158       4.0893      0.00000
    159       4.1712      0.00000
    160       4.1722      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8527      1.00000
      2     -21.7797      1.00000
      3     -21.6170      1.00000
      4     -21.0624      1.00000
      5     -20.7110      1.00000
      6     -20.6692      1.00000
      7     -20.1629      1.00000
      8     -20.1164      1.00000
      9     -19.9622      1.00000
     10     -19.9323      1.00000
     11     -19.6141      1.00000
     12     -19.5561      1.00000
     13     -18.5428      1.00000
     14     -18.4790      1.00000
     15     -18.0271      1.00000
     16     -17.9620      1.00000
     17     -17.8237      1.00000
     18     -17.7950      1.00000
     19     -17.4982      1.00000
     20     -17.4473      1.00000
     21     -16.9308      1.00000
     22     -16.9007      1.00000
     23     -16.8379      1.00000
     24     -16.7970      1.00000
     25     -15.7644      1.00000
     26     -15.5633      1.00000
     27     -15.5289      1.00000
     28     -15.4961      1.00000
     29     -14.9154      1.00000
     30     -14.2360      1.00000
     31     -14.1900      1.00000
     32     -13.9597      1.00000
     33     -13.6353      1.00000
     34     -13.6251      1.00000
     35     -13.4978      1.00000
     36     -13.4719      1.00000
     37     -13.2955      1.00000
     38     -13.2344      1.00000
     39     -13.0272      1.00000
     40     -12.2914      1.00000
     41     -11.8993      1.00000
     42     -11.8013      1.00000
     43     -11.7515      1.00000
     44     -11.6873      1.00000
     45     -11.3974      1.00000
     46     -11.3259      1.00000
     47     -11.1866      1.00000
     48     -10.8044      1.00000
     49     -10.7878      1.00000
     50     -10.4576      1.00000
     51     -10.4017      1.00000
     52     -10.0295      1.00000
     53      -9.8917      1.00000
     54      -9.8737      1.00000
     55      -9.8352      1.00000
     56      -9.6895      1.00000
     57      -9.6826      1.00000
     58      -9.6471      1.00000
     59      -9.4824      1.00000
     60      -9.4671      1.00000
     61      -9.4423      1.00000
     62      -9.4304      1.00000
     63      -9.1277      1.00000
     64      -9.0360      1.00000
     65      -8.7648      1.00000
     66      -8.7416      1.00000
     67      -8.7032      1.00000
     68      -8.6012      1.00000
     69      -8.5425      1.00000
     70      -8.3968      1.00000
     71      -8.3692      1.00000
     72      -8.2520      1.00000
     73      -8.2128      1.00000
     74      -8.1586      1.00000
     75      -8.1325      1.00000
     76      -8.0411      1.00000
     77      -7.9100      1.00000
     78      -7.7666      1.00000
     79      -7.7045      1.00000
     80      -7.5841      1.00000
     81      -7.4401      1.00000
     82      -7.2884      1.00000
     83      -7.2095      1.00000
     84      -6.6972      1.00000
     85      -6.6096      1.00000
     86      -6.5561      1.00000
     87      -6.4505      1.00000
     88      -6.2410      1.00000
     89      -6.1652      1.00000
     90      -6.1010      1.00000
     91      -5.9059      1.00000
     92      -5.6734      1.00000
     93      -5.5114      1.00000
     94      -5.4701      1.00000
     95      -5.2743      1.00000
     96      -5.1173      1.00000
     97      -4.9387      1.00000
     98      -4.9055      1.00000
     99      -4.9012      1.00000
    100      -4.4882      1.00000
    101      -4.1585      1.00000
    102      -4.0456      1.00000
    103      -3.9255      1.00000
    104      -3.5702      1.00000
    105      -3.5129      1.00000
    106      -2.8572      1.00000
    107      -2.2498      0.00000
    108      -1.6792      0.00000
    109      -0.9100      0.00000
    110      -0.8646      0.00000
    111      -0.8606      0.00000
    112      -0.7838      0.00000
    113      -0.1993      0.00000
    114      -0.1665      0.00000
    115      -0.0191      0.00000
    116       0.0029      0.00000
    117       0.2433      0.00000
    118       0.3240      0.00000
    119       0.7710      0.00000
    120       0.8585      0.00000
    121       0.9379      0.00000
    122       1.0608      0.00000
    123       1.2855      0.00000
    124       1.5230      0.00000
    125       1.5944      0.00000
    126       1.6816      0.00000
    127       1.9637      0.00000
    128       2.0142      0.00000
    129       2.0660      0.00000
    130       2.1158      0.00000
    131       2.2995      0.00000
    132       2.3727      0.00000
    133       2.4821      0.00000
    134       2.5806      0.00000
    135       2.6743      0.00000
    136       2.7649      0.00000
    137       2.9346      0.00000
    138       2.9887      0.00000
    139       3.0435      0.00000
    140       3.0521      0.00000
    141       3.1491      0.00000
    142       3.1673      0.00000
    143       3.1832      0.00000
    144       3.2223      0.00000
    145       3.3369      0.00000
    146       3.3965      0.00000
    147       3.4528      0.00000
    148       3.4725      0.00000
    149       3.4977      0.00000
    150       3.5356      0.00000
    151       3.5682      0.00000
    152       3.6005      0.00000
    153       3.6353      0.00000
    154       3.6980      0.00000
    155       3.7895      0.00000
    156       3.8994      0.00000
    157       3.9508      0.00000
    158       4.0465      0.00000
    159       4.1914      0.00000
    160       4.2048      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9679      1.00000
      2     -21.6159      1.00000
      3     -21.5543      1.00000
      4     -21.0452      1.00000
      5     -21.0034      1.00000
      6     -20.4962      1.00000
      7     -20.4369      1.00000
      8     -20.2824      1.00000
      9     -19.7558      1.00000
     10     -19.7149      1.00000
     11     -19.3844      1.00000
     12     -19.3476      1.00000
     13     -18.6783      1.00000
     14     -18.6344      1.00000
     15     -18.3209      1.00000
     16     -18.2750      1.00000
     17     -18.1232      1.00000
     18     -17.3422      1.00000
     19     -17.2981      1.00000
     20     -17.2717      1.00000
     21     -17.2453      1.00000
     22     -16.8128      1.00000
     23     -16.7569      1.00000
     24     -16.6403      1.00000
     25     -15.6877      1.00000
     26     -15.5776      1.00000
     27     -15.2729      1.00000
     28     -15.2338      1.00000
     29     -14.9406      1.00000
     30     -14.5593      1.00000
     31     -14.4918      1.00000
     32     -14.2464      1.00000
     33     -14.2047      1.00000
     34     -13.8357      1.00000
     35     -13.8247      1.00000
     36     -12.8641      1.00000
     37     -12.7584      1.00000
     38     -12.6974      1.00000
     39     -12.6832      1.00000
     40     -12.4082      1.00000
     41     -12.3600      1.00000
     42     -12.0066      1.00000
     43     -11.9841      1.00000
     44     -11.3778      1.00000
     45     -11.2923      1.00000
     46     -11.2331      1.00000
     47     -11.1828      1.00000
     48     -10.6048      1.00000
     49     -10.5893      1.00000
     50     -10.3388      1.00000
     51     -10.2647      1.00000
     52     -10.2119      1.00000
     53     -10.1683      1.00000
     54     -10.1268      1.00000
     55     -10.0734      1.00000
     56     -10.0213      1.00000
     57      -9.7119      1.00000
     58      -9.5762      1.00000
     59      -9.2881      1.00000
     60      -9.2227      1.00000
     61      -9.1288      1.00000
     62      -9.0976      1.00000
     63      -9.0738      1.00000
     64      -9.0434      1.00000
     65      -9.0056      1.00000
     66      -8.9529      1.00000
     67      -8.8420      1.00000
     68      -8.7995      1.00000
     69      -8.7803      1.00000
     70      -8.5417      1.00000
     71      -8.5320      1.00000
     72      -8.4106      1.00000
     73      -8.2692      1.00000
     74      -8.1539      1.00000
     75      -7.8749      1.00000
     76      -7.8462      1.00000
     77      -7.6325      1.00000
     78      -7.5398      1.00000
     79      -7.5022      1.00000
     80      -7.4521      1.00000
     81      -7.3944      1.00000
     82      -7.3595      1.00000
     83      -7.1618      1.00000
     84      -7.0490      1.00000
     85      -6.6252      1.00000
     86      -6.5857      1.00000
     87      -6.4935      1.00000
     88      -6.3057      1.00000
     89      -6.0966      1.00000
     90      -6.0428      1.00000
     91      -5.9808      1.00000
     92      -5.8752      1.00000
     93      -5.7949      1.00000
     94      -5.4796      1.00000
     95      -5.2688      1.00000
     96      -5.0623      1.00000
     97      -4.9032      1.00000
     98      -4.7695      1.00000
     99      -4.5147      1.00000
    100      -4.4347      1.00000
    101      -4.1723      1.00000
    102      -4.0036      1.00000
    103      -3.8615      1.00000
    104      -3.5942      1.00000
    105      -3.5192      1.00000
    106      -3.1675      1.00000
    107      -1.9268      0.00000
    108      -1.6935      0.00000
    109      -0.9865      0.00000
    110      -0.8966      0.00000
    111      -0.8729      0.00000
    112      -0.6337      0.00000
    113      -0.5809      0.00000
    114      -0.4927      0.00000
    115      -0.4665      0.00000
    116       0.3750      0.00000
    117       0.5308      0.00000
    118       0.5764      0.00000
    119       0.8155      0.00000
    120       1.0931      0.00000
    121       1.1002      0.00000
    122       1.2249      0.00000
    123       1.3563      0.00000
    124       1.4732      0.00000
    125       1.6033      0.00000
    126       1.7442      0.00000
    127       1.8314      0.00000
    128       1.9957      0.00000
    129       2.0752      0.00000
    130       2.0949      0.00000
    131       2.1584      0.00000
    132       2.3410      0.00000
    133       2.3446      0.00000
    134       2.4558      0.00000
    135       2.5132      0.00000
    136       2.7595      0.00000
    137       2.8087      0.00000
    138       2.8448      0.00000
    139       2.8772      0.00000
    140       2.9155      0.00000
    141       3.0350      0.00000
    142       3.0427      0.00000
    143       3.1230      0.00000
    144       3.1720      0.00000
    145       3.2669      0.00000
    146       3.3175      0.00000
    147       3.3854      0.00000
    148       3.4866      0.00000
    149       3.5788      0.00000
    150       3.6131      0.00000
    151       3.6835      0.00000
    152       3.6995      0.00000
    153       3.8038      0.00000
    154       3.8981      0.00000
    155       3.9301      0.00000
    156       3.9813      0.00000
    157       3.9992      0.00000
    158       4.1030      0.00000
    159       4.1364      0.00000
    160       4.1659      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0413      1.00000
      2     -21.4838      1.00000
      3     -21.2960      1.00000
      4     -21.2687      1.00000
      5     -20.9308      1.00000
      6     -20.8957      1.00000
      7     -20.7172      1.00000
      8     -19.8271      1.00000
      9     -19.7898      1.00000
     10     -19.2804      1.00000
     11     -19.2518      1.00000
     12     -19.0755      1.00000
     13     -18.7654      1.00000
     14     -18.7235      1.00000
     15     -18.7056      1.00000
     16     -18.6952      1.00000
     17     -18.0332      1.00000
     18     -18.0114      1.00000
     19     -17.6780      1.00000
     20     -16.7369      1.00000
     21     -16.6904      1.00000
     22     -16.6231      1.00000
     23     -16.6055      1.00000
     24     -16.1597      1.00000
     25     -16.1275      1.00000
     26     -15.2784      1.00000
     27     -15.2609      1.00000
     28     -14.9058      1.00000
     29     -14.8970      1.00000
     30     -14.8731      1.00000
     31     -14.7787      1.00000
     32     -14.7331      1.00000
     33     -14.3731      1.00000
     34     -14.3549      1.00000
     35     -13.4077      1.00000
     36     -13.3827      1.00000
     37     -12.9128      1.00000
     38     -12.3485      1.00000
     39     -12.2473      1.00000
     40     -12.1263      1.00000
     41     -12.1130      1.00000
     42     -11.7801      1.00000
     43     -11.7634      1.00000
     44     -11.3906      1.00000
     45     -11.3622      1.00000
     46     -11.2640      1.00000
     47     -10.9015      1.00000
     48     -10.8944      1.00000
     49     -10.6755      1.00000
     50     -10.6729      1.00000
     51     -10.5975      1.00000
     52     -10.5566      1.00000
     53     -10.1991      1.00000
     54      -9.8738      1.00000
     55      -9.8197      1.00000
     56      -9.7590      1.00000
     57      -9.5679      1.00000
     58      -9.3676      1.00000
     59      -9.3562      1.00000
     60      -9.3246      1.00000
     61      -9.2984      1.00000
     62      -9.2353      1.00000
     63      -9.1980      1.00000
     64      -8.9932      1.00000
     65      -8.9691      1.00000
     66      -8.9198      1.00000
     67      -8.9071      1.00000
     68      -8.7999      1.00000
     69      -8.7883      1.00000
     70      -8.7775      1.00000
     71      -8.6113      1.00000
     72      -8.5438      1.00000
     73      -8.2715      1.00000
     74      -8.2647      1.00000
     75      -7.8165      1.00000
     76      -7.7243      1.00000
     77      -7.5744      1.00000
     78      -7.5001      1.00000
     79      -7.4594      1.00000
     80      -7.4190      1.00000
     81      -7.1390      1.00000
     82      -6.9896      1.00000
     83      -6.9693      1.00000
     84      -6.9386      1.00000
     85      -6.8811      1.00000
     86      -6.6804      1.00000
     87      -6.5605      1.00000
     88      -6.4393      1.00000
     89      -6.3908      1.00000
     90      -6.3066      1.00000
     91      -5.8639      1.00000
     92      -5.7911      1.00000
     93      -5.7689      1.00000
     94      -5.6547      1.00000
     95      -5.5949      1.00000
     96      -5.0430      1.00000
     97      -4.6194      1.00000
     98      -4.5248      1.00000
     99      -4.3631      1.00000
    100      -4.2381      1.00000
    101      -4.1829      1.00000
    102      -3.8306      1.00000
    103      -3.8012      1.00000
    104      -3.7300      1.00000
    105      -3.4504      1.00000
    106      -3.4214      1.00000
    107      -1.8093      0.00000
    108      -1.4347      0.00000
    109      -1.3862      0.00000
    110      -1.0266      0.00000
    111      -1.0023      0.00000
    112      -0.9774      0.00000
    113      -0.8561      0.00000
    114      -0.2673      0.00000
    115       0.0433      0.00000
    116       0.0720      0.00000
    117       0.7454      0.00000
    118       0.9107      0.00000
    119       0.9325      0.00000
    120       1.2039      0.00000
    121       1.2659      0.00000
    122       1.3598      0.00000
    123       1.4311      0.00000
    124       1.4738      0.00000
    125       1.5477      0.00000
    126       1.6832      0.00000
    127       1.7572      0.00000
    128       1.9649      0.00000
    129       1.9836      0.00000
    130       2.1679      0.00000
    131       2.1997      0.00000
    132       2.2308      0.00000
    133       2.3378      0.00000
    134       2.3897      0.00000
    135       2.4285      0.00000
    136       2.5289      0.00000
    137       2.6976      0.00000
    138       2.7333      0.00000
    139       2.7883      0.00000
    140       2.8257      0.00000
    141       2.8758      0.00000
    142       3.0454      0.00000
    143       3.1284      0.00000
    144       3.1567      0.00000
    145       3.1717      0.00000
    146       3.2091      0.00000
    147       3.2253      0.00000
    148       3.4204      0.00000
    149       3.4257      0.00000
    150       3.4794      0.00000
    151       3.6014      0.00000
    152       3.6015      0.00000
    153       3.7933      0.00000
    154       3.8608      0.00000
    155       3.9262      0.00000
    156       4.0090      0.00000
    157       4.1353      0.00000
    158       4.1656      0.00000
    159       4.2102      0.00000
    160       4.3170      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8489      1.00000
      2     -21.7855      1.00000
      3     -21.6152      1.00000
      4     -21.0630      1.00000
      5     -20.7013      1.00000
      6     -20.6785      1.00000
      7     -20.1529      1.00000
      8     -20.1270      1.00000
      9     -19.9470      1.00000
     10     -19.9466      1.00000
     11     -19.6078      1.00000
     12     -19.5626      1.00000
     13     -18.5433      1.00000
     14     -18.4862      1.00000
     15     -17.9959      1.00000
     16     -17.9814      1.00000
     17     -17.8143      1.00000
     18     -17.8085      1.00000
     19     -17.4772      1.00000
     20     -17.4629      1.00000
     21     -16.9352      1.00000
     22     -16.9076      1.00000
     23     -16.8217      1.00000
     24     -16.8027      1.00000
     25     -15.7933      1.00000
     26     -15.5333      1.00000
     27     -15.5312      1.00000
     28     -15.5156      1.00000
     29     -14.8922      1.00000
     30     -14.2221      1.00000
     31     -14.2016      1.00000
     32     -13.9378      1.00000
     33     -13.6695      1.00000
     34     -13.6280      1.00000
     35     -13.4964      1.00000
     36     -13.4815      1.00000
     37     -13.2717      1.00000
     38     -13.2443      1.00000
     39     -13.0312      1.00000
     40     -12.3169      1.00000
     41     -11.8406      1.00000
     42     -11.8271      1.00000
     43     -11.7222      1.00000
     44     -11.6868      1.00000
     45     -11.4148      1.00000
     46     -11.3423      1.00000
     47     -11.1775      1.00000
     48     -10.8052      1.00000
     49     -10.7965      1.00000
     50     -10.4578      1.00000
     51     -10.4026      1.00000
     52     -10.0389      1.00000
     53      -9.8785      1.00000
     54      -9.8694      1.00000
     55      -9.8500      1.00000
     56      -9.7013      1.00000
     57      -9.6631      1.00000
     58      -9.6475      1.00000
     59      -9.4947      1.00000
     60      -9.4665      1.00000
     61      -9.4443      1.00000
     62      -9.4326      1.00000
     63      -9.1290      1.00000
     64      -9.0329      1.00000
     65      -8.7662      1.00000
     66      -8.7303      1.00000
     67      -8.6723      1.00000
     68      -8.6306      1.00000
     69      -8.5353      1.00000
     70      -8.3810      1.00000
     71      -8.3726      1.00000
     72      -8.2415      1.00000
     73      -8.2213      1.00000
     74      -8.1337      1.00000
     75      -8.1333      1.00000
     76      -8.0099      1.00000
     77      -7.9739      1.00000
     78      -7.7667      1.00000
     79      -7.7288      1.00000
     80      -7.6245      1.00000
     81      -7.3742      1.00000
     82      -7.2941      1.00000
     83      -7.1855      1.00000
     84      -6.7388      1.00000
     85      -6.6317      1.00000
     86      -6.5618      1.00000
     87      -6.3093      1.00000
     88      -6.2291      1.00000
     89      -6.1647      1.00000
     90      -6.1359      1.00000
     91      -6.0562      1.00000
     92      -5.6745      1.00000
     93      -5.4872      1.00000
     94      -5.4521      1.00000
     95      -5.2990      1.00000
     96      -5.0920      1.00000
     97      -4.9187      1.00000
     98      -4.9100      1.00000
     99      -4.8768      1.00000
    100      -4.4591      1.00000
    101      -4.1485      1.00000
    102      -4.0204      1.00000
    103      -3.9530      1.00000
    104      -3.5831      1.00000
    105      -3.5309      1.00000
    106      -2.9592      1.00000
    107      -2.1046      0.00000
    108      -1.7283      0.00000
    109      -0.8664      0.00000
    110      -0.8643      0.00000
    111      -0.8569      0.00000
    112      -0.8325      0.00000
    113      -0.1872      0.00000
    114      -0.1727      0.00000
    115      -0.0391      0.00000
    116      -0.0167      0.00000
    117       0.2952      0.00000
    118       0.3027      0.00000
    119       0.7500      0.00000
    120       0.8495      0.00000
    121       0.9920      0.00000
    122       1.0319      0.00000
    123       1.2470      0.00000
    124       1.5799      0.00000
    125       1.5801      0.00000
    126       1.6596      0.00000
    127       1.9679      0.00000
    128       2.0212      0.00000
    129       2.0723      0.00000
    130       2.1177      0.00000
    131       2.2966      0.00000
    132       2.3718      0.00000
    133       2.5396      0.00000
    134       2.5558      0.00000
    135       2.6572      0.00000
    136       2.8314      0.00000
    137       2.9355      0.00000
    138       2.9616      0.00000
    139       3.0300      0.00000
    140       3.0524      0.00000
    141       3.1175      0.00000
    142       3.1639      0.00000
    143       3.1968      0.00000
    144       3.2172      0.00000
    145       3.3391      0.00000
    146       3.3951      0.00000
    147       3.4381      0.00000
    148       3.4735      0.00000
    149       3.5056      0.00000
    150       3.5373      0.00000
    151       3.5600      0.00000
    152       3.5741      0.00000
    153       3.6315      0.00000
    154       3.6837      0.00000
    155       3.8060      0.00000
    156       3.9202      0.00000
    157       3.9517      0.00000
    158       4.0465      0.00000
    159       4.1838      0.00000
    160       4.2032      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9320      1.00000
      2     -21.7366      1.00000
      3     -21.3732      1.00000
      4     -21.3435      1.00000
      5     -20.6362      1.00000
      6     -20.5989      1.00000
      7     -20.2661      1.00000
      8     -20.2381      1.00000
      9     -20.2296      1.00000
     10     -19.6937      1.00000
     11     -19.1729      1.00000
     12     -19.1436      1.00000
     13     -18.9771      1.00000
     14     -18.9622      1.00000
     15     -18.1075      1.00000
     16     -18.0721      1.00000
     17     -17.5984      1.00000
     18     -17.5737      1.00000
     19     -17.4235      1.00000
     20     -17.3863      1.00000
     21     -17.1122      1.00000
     22     -17.0899      1.00000
     23     -17.0003      1.00000
     24     -16.1584      1.00000
     25     -16.1230      1.00000
     26     -15.6393      1.00000
     27     -15.0818      1.00000
     28     -15.0636      1.00000
     29     -14.7709      1.00000
     30     -14.7492      1.00000
     31     -14.5118      1.00000
     32     -14.5044      1.00000
     33     -13.9889      1.00000
     34     -13.9200      1.00000
     35     -13.1474      1.00000
     36     -13.0670      1.00000
     37     -12.8567      1.00000
     38     -12.8329      1.00000
     39     -12.6601      1.00000
     40     -12.6381      1.00000
     41     -12.2914      1.00000
     42     -12.2695      1.00000
     43     -11.8822      1.00000
     44     -11.2749      1.00000
     45     -11.2495      1.00000
     46     -11.1806      1.00000
     47     -10.9819      1.00000
     48     -10.9398      1.00000
     49     -10.8087      1.00000
     50     -10.3768      1.00000
     51     -10.3349      1.00000
     52     -10.0934      1.00000
     53      -9.9838      1.00000
     54      -9.9833      1.00000
     55      -9.8549      1.00000
     56      -9.7959      1.00000
     57      -9.7642      1.00000
     58      -9.4796      1.00000
     59      -9.4199      1.00000
     60      -9.3895      1.00000
     61      -9.3745      1.00000
     62      -9.3668      1.00000
     63      -9.3192      1.00000
     64      -9.0350      1.00000
     65      -9.0199      1.00000
     66      -8.9896      1.00000
     67      -8.6539      1.00000
     68      -8.6337      1.00000
     69      -8.5808      1.00000
     70      -8.4572      1.00000
     71      -8.2628      1.00000
     72      -8.1963      1.00000
     73      -8.0964      1.00000
     74      -8.0584      1.00000
     75      -7.9728      1.00000
     76      -7.9673      1.00000
     77      -7.9309      1.00000
     78      -7.9135      1.00000
     79      -7.9018      1.00000
     80      -7.4891      1.00000
     81      -7.2145      1.00000
     82      -7.0229      1.00000
     83      -6.9405      1.00000
     84      -6.8758      1.00000
     85      -6.8230      1.00000
     86      -6.6732      1.00000
     87      -6.6339      1.00000
     88      -6.2880      1.00000
     89      -6.2618      1.00000
     90      -6.1388      1.00000
     91      -5.9481      1.00000
     92      -5.6319      1.00000
     93      -5.5170      1.00000
     94      -5.3922      1.00000
     95      -5.3189      1.00000
     96      -5.0072      1.00000
     97      -4.9732      1.00000
     98      -4.9067      1.00000
     99      -4.8795      1.00000
    100      -4.2441      1.00000
    101      -4.1663      1.00000
    102      -3.9678      1.00000
    103      -3.7915      1.00000
    104      -3.6104      1.00000
    105      -3.5022      1.00000
    106      -3.3589      1.00000
    107      -1.7447      0.00000
    108      -1.5213      0.00000
    109      -1.4827      0.00000
    110      -0.7654      0.00000
    111      -0.7148      0.00000
    112      -0.6996      0.00000
    113      -0.3510      0.00000
    114      -0.3430      0.00000
    115      -0.2933      0.00000
    116      -0.2788      0.00000
    117       0.4676      0.00000
    118       0.5389      0.00000
    119       0.8246      0.00000
    120       1.0691      0.00000
    121       1.1267      0.00000
    122       1.3371      0.00000
    123       1.5389      0.00000
    124       1.5454      0.00000
    125       1.6303      0.00000
    126       1.7301      0.00000
    127       1.8655      0.00000
    128       1.9044      0.00000
    129       1.9399      0.00000
    130       2.0349      0.00000
    131       2.1399      0.00000
    132       2.2724      0.00000
    133       2.3553      0.00000
    134       2.5043      0.00000
    135       2.6166      0.00000
    136       2.6583      0.00000
    137       2.6815      0.00000
    138       2.7649      0.00000
    139       2.9018      0.00000
    140       2.9438      0.00000
    141       3.0353      0.00000
    142       3.2025      0.00000
    143       3.2310      0.00000
    144       3.2603      0.00000
    145       3.3693      0.00000
    146       3.4017      0.00000
    147       3.4779      0.00000
    148       3.5708      0.00000
    149       3.6381      0.00000
    150       3.6428      0.00000
    151       3.6617      0.00000
    152       3.6968      0.00000
    153       3.8265      0.00000
    154       3.8727      0.00000
    155       3.9220      0.00000
    156       3.9225      0.00000
    157       4.0028      0.00000
    158       4.0428      0.00000
    159       4.0864      0.00000
    160       4.0912      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0784      1.00000
      2     -21.2448      1.00000
      3     -21.1345      1.00000
      4     -21.1230      1.00000
      5     -21.1155      1.00000
      6     -21.0987      1.00000
      7     -21.0966      1.00000
      8     -19.3810      1.00000
      9     -19.3009      1.00000
     10     -19.2938      1.00000
     11     -19.2880      1.00000
     12     -19.2684      1.00000
     13     -19.2656      1.00000
     14     -18.4720      1.00000
     15     -18.4112      1.00000
     16     -18.4058      1.00000
     17     -18.3813      1.00000
     18     -18.3756      1.00000
     19     -18.3684      1.00000
     20     -16.3378      1.00000
     21     -16.2564      1.00000
     22     -16.2549      1.00000
     23     -16.2448      1.00000
     24     -16.2273      1.00000
     25     -16.2267      1.00000
     26     -15.3089      1.00000
     27     -15.2651      1.00000
     28     -15.2397      1.00000
     29     -15.2301      1.00000
     30     -15.2242      1.00000
     31     -15.2154      1.00000
     32     -13.9622      1.00000
     33     -13.9240      1.00000
     34     -13.9014      1.00000
     35     -13.8949      1.00000
     36     -13.8891      1.00000
     37     -13.8756      1.00000
     38     -11.7464      1.00000
     39     -11.5652      1.00000
     40     -11.5298      1.00000
     41     -11.5241      1.00000
     42     -11.5203      1.00000
     43     -11.5195      1.00000
     44     -11.4375      1.00000
     45     -11.4332      1.00000
     46     -11.4098      1.00000
     47     -11.3903      1.00000
     48     -11.3894      1.00000
     49     -11.3884      1.00000
     50     -11.1376      1.00000
     51     -10.2571      1.00000
     52     -10.0689      1.00000
     53     -10.0605      1.00000
     54     -10.0398      1.00000
     55     -10.0398      1.00000
     56     -10.0220      1.00000
     57      -9.9984      1.00000
     58      -9.4112      1.00000
     59      -9.1377      1.00000
     60      -9.0956      1.00000
     61      -9.0536      1.00000
     62      -9.0379      1.00000
     63      -9.0341      1.00000
     64      -8.8480      1.00000
     65      -8.7837      1.00000
     66      -8.7827      1.00000
     67      -8.7689      1.00000
     68      -8.7579      1.00000
     69      -8.7371      1.00000
     70      -8.7337      1.00000
     71      -8.7304      1.00000
     72      -8.7302      1.00000
     73      -8.7084      1.00000
     74      -8.6914      1.00000
     75      -8.6908      1.00000
     76      -7.3965      1.00000
     77      -7.2341      1.00000
     78      -7.1818      1.00000
     79      -7.1534      1.00000
     80      -7.1060      1.00000
     81      -7.1041      1.00000
     82      -7.0849      1.00000
     83      -7.0779      1.00000
     84      -6.9409      1.00000
     85      -6.9288      1.00000
     86      -6.9229      1.00000
     87      -6.9143      1.00000
     88      -6.3276      1.00000
     89      -6.2893      1.00000
     90      -6.0987      1.00000
     91      -6.0695      1.00000
     92      -6.0304      1.00000
     93      -6.0295      1.00000
     94      -5.6488      1.00000
     95      -5.6141      1.00000
     96      -4.9831      1.00000
     97      -4.6191      1.00000
     98      -4.2666      1.00000
     99      -4.2535      1.00000
    100      -4.0684      1.00000
    101      -4.0646      1.00000
    102      -4.0183      1.00000
    103      -3.8758      1.00000
    104      -3.5669      1.00000
    105      -3.4661      1.00000
    106      -3.4277      1.00000
    107      -1.8980      0.00000
    108      -1.2879      0.00000
    109      -1.2633      0.00000
    110      -1.2608      0.00000
    111      -1.2522      0.00000
    112      -1.2166      0.00000
    113      -1.0466      0.00000
    114       0.3642      0.00000
    115       0.4568      0.00000
    116       0.5338      0.00000
    117       0.5726      0.00000
    118       0.5865      0.00000
    119       0.5872      0.00000
    120       0.7621      0.00000
    121       1.2515      0.00000
    122       1.3230      0.00000
    123       1.3378      0.00000
    124       1.6488      0.00000
    125       1.9332      0.00000
    126       1.9372      0.00000
    127       1.9543      0.00000
    128       2.0195      0.00000
    129       2.1729      0.00000
    130       2.2904      0.00000
    131       2.2943      0.00000
    132       2.2956      0.00000
    133       2.2997      0.00000
    134       2.3049      0.00000
    135       2.3475      0.00000
    136       2.4126      0.00000
    137       2.5228      0.00000
    138       2.6743      0.00000
    139       2.6766      0.00000
    140       2.7261      0.00000
    141       2.7605      0.00000
    142       2.8335      0.00000
    143       2.8590      0.00000
    144       2.9900      0.00000
    145       2.9935      0.00000
    146       3.0084      0.00000
    147       3.0087      0.00000
    148       3.2755      0.00000
    149       3.4724      0.00000
    150       3.6023      0.00000
    151       3.7433      0.00000
    152       3.7592      0.00000
    153       3.9249      0.00000
    154       3.9277      0.00000
    155       3.9522      0.00000
    156       3.9862      0.00000
    157       4.1823      0.00000
    158       4.1878      0.00000
    159       4.3266      0.00000
    160       4.3277      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0415      1.00000
      2     -21.4821      1.00000
      3     -21.2998      1.00000
      4     -21.2670      1.00000
      5     -20.9310      1.00000
      6     -20.8934      1.00000
      7     -20.7192      1.00000
      8     -19.8285      1.00000
      9     -19.7885      1.00000
     10     -19.2788      1.00000
     11     -19.2486      1.00000
     12     -19.0815      1.00000
     13     -18.7581      1.00000
     14     -18.7211      1.00000
     15     -18.7102      1.00000
     16     -18.6979      1.00000
     17     -18.0327      1.00000
     18     -18.0078      1.00000
     19     -17.6859      1.00000
     20     -16.7472      1.00000
     21     -16.6918      1.00000
     22     -16.6188      1.00000
     23     -16.6027      1.00000
     24     -16.1436      1.00000
     25     -16.1223      1.00000
     26     -15.2931      1.00000
     27     -15.2645      1.00000
     28     -14.9396      1.00000
     29     -14.9005      1.00000
     30     -14.8429      1.00000
     31     -14.7632      1.00000
     32     -14.7348      1.00000
     33     -14.3741      1.00000
     34     -14.3569      1.00000
     35     -13.4113      1.00000
     36     -13.3866      1.00000
     37     -12.9086      1.00000
     38     -12.3071      1.00000
     39     -12.2519      1.00000
     40     -12.1266      1.00000
     41     -12.1081      1.00000
     42     -11.8254      1.00000
     43     -11.7742      1.00000
     44     -11.4402      1.00000
     45     -11.3488      1.00000
     46     -11.2046      1.00000
     47     -10.9018      1.00000
     48     -10.8897      1.00000
     49     -10.6868      1.00000
     50     -10.6723      1.00000
     51     -10.5933      1.00000
     52     -10.5684      1.00000
     53     -10.1909      1.00000
     54      -9.8284      1.00000
     55      -9.8181      1.00000
     56      -9.7726      1.00000
     57      -9.5757      1.00000
     58      -9.3998      1.00000
     59      -9.3716      1.00000
     60      -9.3094      1.00000
     61      -9.2830      1.00000
     62      -9.2478      1.00000
     63      -9.2033      1.00000
     64      -8.9852      1.00000
     65      -8.9747      1.00000
     66      -8.9259      1.00000
     67      -8.8820      1.00000
     68      -8.8174      1.00000
     69      -8.7826      1.00000
     70      -8.7729      1.00000
     71      -8.6100      1.00000
     72      -8.5441      1.00000
     73      -8.2957      1.00000
     74      -8.2683      1.00000
     75      -7.7835      1.00000
     76      -7.7202      1.00000
     77      -7.5658      1.00000
     78      -7.5344      1.00000
     79      -7.4327      1.00000
     80      -7.4301      1.00000
     81      -7.0723      1.00000
     82      -7.0470      1.00000
     83      -7.0205      1.00000
     84      -6.9827      1.00000
     85      -6.7928      1.00000
     86      -6.6954      1.00000
     87      -6.5519      1.00000
     88      -6.4652      1.00000
     89      -6.3661      1.00000
     90      -6.3047      1.00000
     91      -5.8399      1.00000
     92      -5.8118      1.00000
     93      -5.8014      1.00000
     94      -5.6894      1.00000
     95      -5.4781      1.00000
     96      -5.0473      1.00000
     97      -4.7413      1.00000
     98      -4.4587      1.00000
     99      -4.3723      1.00000
    100      -4.2092      1.00000
    101      -4.1651      1.00000
    102      -4.0185      1.00000
    103      -3.8276      1.00000
    104      -3.5236      1.00000
    105      -3.4553      1.00000
    106      -3.4028      1.00000
    107      -1.9176      0.00000
    108      -1.4343      0.00000
    109      -1.3133      0.00000
    110      -1.0118      0.00000
    111      -0.9749      0.00000
    112      -0.9582      0.00000
    113      -0.9109      0.00000
    114      -0.3119      0.00000
    115       0.0588      0.00000
    116       0.1051      0.00000
    117       0.7622      0.00000
    118       0.8739      0.00000
    119       1.0140      0.00000
    120       1.0806      0.00000
    121       1.2841      0.00000
    122       1.3702      0.00000
    123       1.4293      0.00000
    124       1.4951      0.00000
    125       1.5635      0.00000
    126       1.6738      0.00000
    127       1.7607      0.00000
    128       1.9663      0.00000
    129       1.9879      0.00000
    130       2.1198      0.00000
    131       2.2011      0.00000
    132       2.2597      0.00000
    133       2.3409      0.00000
    134       2.3771      0.00000
    135       2.4299      0.00000
    136       2.5290      0.00000
    137       2.7041      0.00000
    138       2.7344      0.00000
    139       2.7781      0.00000
    140       2.8362      0.00000
    141       2.8825      0.00000
    142       3.0564      0.00000
    143       3.1183      0.00000
    144       3.1312      0.00000
    145       3.1616      0.00000
    146       3.1842      0.00000
    147       3.2338      0.00000
    148       3.4243      0.00000
    149       3.4674      0.00000
    150       3.4956      0.00000
    151       3.5998      0.00000
    152       3.6051      0.00000
    153       3.7925      0.00000
    154       3.8551      0.00000
    155       3.9291      0.00000
    156       4.0321      0.00000
    157       4.1348      0.00000
    158       4.1456      0.00000
    159       4.2064      0.00000
    160       4.3028      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9331      1.00000
      2     -21.7342      1.00000
      3     -21.3763      1.00000
      4     -21.3416      1.00000
      5     -20.6377      1.00000
      6     -20.5972      1.00000
      7     -20.2747      1.00000
      8     -20.2348      1.00000
      9     -20.2252      1.00000
     10     -19.6943      1.00000
     11     -19.1750      1.00000
     12     -19.1416      1.00000
     13     -18.9755      1.00000
     14     -18.9566      1.00000
     15     -18.1158      1.00000
     16     -18.0720      1.00000
     17     -17.5994      1.00000
     18     -17.5697      1.00000
     19     -17.4279      1.00000
     20     -17.3877      1.00000
     21     -17.1108      1.00000
     22     -17.0879      1.00000
     23     -17.0105      1.00000
     24     -16.1390      1.00000
     25     -16.1188      1.00000
     26     -15.6245      1.00000
     27     -15.0937      1.00000
     28     -15.0670      1.00000
     29     -14.7758      1.00000
     30     -14.7522      1.00000
     31     -14.5429      1.00000
     32     -14.5101      1.00000
     33     -13.9602      1.00000
     34     -13.9231      1.00000
     35     -13.1174      1.00000
     36     -13.0711      1.00000
     37     -12.8673      1.00000
     38     -12.8381      1.00000
     39     -12.6446      1.00000
     40     -12.6300      1.00000
     41     -12.3086      1.00000
     42     -12.2761      1.00000
     43     -11.8792      1.00000
     44     -11.3712      1.00000
     45     -11.2055      1.00000
     46     -11.1542      1.00000
     47     -10.9593      1.00000
     48     -10.9495      1.00000
     49     -10.8106      1.00000
     50     -10.3488      1.00000
     51     -10.3338      1.00000
     52     -10.0945      1.00000
     53      -9.9894      1.00000
     54      -9.9836      1.00000
     55      -9.8419      1.00000
     56      -9.7866      1.00000
     57      -9.7808      1.00000
     58      -9.4624      1.00000
     59      -9.4454      1.00000
     60      -9.3996      1.00000
     61      -9.3696      1.00000
     62      -9.3538      1.00000
     63      -9.3228      1.00000
     64      -9.0329      1.00000
     65      -9.0204      1.00000
     66      -8.9864      1.00000
     67      -8.7016      1.00000
     68      -8.6342      1.00000
     69      -8.5448      1.00000
     70      -8.4763      1.00000
     71      -8.2732      1.00000
     72      -8.1893      1.00000
     73      -8.0702      1.00000
     74      -8.0555      1.00000
     75      -8.0111      1.00000
     76      -7.9577      1.00000
     77      -7.9331      1.00000
     78      -7.9264      1.00000
     79      -7.9039      1.00000
     80      -7.4689      1.00000
     81      -7.0715      1.00000
     82      -7.0288      1.00000
     83      -7.0180      1.00000
     84      -6.9192      1.00000
     85      -6.8962      1.00000
     86      -6.6626      1.00000
     87      -6.6544      1.00000
     88      -6.3043      1.00000
     89      -6.2420      1.00000
     90      -5.9747      1.00000
     91      -5.9091      1.00000
     92      -5.7339      1.00000
     93      -5.5206      1.00000
     94      -5.3940      1.00000
     95      -5.2321      1.00000
     96      -5.0651      1.00000
     97      -5.0025      1.00000
     98      -4.9017      1.00000
     99      -4.9003      1.00000
    100      -4.3181      1.00000
    101      -4.1601      1.00000
    102      -4.0606      1.00000
    103      -3.7714      1.00000
    104      -3.5589      1.00000
    105      -3.3574      1.00000
    106      -3.3470      1.00000
    107      -1.9417      0.00000
    108      -1.5317      0.00000
    109      -1.3408      0.00000
    110      -0.8297      0.00000
    111      -0.7067      0.00000
    112      -0.6616      0.00000
    113      -0.3476      0.00000
    114      -0.3131      0.00000
    115      -0.3025      0.00000
    116      -0.2828      0.00000
    117       0.4535      0.00000
    118       0.5390      0.00000
    119       0.8240      0.00000
    120       1.0799      0.00000
    121       1.1375      0.00000
    122       1.4174      0.00000
    123       1.5105      0.00000
    124       1.5564      0.00000
    125       1.6070      0.00000
    126       1.7118      0.00000
    127       1.8680      0.00000
    128       1.8919      0.00000
    129       1.9370      0.00000
    130       2.0505      0.00000
    131       2.0985      0.00000
    132       2.1966      0.00000
    133       2.3577      0.00000
    134       2.5203      0.00000
    135       2.6179      0.00000
    136       2.6529      0.00000
    137       2.7029      0.00000
    138       2.7595      0.00000
    139       2.9026      0.00000
    140       2.9716      0.00000
    141       3.0351      0.00000
    142       3.2029      0.00000
    143       3.2312      0.00000
    144       3.2625      0.00000
    145       3.3811      0.00000
    146       3.4138      0.00000
    147       3.4754      0.00000
    148       3.5437      0.00000
    149       3.6229      0.00000
    150       3.6411      0.00000
    151       3.6845      0.00000
    152       3.6953      0.00000
    153       3.8274      0.00000
    154       3.8960      0.00000
    155       3.9229      0.00000
    156       3.9442      0.00000
    157       3.9963      0.00000
    158       4.0252      0.00000
    159       4.0967      0.00000
    160       4.0992      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9684      1.00000
      2     -21.6099      1.00000
      3     -21.5603      1.00000
      4     -21.0361      1.00000
      5     -21.0124      1.00000
      6     -20.4909      1.00000
      7     -20.4427      1.00000
      8     -20.2834      1.00000
      9     -19.7347      1.00000
     10     -19.7328      1.00000
     11     -19.3781      1.00000
     12     -19.3564      1.00000
     13     -18.6571      1.00000
     14     -18.6531      1.00000
     15     -18.3019      1.00000
     16     -18.2909      1.00000
     17     -18.1244      1.00000
     18     -17.3540      1.00000
     19     -17.2923      1.00000
     20     -17.2799      1.00000
     21     -17.2530      1.00000
     22     -16.7868      1.00000
     23     -16.7728      1.00000
     24     -16.6257      1.00000
     25     -15.6622      1.00000
     26     -15.6064      1.00000
     27     -15.2514      1.00000
     28     -15.2414      1.00000
     29     -14.9724      1.00000
     30     -14.5284      1.00000
     31     -14.4986      1.00000
     32     -14.2522      1.00000
     33     -14.2121      1.00000
     34     -13.8380      1.00000
     35     -13.8307      1.00000
     36     -12.8123      1.00000
     37     -12.7577      1.00000
     38     -12.7172      1.00000
     39     -12.6934      1.00000
     40     -12.3876      1.00000
     41     -12.3789      1.00000
     42     -12.0056      1.00000
     43     -11.9792      1.00000
     44     -11.4424      1.00000
     45     -11.3047      1.00000
     46     -11.2433      1.00000
     47     -11.1267      1.00000
     48     -10.6053      1.00000
     49     -10.5901      1.00000
     50     -10.3032      1.00000
     51     -10.2910      1.00000
     52     -10.1708      1.00000
     53     -10.1693      1.00000
     54     -10.1115      1.00000
     55     -10.0994      1.00000
     56     -10.0224      1.00000
     57      -9.7100      1.00000
     58      -9.5812      1.00000
     59      -9.2846      1.00000
     60      -9.2273      1.00000
     61      -9.1504      1.00000
     62      -9.0817      1.00000
     63      -9.0648      1.00000
     64      -9.0451      1.00000
     65      -8.9986      1.00000
     66      -8.9671      1.00000
     67      -8.8610      1.00000
     68      -8.8271      1.00000
     69      -8.7828      1.00000
     70      -8.5347      1.00000
     71      -8.5281      1.00000
     72      -8.3978      1.00000
     73      -8.2793      1.00000
     74      -8.1258      1.00000
     75      -7.8824      1.00000
     76      -7.8443      1.00000
     77      -7.5995      1.00000
     78      -7.5343      1.00000
     79      -7.5033      1.00000
     80      -7.4996      1.00000
     81      -7.3866      1.00000
     82      -7.3755      1.00000
     83      -7.1322      1.00000
     84      -7.0761      1.00000
     85      -6.6045      1.00000
     86      -6.5802      1.00000
     87      -6.4805      1.00000
     88      -6.3521      1.00000
     89      -6.1134      1.00000
     90      -6.0513      1.00000
     91      -5.9783      1.00000
     92      -5.8981      1.00000
     93      -5.7318      1.00000
     94      -5.3402      1.00000
     95      -5.1656      1.00000
     96      -5.1240      1.00000
     97      -5.0548      1.00000
     98      -4.9021      1.00000
     99      -4.4505      1.00000
    100      -4.3961      1.00000
    101      -4.1582      1.00000
    102      -4.0359      1.00000
    103      -3.9385      1.00000
    104      -3.5523      1.00000
    105      -3.4877      1.00000
    106      -3.0581      1.00000
    107      -2.1223      0.00000
    108      -1.6013      0.00000
    109      -0.9392      0.00000
    110      -0.9069      0.00000
    111      -0.8429      0.00000
    112      -0.6364      0.00000
    113      -0.6280      0.00000
    114      -0.4961      0.00000
    115      -0.4839      0.00000
    116       0.4901      0.00000
    117       0.4928      0.00000
    118       0.5885      0.00000
    119       0.7933      0.00000
    120       1.0295      0.00000
    121       1.0847      0.00000
    122       1.2930      0.00000
    123       1.3047      0.00000
    124       1.4781      0.00000
    125       1.6383      0.00000
    126       1.7205      0.00000
    127       1.8314      0.00000
    128       2.0076      0.00000
    129       2.0686      0.00000
    130       2.0921      0.00000
    131       2.1678      0.00000
    132       2.3025      0.00000
    133       2.3430      0.00000
    134       2.4440      0.00000
    135       2.5531      0.00000
    136       2.7482      0.00000
    137       2.8122      0.00000
    138       2.8457      0.00000
    139       2.8845      0.00000
    140       2.9057      0.00000
    141       3.0450      0.00000
    142       3.0509      0.00000
    143       3.1209      0.00000
    144       3.1719      0.00000
    145       3.2693      0.00000
    146       3.3082      0.00000
    147       3.3749      0.00000
    148       3.4849      0.00000
    149       3.5921      0.00000
    150       3.5985      0.00000
    151       3.6863      0.00000
    152       3.6971      0.00000
    153       3.8066      0.00000
    154       3.8958      0.00000
    155       3.9540      0.00000
    156       3.9793      0.00000
    157       4.0021      0.00000
    158       4.0893      0.00000
    159       4.1712      0.00000
    160       4.1722      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.8527      1.00000
      2     -21.7797      1.00000
      3     -21.6170      1.00000
      4     -21.0624      1.00000
      5     -20.7110      1.00000
      6     -20.6692      1.00000
      7     -20.1629      1.00000
      8     -20.1164      1.00000
      9     -19.9622      1.00000
     10     -19.9323      1.00000
     11     -19.6141      1.00000
     12     -19.5561      1.00000
     13     -18.5428      1.00000
     14     -18.4790      1.00000
     15     -18.0271      1.00000
     16     -17.9620      1.00000
     17     -17.8237      1.00000
     18     -17.7950      1.00000
     19     -17.4982      1.00000
     20     -17.4473      1.00000
     21     -16.9308      1.00000
     22     -16.9007      1.00000
     23     -16.8379      1.00000
     24     -16.7970      1.00000
     25     -15.7644      1.00000
     26     -15.5633      1.00000
     27     -15.5289      1.00000
     28     -15.4961      1.00000
     29     -14.9154      1.00000
     30     -14.2360      1.00000
     31     -14.1900      1.00000
     32     -13.9597      1.00000
     33     -13.6353      1.00000
     34     -13.6251      1.00000
     35     -13.4978      1.00000
     36     -13.4719      1.00000
     37     -13.2955      1.00000
     38     -13.2344      1.00000
     39     -13.0272      1.00000
     40     -12.2914      1.00000
     41     -11.8993      1.00000
     42     -11.8013      1.00000
     43     -11.7515      1.00000
     44     -11.6873      1.00000
     45     -11.3974      1.00000
     46     -11.3259      1.00000
     47     -11.1866      1.00000
     48     -10.8044      1.00000
     49     -10.7878      1.00000
     50     -10.4576      1.00000
     51     -10.4017      1.00000
     52     -10.0295      1.00000
     53      -9.8917      1.00000
     54      -9.8737      1.00000
     55      -9.8352      1.00000
     56      -9.6895      1.00000
     57      -9.6826      1.00000
     58      -9.6471      1.00000
     59      -9.4824      1.00000
     60      -9.4671      1.00000
     61      -9.4423      1.00000
     62      -9.4304      1.00000
     63      -9.1277      1.00000
     64      -9.0360      1.00000
     65      -8.7648      1.00000
     66      -8.7416      1.00000
     67      -8.7032      1.00000
     68      -8.6012      1.00000
     69      -8.5425      1.00000
     70      -8.3968      1.00000
     71      -8.3692      1.00000
     72      -8.2520      1.00000
     73      -8.2128      1.00000
     74      -8.1586      1.00000
     75      -8.1325      1.00000
     76      -8.0411      1.00000
     77      -7.9100      1.00000
     78      -7.7666      1.00000
     79      -7.7045      1.00000
     80      -7.5841      1.00000
     81      -7.4401      1.00000
     82      -7.2884      1.00000
     83      -7.2095      1.00000
     84      -6.6972      1.00000
     85      -6.6096      1.00000
     86      -6.5561      1.00000
     87      -6.4505      1.00000
     88      -6.2410      1.00000
     89      -6.1652      1.00000
     90      -6.1010      1.00000
     91      -5.9059      1.00000
     92      -5.6734      1.00000
     93      -5.5114      1.00000
     94      -5.4701      1.00000
     95      -5.2743      1.00000
     96      -5.1173      1.00000
     97      -4.9387      1.00000
     98      -4.9055      1.00000
     99      -4.9012      1.00000
    100      -4.4882      1.00000
    101      -4.1585      1.00000
    102      -4.0456      1.00000
    103      -3.9255      1.00000
    104      -3.5702      1.00000
    105      -3.5129      1.00000
    106      -2.8572      1.00000
    107      -2.2498      0.00000
    108      -1.6792      0.00000
    109      -0.9100      0.00000
    110      -0.8646      0.00000
    111      -0.8606      0.00000
    112      -0.7838      0.00000
    113      -0.1993      0.00000
    114      -0.1665      0.00000
    115      -0.0191      0.00000
    116       0.0029      0.00000
    117       0.2433      0.00000
    118       0.3240      0.00000
    119       0.7710      0.00000
    120       0.8585      0.00000
    121       0.9379      0.00000
    122       1.0608      0.00000
    123       1.2855      0.00000
    124       1.5230      0.00000
    125       1.5944      0.00000
    126       1.6816      0.00000
    127       1.9637      0.00000
    128       2.0142      0.00000
    129       2.0660      0.00000
    130       2.1158      0.00000
    131       2.2995      0.00000
    132       2.3727      0.00000
    133       2.4821      0.00000
    134       2.5806      0.00000
    135       2.6743      0.00000
    136       2.7649      0.00000
    137       2.9346      0.00000
    138       2.9887      0.00000
    139       3.0435      0.00000
    140       3.0521      0.00000
    141       3.1491      0.00000
    142       3.1673      0.00000
    143       3.1832      0.00000
    144       3.2223      0.00000
    145       3.3369      0.00000
    146       3.3965      0.00000
    147       3.4528      0.00000
    148       3.4725      0.00000
    149       3.4977      0.00000
    150       3.5356      0.00000
    151       3.5683      0.00000
    152       3.6005      0.00000
    153       3.6353      0.00000
    154       3.6980      0.00000
    155       3.7895      0.00000
    156       3.8994      0.00000
    157       3.9508      0.00000
    158       4.0465      0.00000
    159       4.1914      0.00000
    160       4.2048      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9679      1.00000
      2     -21.6159      1.00000
      3     -21.5543      1.00000
      4     -21.0452      1.00000
      5     -21.0034      1.00000
      6     -20.4962      1.00000
      7     -20.4369      1.00000
      8     -20.2824      1.00000
      9     -19.7558      1.00000
     10     -19.7149      1.00000
     11     -19.3844      1.00000
     12     -19.3476      1.00000
     13     -18.6783      1.00000
     14     -18.6344      1.00000
     15     -18.3209      1.00000
     16     -18.2750      1.00000
     17     -18.1232      1.00000
     18     -17.3422      1.00000
     19     -17.2981      1.00000
     20     -17.2717      1.00000
     21     -17.2453      1.00000
     22     -16.8128      1.00000
     23     -16.7569      1.00000
     24     -16.6403      1.00000
     25     -15.6877      1.00000
     26     -15.5776      1.00000
     27     -15.2729      1.00000
     28     -15.2338      1.00000
     29     -14.9406      1.00000
     30     -14.5593      1.00000
     31     -14.4918      1.00000
     32     -14.2464      1.00000
     33     -14.2047      1.00000
     34     -13.8357      1.00000
     35     -13.8247      1.00000
     36     -12.8641      1.00000
     37     -12.7584      1.00000
     38     -12.6974      1.00000
     39     -12.6832      1.00000
     40     -12.4082      1.00000
     41     -12.3600      1.00000
     42     -12.0066      1.00000
     43     -11.9841      1.00000
     44     -11.3778      1.00000
     45     -11.2923      1.00000
     46     -11.2331      1.00000
     47     -11.1828      1.00000
     48     -10.6048      1.00000
     49     -10.5893      1.00000
     50     -10.3388      1.00000
     51     -10.2647      1.00000
     52     -10.2119      1.00000
     53     -10.1683      1.00000
     54     -10.1268      1.00000
     55     -10.0734      1.00000
     56     -10.0213      1.00000
     57      -9.7119      1.00000
     58      -9.5762      1.00000
     59      -9.2881      1.00000
     60      -9.2227      1.00000
     61      -9.1288      1.00000
     62      -9.0976      1.00000
     63      -9.0738      1.00000
     64      -9.0434      1.00000
     65      -9.0056      1.00000
     66      -8.9529      1.00000
     67      -8.8420      1.00000
     68      -8.7995      1.00000
     69      -8.7803      1.00000
     70      -8.5417      1.00000
     71      -8.5320      1.00000
     72      -8.4106      1.00000
     73      -8.2692      1.00000
     74      -8.1539      1.00000
     75      -7.8749      1.00000
     76      -7.8462      1.00000
     77      -7.6325      1.00000
     78      -7.5398      1.00000
     79      -7.5022      1.00000
     80      -7.4521      1.00000
     81      -7.3944      1.00000
     82      -7.3595      1.00000
     83      -7.1618      1.00000
     84      -7.0490      1.00000
     85      -6.6252      1.00000
     86      -6.5857      1.00000
     87      -6.4935      1.00000
     88      -6.3057      1.00000
     89      -6.0966      1.00000
     90      -6.0428      1.00000
     91      -5.9808      1.00000
     92      -5.8752      1.00000
     93      -5.7949      1.00000
     94      -5.4796      1.00000
     95      -5.2688      1.00000
     96      -5.0623      1.00000
     97      -4.9032      1.00000
     98      -4.7695      1.00000
     99      -4.5147      1.00000
    100      -4.4347      1.00000
    101      -4.1723      1.00000
    102      -4.0036      1.00000
    103      -3.8615      1.00000
    104      -3.5942      1.00000
    105      -3.5192      1.00000
    106      -3.1675      1.00000
    107      -1.9268      0.00000
    108      -1.6935      0.00000
    109      -0.9865      0.00000
    110      -0.8966      0.00000
    111      -0.8729      0.00000
    112      -0.6337      0.00000
    113      -0.5809      0.00000
    114      -0.4927      0.00000
    115      -0.4665      0.00000
    116       0.3750      0.00000
    117       0.5308      0.00000
    118       0.5764      0.00000
    119       0.8155      0.00000
    120       1.0931      0.00000
    121       1.1002      0.00000
    122       1.2249      0.00000
    123       1.3563      0.00000
    124       1.4732      0.00000
    125       1.6034      0.00000
    126       1.7442      0.00000
    127       1.8314      0.00000
    128       1.9957      0.00000
    129       2.0752      0.00000
    130       2.0949      0.00000
    131       2.1584      0.00000
    132       2.3410      0.00000
    133       2.3446      0.00000
    134       2.4558      0.00000
    135       2.5132      0.00000
    136       2.7595      0.00000
    137       2.8087      0.00000
    138       2.8448      0.00000
    139       2.8772      0.00000
    140       2.9155      0.00000
    141       3.0350      0.00000
    142       3.0427      0.00000
    143       3.1230      0.00000
    144       3.1720      0.00000
    145       3.2669      0.00000
    146       3.3175      0.00000
    147       3.3854      0.00000
    148       3.4866      0.00000
    149       3.5788      0.00000
    150       3.6131      0.00000
    151       3.6835      0.00000
    152       3.6995      0.00000
    153       3.8038      0.00000
    154       3.8981      0.00000
    155       3.9301      0.00000
    156       3.9813      0.00000
    157       3.9992      0.00000
    158       4.1030      0.00000
    159       4.1364      0.00000
    160       4.1659      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0413      1.00000
      2     -21.4838      1.00000
      3     -21.2960      1.00000
      4     -21.2687      1.00000
      5     -20.9308      1.00000
      6     -20.8957      1.00000
      7     -20.7172      1.00000
      8     -19.8271      1.00000
      9     -19.7898      1.00000
     10     -19.2804      1.00000
     11     -19.2518      1.00000
     12     -19.0755      1.00000
     13     -18.7654      1.00000
     14     -18.7235      1.00000
     15     -18.7056      1.00000
     16     -18.6952      1.00000
     17     -18.0332      1.00000
     18     -18.0114      1.00000
     19     -17.6780      1.00000
     20     -16.7369      1.00000
     21     -16.6904      1.00000
     22     -16.6231      1.00000
     23     -16.6055      1.00000
     24     -16.1597      1.00000
     25     -16.1275      1.00000
     26     -15.2784      1.00000
     27     -15.2609      1.00000
     28     -14.9058      1.00000
     29     -14.8970      1.00000
     30     -14.8731      1.00000
     31     -14.7787      1.00000
     32     -14.7331      1.00000
     33     -14.3731      1.00000
     34     -14.3549      1.00000
     35     -13.4077      1.00000
     36     -13.3827      1.00000
     37     -12.9128      1.00000
     38     -12.3485      1.00000
     39     -12.2473      1.00000
     40     -12.1263      1.00000
     41     -12.1130      1.00000
     42     -11.7801      1.00000
     43     -11.7634      1.00000
     44     -11.3906      1.00000
     45     -11.3622      1.00000
     46     -11.2640      1.00000
     47     -10.9015      1.00000
     48     -10.8944      1.00000
     49     -10.6755      1.00000
     50     -10.6729      1.00000
     51     -10.5975      1.00000
     52     -10.5566      1.00000
     53     -10.1991      1.00000
     54      -9.8738      1.00000
     55      -9.8197      1.00000
     56      -9.7590      1.00000
     57      -9.5679      1.00000
     58      -9.3676      1.00000
     59      -9.3562      1.00000
     60      -9.3246      1.00000
     61      -9.2984      1.00000
     62      -9.2353      1.00000
     63      -9.1980      1.00000
     64      -8.9932      1.00000
     65      -8.9691      1.00000
     66      -8.9198      1.00000
     67      -8.9071      1.00000
     68      -8.7999      1.00000
     69      -8.7883      1.00000
     70      -8.7775      1.00000
     71      -8.6113      1.00000
     72      -8.5438      1.00000
     73      -8.2715      1.00000
     74      -8.2647      1.00000
     75      -7.8165      1.00000
     76      -7.7243      1.00000
     77      -7.5744      1.00000
     78      -7.5001      1.00000
     79      -7.4594      1.00000
     80      -7.4190      1.00000
     81      -7.1390      1.00000
     82      -6.9896      1.00000
     83      -6.9693      1.00000
     84      -6.9386      1.00000
     85      -6.8811      1.00000
     86      -6.6804      1.00000
     87      -6.5605      1.00000
     88      -6.4393      1.00000
     89      -6.3908      1.00000
     90      -6.3066      1.00000
     91      -5.8639      1.00000
     92      -5.7911      1.00000
     93      -5.7689      1.00000
     94      -5.6547      1.00000
     95      -5.5949      1.00000
     96      -5.0430      1.00000
     97      -4.6194      1.00000
     98      -4.5248      1.00000
     99      -4.3631      1.00000
    100      -4.2381      1.00000
    101      -4.1829      1.00000
    102      -3.8306      1.00000
    103      -3.8012      1.00000
    104      -3.7300      1.00000
    105      -3.4504      1.00000
    106      -3.4214      1.00000
    107      -1.8093      0.00000
    108      -1.4347      0.00000
    109      -1.3862      0.00000
    110      -1.0266      0.00000
    111      -1.0023      0.00000
    112      -0.9774      0.00000
    113      -0.8561      0.00000
    114      -0.2673      0.00000
    115       0.0433      0.00000
    116       0.0720      0.00000
    117       0.7454      0.00000
    118       0.9107      0.00000
    119       0.9325      0.00000
    120       1.2039      0.00000
    121       1.2659      0.00000
    122       1.3598      0.00000
    123       1.4311      0.00000
    124       1.4738      0.00000
    125       1.5476      0.00000
    126       1.6832      0.00000
    127       1.7572      0.00000
    128       1.9649      0.00000
    129       1.9836      0.00000
    130       2.1679      0.00000
    131       2.1997      0.00000
    132       2.2308      0.00000
    133       2.3378      0.00000
    134       2.3897      0.00000
    135       2.4285      0.00000
    136       2.5289      0.00000
    137       2.6976      0.00000
    138       2.7333      0.00000
    139       2.7883      0.00000
    140       2.8257      0.00000
    141       2.8758      0.00000
    142       3.0454      0.00000
    143       3.1284      0.00000
    144       3.1567      0.00000
    145       3.1717      0.00000
    146       3.2091      0.00000
    147       3.2253      0.00000
    148       3.4204      0.00000
    149       3.4257      0.00000
    150       3.4794      0.00000
    151       3.6014      0.00000
    152       3.6015      0.00000
    153       3.7933      0.00000
    154       3.8608      0.00000
    155       3.9262      0.00000
    156       4.0090      0.00000
    157       4.1353      0.00000
    158       4.1656      0.00000
    159       4.2102      0.00000
    160       4.3170      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.8489      1.00000
      2     -21.7855      1.00000
      3     -21.6152      1.00000
      4     -21.0630      1.00000
      5     -20.7013      1.00000
      6     -20.6785      1.00000
      7     -20.1529      1.00000
      8     -20.1270      1.00000
      9     -19.9470      1.00000
     10     -19.9466      1.00000
     11     -19.6078      1.00000
     12     -19.5626      1.00000
     13     -18.5433      1.00000
     14     -18.4862      1.00000
     15     -17.9959      1.00000
     16     -17.9814      1.00000
     17     -17.8143      1.00000
     18     -17.8085      1.00000
     19     -17.4772      1.00000
     20     -17.4629      1.00000
     21     -16.9352      1.00000
     22     -16.9076      1.00000
     23     -16.8217      1.00000
     24     -16.8027      1.00000
     25     -15.7933      1.00000
     26     -15.5333      1.00000
     27     -15.5312      1.00000
     28     -15.5156      1.00000
     29     -14.8922      1.00000
     30     -14.2221      1.00000
     31     -14.2016      1.00000
     32     -13.9378      1.00000
     33     -13.6695      1.00000
     34     -13.6280      1.00000
     35     -13.4964      1.00000
     36     -13.4815      1.00000
     37     -13.2717      1.00000
     38     -13.2443      1.00000
     39     -13.0312      1.00000
     40     -12.3169      1.00000
     41     -11.8406      1.00000
     42     -11.8271      1.00000
     43     -11.7222      1.00000
     44     -11.6868      1.00000
     45     -11.4148      1.00000
     46     -11.3423      1.00000
     47     -11.1775      1.00000
     48     -10.8052      1.00000
     49     -10.7965      1.00000
     50     -10.4578      1.00000
     51     -10.4026      1.00000
     52     -10.0389      1.00000
     53      -9.8785      1.00000
     54      -9.8694      1.00000
     55      -9.8500      1.00000
     56      -9.7013      1.00000
     57      -9.6631      1.00000
     58      -9.6475      1.00000
     59      -9.4947      1.00000
     60      -9.4665      1.00000
     61      -9.4443      1.00000
     62      -9.4326      1.00000
     63      -9.1290      1.00000
     64      -9.0329      1.00000
     65      -8.7662      1.00000
     66      -8.7303      1.00000
     67      -8.6723      1.00000
     68      -8.6306      1.00000
     69      -8.5353      1.00000
     70      -8.3810      1.00000
     71      -8.3726      1.00000
     72      -8.2415      1.00000
     73      -8.2213      1.00000
     74      -8.1337      1.00000
     75      -8.1333      1.00000
     76      -8.0099      1.00000
     77      -7.9739      1.00000
     78      -7.7667      1.00000
     79      -7.7288      1.00000
     80      -7.6245      1.00000
     81      -7.3742      1.00000
     82      -7.2941      1.00000
     83      -7.1855      1.00000
     84      -6.7388      1.00000
     85      -6.6317      1.00000
     86      -6.5618      1.00000
     87      -6.3093      1.00000
     88      -6.2291      1.00000
     89      -6.1647      1.00000
     90      -6.1359      1.00000
     91      -6.0562      1.00000
     92      -5.6745      1.00000
     93      -5.4872      1.00000
     94      -5.4521      1.00000
     95      -5.2990      1.00000
     96      -5.0920      1.00000
     97      -4.9187      1.00000
     98      -4.9100      1.00000
     99      -4.8768      1.00000
    100      -4.4591      1.00000
    101      -4.1485      1.00000
    102      -4.0204      1.00000
    103      -3.9530      1.00000
    104      -3.5831      1.00000
    105      -3.5309      1.00000
    106      -2.9592      1.00000
    107      -2.1046      0.00000
    108      -1.7283      0.00000
    109      -0.8664      0.00000
    110      -0.8643      0.00000
    111      -0.8569      0.00000
    112      -0.8325      0.00000
    113      -0.1872      0.00000
    114      -0.1727      0.00000
    115      -0.0391      0.00000
    116      -0.0167      0.00000
    117       0.2952      0.00000
    118       0.3027      0.00000
    119       0.7500      0.00000
    120       0.8495      0.00000
    121       0.9920      0.00000
    122       1.0319      0.00000
    123       1.2470      0.00000
    124       1.5799      0.00000
    125       1.5801      0.00000
    126       1.6596      0.00000
    127       1.9679      0.00000
    128       2.0212      0.00000
    129       2.0723      0.00000
    130       2.1177      0.00000
    131       2.2966      0.00000
    132       2.3718      0.00000
    133       2.5396      0.00000
    134       2.5558      0.00000
    135       2.6572      0.00000
    136       2.8314      0.00000
    137       2.9355      0.00000
    138       2.9616      0.00000
    139       3.0300      0.00000
    140       3.0524      0.00000
    141       3.1175      0.00000
    142       3.1639      0.00000
    143       3.1968      0.00000
    144       3.2172      0.00000
    145       3.3391      0.00000
    146       3.3951      0.00000
    147       3.4381      0.00000
    148       3.4735      0.00000
    149       3.5056      0.00000
    150       3.5373      0.00000
    151       3.5600      0.00000
    152       3.5741      0.00000
    153       3.6315      0.00000
    154       3.6837      0.00000
    155       3.8060      0.00000
    156       3.9202      0.00000
    157       3.9517      0.00000
    158       4.0465      0.00000
    159       4.1838      0.00000
    160       4.2032      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9320      1.00000
      2     -21.7366      1.00000
      3     -21.3732      1.00000
      4     -21.3435      1.00000
      5     -20.6362      1.00000
      6     -20.5989      1.00000
      7     -20.2661      1.00000
      8     -20.2381      1.00000
      9     -20.2296      1.00000
     10     -19.6937      1.00000
     11     -19.1729      1.00000
     12     -19.1436      1.00000
     13     -18.9771      1.00000
     14     -18.9622      1.00000
     15     -18.1075      1.00000
     16     -18.0721      1.00000
     17     -17.5984      1.00000
     18     -17.5737      1.00000
     19     -17.4235      1.00000
     20     -17.3863      1.00000
     21     -17.1122      1.00000
     22     -17.0899      1.00000
     23     -17.0003      1.00000
     24     -16.1584      1.00000
     25     -16.1230      1.00000
     26     -15.6393      1.00000
     27     -15.0818      1.00000
     28     -15.0636      1.00000
     29     -14.7709      1.00000
     30     -14.7492      1.00000
     31     -14.5118      1.00000
     32     -14.5044      1.00000
     33     -13.9889      1.00000
     34     -13.9200      1.00000
     35     -13.1474      1.00000
     36     -13.0670      1.00000
     37     -12.8567      1.00000
     38     -12.8329      1.00000
     39     -12.6601      1.00000
     40     -12.6381      1.00000
     41     -12.2914      1.00000
     42     -12.2695      1.00000
     43     -11.8822      1.00000
     44     -11.2749      1.00000
     45     -11.2495      1.00000
     46     -11.1806      1.00000
     47     -10.9819      1.00000
     48     -10.9398      1.00000
     49     -10.8087      1.00000
     50     -10.3768      1.00000
     51     -10.3349      1.00000
     52     -10.0934      1.00000
     53      -9.9838      1.00000
     54      -9.9833      1.00000
     55      -9.8549      1.00000
     56      -9.7959      1.00000
     57      -9.7642      1.00000
     58      -9.4796      1.00000
     59      -9.4199      1.00000
     60      -9.3895      1.00000
     61      -9.3745      1.00000
     62      -9.3668      1.00000
     63      -9.3192      1.00000
     64      -9.0350      1.00000
     65      -9.0199      1.00000
     66      -8.9896      1.00000
     67      -8.6539      1.00000
     68      -8.6337      1.00000
     69      -8.5808      1.00000
     70      -8.4572      1.00000
     71      -8.2628      1.00000
     72      -8.1963      1.00000
     73      -8.0964      1.00000
     74      -8.0584      1.00000
     75      -7.9728      1.00000
     76      -7.9673      1.00000
     77      -7.9309      1.00000
     78      -7.9135      1.00000
     79      -7.9018      1.00000
     80      -7.4891      1.00000
     81      -7.2145      1.00000
     82      -7.0229      1.00000
     83      -6.9405      1.00000
     84      -6.8758      1.00000
     85      -6.8230      1.00000
     86      -6.6732      1.00000
     87      -6.6339      1.00000
     88      -6.2880      1.00000
     89      -6.2618      1.00000
     90      -6.1388      1.00000
     91      -5.9481      1.00000
     92      -5.6319      1.00000
     93      -5.5170      1.00000
     94      -5.3922      1.00000
     95      -5.3189      1.00000
     96      -5.0072      1.00000
     97      -4.9732      1.00000
     98      -4.9067      1.00000
     99      -4.8795      1.00000
    100      -4.2441      1.00000
    101      -4.1663      1.00000
    102      -3.9678      1.00000
    103      -3.7915      1.00000
    104      -3.6104      1.00000
    105      -3.5022      1.00000
    106      -3.3589      1.00000
    107      -1.7447      0.00000
    108      -1.5213      0.00000
    109      -1.4827      0.00000
    110      -0.7654      0.00000
    111      -0.7148      0.00000
    112      -0.6996      0.00000
    113      -0.3510      0.00000
    114      -0.3430      0.00000
    115      -0.2933      0.00000
    116      -0.2788      0.00000
    117       0.4676      0.00000
    118       0.5389      0.00000
    119       0.8247      0.00000
    120       1.0691      0.00000
    121       1.1267      0.00000
    122       1.3371      0.00000
    123       1.5389      0.00000
    124       1.5454      0.00000
    125       1.6303      0.00000
    126       1.7301      0.00000
    127       1.8655      0.00000
    128       1.9044      0.00000
    129       1.9399      0.00000
    130       2.0349      0.00000
    131       2.1399      0.00000
    132       2.2724      0.00000
    133       2.3553      0.00000
    134       2.5043      0.00000
    135       2.6166      0.00000
    136       2.6583      0.00000
    137       2.6815      0.00000
    138       2.7649      0.00000
    139       2.9018      0.00000
    140       2.9438      0.00000
    141       3.0353      0.00000
    142       3.2025      0.00000
    143       3.2310      0.00000
    144       3.2603      0.00000
    145       3.3693      0.00000
    146       3.4017      0.00000
    147       3.4779      0.00000
    148       3.5708      0.00000
    149       3.6381      0.00000
    150       3.6428      0.00000
    151       3.6617      0.00000
    152       3.6968      0.00000
    153       3.8265      0.00000
    154       3.8727      0.00000
    155       3.9220      0.00000
    156       3.9225      0.00000
    157       4.0028      0.00000
    158       4.0428      0.00000
    159       4.0864      0.00000
    160       4.0912      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   203.8847   -7.1174    4.1308   -1.3434   -0.2919   17.9348   -0.2867   -0.0277    0.1583   -0.1178
x    -3.2528   -0.0116   -0.0003   -0.0470    0.1022   -3.0479    0.0186   -0.0218    0.0097    0.0027
x    -0.0997    0.0018   -0.0004   -0.0003    0.0005   -0.0235   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   203.8847    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0008    0.0009    0.0036   -0.0998   -0.0413    0.0829    0.0206
y     0.0043   -3.2706   -0.0623    0.2288   -2.4045   -0.6401
z   203.8847    1.5092    0.2847    0.1084    0.0446    0.0805   -0.0027   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0855    0.0044   -0.0014    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0001   -0.0001
z    -0.0002    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  -16.4336
z    -0.4222    0.1516    0.0488    0.1381   -0.0842    0.0003
 total charge-density along one line
x   212.0000  -10.0913    6.1821   -2.2004   -0.5434   19.9240   -1.5348    1.0935   -0.6234    0.2971
x    -2.8496    0.0060    0.0201   -0.0537    0.0874   -2.3195    0.0255   -0.0280    0.0131    0.0038
x    -0.0939    0.0073   -0.0047    0.0022   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
x    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
x    -0.0004    0.0000    0.0000    0.0000    0.0001   -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  -10.0913    6.1821   -2.2004   -0.5434   19.9240   -1.5348    1.0935   -0.6234    0.2971
y    -2.8496    0.0060    0.0201   -0.0537    0.0874   -2.3195    0.0255   -0.0280    0.0131    0.0038
y    -0.0939    0.0073   -0.0047    0.0022   -0.0006   -0.0350   -0.0003   -0.0003    0.0004   -0.0003
y    -0.0055    0.0000   -0.0002    0.0001    0.0000    0.0012    0.0002   -0.0001    0.0000    0.0000
y    -0.0004    0.0000    0.0000    0.0000    0.0001   -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 -205.1421  189.0859 -171.5109  155.1467 -138.8707  122.8273 -108.2115   94.3312  -79.5294
z    64.1456  -50.3177   39.3968  -31.0555   24.4927  -19.2581   15.0100  -11.4008    8.3524   -5.9864
z     4.2453   -2.8851    1.7958   -1.0368    0.5718   -0.2212   -0.1033    0.3226   -0.3878    0.3903
z    -0.4240    0.4624   -0.4405    0.3699   -0.3092    0.2758   -0.2457    0.2078   -0.1728    0.1452
z    -0.1195    0.0960   -0.0793    0.0672   -0.0547    0.0431   -0.0366    0.0330   -0.0276    0.0212
z    -0.0174    0.0162   -0.0142    0.0109   -0.0081    0.0069   -0.0060    0.0046   -0.0032    0.0022
z    -0.0015    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0005    0.0005   -0.0004
z     0.0003   -0.0003    0.0002   -0.0001   -0.0001    0.0001   -0.0001    0.0002   -0.0002    0.0002
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0001   -0.0001
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    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
 
 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
-10.736   0.000  -0.013   0.000   0.000   0.169   0.000   0.002
  0.000 -10.926   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.049   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.973   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.735   0.000   0.000  -0.001
  0.169   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.169   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.736   0.000  -0.013   0.000   0.000   0.169   0.000   0.002
  0.000 -10.926   0.000   0.041   0.000   0.000   0.194   0.000
 -0.013   0.000 -11.049   0.000   0.008   0.002   0.000   0.208
  0.000   0.041   0.000 -10.973   0.000   0.000  -0.005   0.000
  0.000   0.000   0.008   0.000 -10.735   0.000   0.000  -0.001
  0.169   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.194   0.000  -0.005   0.000   0.000   0.176   0.000
  0.002   0.000   0.208   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.005   0.000   0.199   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.169   0.000   0.000   0.000
 -0.017   0.000   0.093   0.000   0.010   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.024   0.000  -0.001   0.000   0.000  -0.003   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.025   0.000   0.000   0.000   0.000
  0.000  -0.017   0.000   0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.021   0.000   0.000   0.000   0.000   0.002
  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.946   0.000   0.040   0.000  -0.002   0.092   0.000  -0.024   0.000  -0.007   0.065  -0.013   0.000   0.012   0.000   0.000
  0.000   1.872   0.000   0.091   0.000   0.000   0.238   0.000  -0.070   0.000   0.000   0.000   0.016   0.000   0.019   0.023
  0.040   0.000   1.720   0.000  -0.020  -0.013   0.000   0.405   0.000   0.006  -0.313   0.024   0.000  -0.024   0.000   0.000
  0.000   0.091   0.000   1.777   0.000   0.000  -0.070   0.000   0.314   0.000   0.000   0.000   0.019   0.000  -0.003  -0.001
 -0.002   0.000  -0.020   0.000   1.950  -0.007   0.000   0.012   0.000   0.081  -0.057   0.006   0.000  -0.007   0.000   0.000
  0.092   0.000  -0.013   0.000  -0.007   0.031   0.000  -0.037   0.000   0.005  -0.065   0.027   0.000   0.026   0.000   0.000
  0.000   0.238   0.000  -0.070   0.000   0.000   0.147   0.000  -0.076   0.000   0.000   0.000  -0.044   0.000   0.027   0.005
 -0.024   0.000   0.405   0.000   0.012  -0.037   0.000   0.671   0.000   0.022   0.516  -0.354   0.000  -0.102   0.000   0.000
  0.000  -0.070   0.000   0.314   0.000   0.000  -0.076   0.000   0.236   0.000   0.000   0.000   0.027   0.000  -0.076  -0.002
 -0.007   0.000   0.006   0.000   0.081   0.005   0.000   0.022   0.000   0.037   0.043  -0.016   0.000  -0.015   0.000   0.000
  0.065   0.000  -0.313   0.000  -0.057  -0.065   0.000   0.516   0.000   0.043   0.872  -0.390   0.000  -0.153   0.000   0.000
 -0.013   0.000   0.024   0.000   0.006   0.027   0.000  -0.354   0.000  -0.016  -0.390   0.272   0.000   0.080   0.000   0.000
  0.000   0.016   0.000   0.019   0.000   0.000  -0.044   0.000   0.027   0.000   0.000   0.000   0.020   0.000  -0.011  -0.001
  0.012   0.000  -0.024   0.000  -0.007   0.026   0.000  -0.102   0.000  -0.015  -0.153   0.080   0.000   0.171   0.000   0.000
  0.000   0.019   0.000  -0.003   0.000   0.000   0.027   0.000  -0.076   0.000   0.000   0.000  -0.011   0.000   0.034   0.001
  0.000   0.023   0.000  -0.001   0.000   0.000   0.005   0.000  -0.002   0.000   0.000   0.000  -0.001   0.000   0.001   0.000
 -0.002   0.000   0.029   0.000   0.001  -0.002   0.000   0.015   0.000   0.001   0.004  -0.007   0.000  -0.011   0.000   0.000
  0.000  -0.001   0.000   0.025   0.000   0.000  -0.002   0.000   0.008   0.000   0.000   0.000   0.001   0.000  -0.001   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        0.428   0.164   8.206   8.797
  2        0.629   0.031   0.000   0.661
  3        0.545   0.027   0.000   0.572
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.644
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.782   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.786   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.636
 17        0.850   1.758   0.000   2.608
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.647
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.772   0.000   2.636
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.786   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.782   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.644
------------------------------------------------
tot       44.742  89.253   8.206 142.201
 


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


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


    CHARGE:  VPU time  113.59: CPU time   57.14
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  442.48: CPU time  221.78
    STRESS:  VPU time 1330.18: CPU time  669.65
    FORCOR:  VPU time    8.63: CPU time    8.63
    FORHAR:  VPU time    2.28: CPU time    2.27
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force = 0.3747420E-04[ 0.267E-04, 0.482E-04]  d Energy = 0.3674678E-04 0.727E-06
 d Force = 0.2693931E+00[ 0.270E+00, 0.269E+00]  d Ewald  = 0.1834327E+01-0.156E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -470.339201 eV

  energy  without entropy=     -470.339201  energy(sigma->0) =     -470.339201
 

  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    40604.00  40577.16 -47248.93    -23.24      0.00      0.00
  Hartree  40129.81  40117.24 -39358.97    -10.89      0.00      0.00
  E(xc)     -779.86   -779.97   -806.98     -0.09      0.00      0.00
  Local   -83022.19 -82986.63  83936.30     30.80      0.00      0.00
  n-local   -223.87   -221.85   -215.71      0.98      0.00      0.00
  augment     21.43     21.92     18.85      0.43      0.00      0.00
  Kinetic   3172.50   3181.66   3581.04     -0.18      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.41     -0.38     -0.46      0.02      0.00      0.00
  in kB       -0.25     -0.23     -0.28      0.01      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.352089076  0.001211748  0.000000000     0.080953381  0.046727936  0.000000000
    -6.175001778 10.697824716  0.000000000    -0.000009170  0.093471655  0.000000000
     0.000000000  0.000000000 19.962939166     0.000000000  0.000000000  0.050092824

  length of vectors
    12.352089135 12.352088917 19.962939166     0.093471653  0.093471655  0.050092824


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.692E-05 -.446E-04 -.104E+04   0.578E-05 -.294E-04 0.104E+04   -.445E-21 0.910E-21 0.319E+01   -.545E-07 0.311E-07 -.141E-01
   -.230E-06 -.792E-05 -.108E+03   -.713E-07 -.948E-06 0.104E+03   -.356E-23 -.662E-23 0.348E+01   -.122E-08 0.127E-08 0.330E-03
   -.138E-06 -.662E-05 -.114E+03   -.711E-07 -.597E-06 0.118E+03   0.318E-21 0.201E-28 -.460E+01   -.591E-09 0.577E-09 0.699E-03
   -.185E+01 0.107E+01 0.219E+02   0.185E+01 -.107E+01 -.219E+02   -.587E-02 0.339E-02 0.179E-01   -.407E-03 0.232E-03 0.276E-02
   0.563E+01 0.662E+01 0.248E+02   -.563E+01 -.664E+01 -.248E+02   -.407E-02 0.234E-01 -.255E-02   0.929E-03 -.320E-03 0.239E-02
   0.109E+02 0.542E+01 0.207E+02   -.109E+02 -.544E+01 -.207E+02   0.747E-02 0.138E-01 -.531E-01   -.400E-03 0.384E-03 0.540E-03
   0.436E+01 -.117E+01 0.189E+02   -.437E+01 0.119E+01 -.190E+02   0.177E-01 -.219E-01 0.286E-01   -.107E-02 0.185E-03 0.494E-03
   -.270E+01 -.255E+01 0.176E+02   0.271E+01 0.256E+01 -.176E+02   -.891E-02 -.137E-01 0.260E-01   -.983E-03 0.130E-03 0.230E-02
   0.856E+00 0.361E+01 0.176E+02   -.862E+00 -.362E+01 -.176E+02   0.738E-02 0.146E-01 0.260E-01   -.609E-03 0.781E-03 0.230E-02
   0.302E+01 0.180E+02 0.285E+02   -.303E+01 -.181E+02 -.285E+02   0.942E-02 0.496E-01 0.356E-01   -.221E-03 0.919E-03 0.535E-03
   0.209E+02 0.234E+02 0.400E+02   -.209E+02 -.236E+02 -.398E+02   0.473E-01 0.194E+00 -.102E+00   -.507E-03 0.300E-03 -.294E-02
   0.269E+02 -.518E+01 0.254E+02   -.271E+02 0.529E+01 -.255E+02   0.200E+00 -.105E+00 0.575E-01   0.374E-03 -.102E-02 -.283E-02
   0.938E+01 -.541E+01 0.165E+02   -.937E+01 0.541E+01 -.165E+02   -.107E-01 0.621E-02 0.381E-01   0.482E-03 -.285E-03 0.251E-02
   0.319E+01 -.319E+01 0.189E+02   -.321E+01 0.320E+01 -.190E+02   0.279E-01 -.438E-02 0.286E-01   -.699E-03 0.832E-03 0.483E-03
   -.597E+01 0.130E+02 0.219E+02   0.597E+01 -.130E+02 -.219E+02   0.117E-01 0.486E-01 0.274E-01   -.105E-02 0.542E-03 -.126E-02
   -.125E+02 0.346E+02 0.383E+02   0.125E+02 -.351E+02 -.388E+02   0.166E-01 0.503E+00 0.522E+00   0.384E-03 -.278E-03 -.346E-02
   0.335E+02 -.193E+02 0.481E+02   -.347E+02 0.200E+02 -.507E+02   0.122E+01 -.706E+00 0.263E+01   -.422E-03 0.241E-03 0.231E-02
   0.179E+02 -.207E+02 0.254E+02   -.181E+02 0.208E+02 -.255E+02   0.191E+00 -.121E+00 0.575E-01   0.107E-02 0.180E-03 -.284E-02
   0.746E+00 -.121E+02 0.207E+02   -.733E+00 0.121E+02 -.207E+02   -.818E-02 -.133E-01 -.531E-01   -.530E-03 0.153E-03 0.533E-03
   -.387E+01 0.130E+01 0.160E+02   0.388E+01 -.131E+01 -.160E+02   -.986E-02 0.817E-02 -.408E-01   -.933E-03 -.116E-04 0.202E-02
   -.177E+02 0.102E+02 0.192E+02   0.177E+02 -.102E+02 -.190E+02   -.374E-01 0.216E-01 -.146E+00   0.474E-03 -.270E-03 0.265E-03
   -.363E+02 -.649E+01 0.383E+02   0.367E+02 0.676E+01 -.388E+02   -.427E+00 -.266E+00 0.522E+00   0.437E-03 -.194E-03 -.346E-02
   -.987E+01 -.298E+02 0.400E+02   0.100E+02 0.299E+02 -.398E+02   -.145E+00 -.138E+00 -.102E+00   -.510E-03 0.285E-03 -.294E-02
   -.292E+01 -.818E+01 0.248E+02   0.293E+01 0.819E+01 -.248E+02   -.223E-01 -.817E-02 -.255E-02   0.744E-03 -.647E-03 0.239E-02
   0.102E+01 -.586E+00 0.179E+02   -.101E+01 0.585E+00 -.179E+02   -.383E-02 0.221E-02 -.294E-01   -.213E-03 0.125E-03 0.301E-02
   -.306E+01 0.270E+01 0.160E+02   0.307E+01 -.271E+01 -.160E+02   -.120E-01 0.446E-02 -.408E-01   -.455E-03 0.818E-03 0.202E-02
   -.142E+02 -.132E+01 0.219E+02   0.143E+02 0.135E+01 -.219E+02   -.362E-01 -.344E-01 0.274E-01   -.993E-03 0.637E-03 -.125E-02
   -.141E+02 -.116E+02 0.285E+02   0.142E+02 0.117E+02 -.285E+02   -.383E-01 -.330E-01 0.356E-01   -.905E-03 -.273E-03 0.539E-03
   0.292E+01 0.818E+01 0.248E+02   -.293E+01 -.819E+01 -.248E+02   0.223E-01 0.817E-02 -.255E-02   -.744E-03 0.647E-03 0.239E-02
   0.141E+02 0.116E+02 0.285E+02   -.142E+02 -.117E+02 -.285E+02   0.383E-01 0.330E-01 0.356E-01   0.905E-03 0.273E-03 0.539E-03
   0.142E+02 0.132E+01 0.219E+02   -.143E+02 -.135E+01 -.219E+02   0.362E-01 0.344E-01 0.274E-01   0.993E-03 -.637E-03 -.125E-02
   0.306E+01 -.270E+01 0.160E+02   -.307E+01 0.271E+01 -.160E+02   0.120E-01 -.446E-02 -.408E-01   0.455E-03 -.818E-03 0.202E-02
   -.102E+01 0.586E+00 0.179E+02   0.101E+01 -.585E+00 -.179E+02   0.383E-02 -.221E-02 -.294E-01   0.213E-03 -.125E-03 0.301E-02
   -.747E+00 0.121E+02 0.207E+02   0.733E+00 -.121E+02 -.207E+02   0.818E-02 0.133E-01 -.531E-01   0.530E-03 -.153E-03 0.533E-03
   0.987E+01 0.298E+02 0.400E+02   -.100E+02 -.299E+02 -.398E+02   0.145E+00 0.138E+00 -.102E+00   0.510E-03 -.285E-03 -.294E-02
   0.363E+02 0.649E+01 0.383E+02   -.367E+02 -.676E+01 -.388E+02   0.427E+00 0.266E+00 0.522E+00   -.437E-03 0.194E-03 -.346E-02
   0.177E+02 -.102E+02 0.192E+02   -.177E+02 0.102E+02 -.190E+02   0.374E-01 -.216E-01 -.146E+00   -.474E-03 0.270E-03 0.265E-03
   0.387E+01 -.130E+01 0.160E+02   -.388E+01 0.131E+01 -.160E+02   0.986E-02 -.817E-02 -.408E-01   0.933E-03 0.116E-04 0.202E-02
   -.319E+01 0.319E+01 0.189E+02   0.321E+01 -.320E+01 -.190E+02   -.279E-01 0.438E-02 0.286E-01   0.699E-03 -.832E-03 0.483E-03
   -.179E+02 0.207E+02 0.254E+02   0.181E+02 -.208E+02 -.255E+02   -.191E+00 0.121E+00 0.575E-01   -.107E-02 -.180E-03 -.284E-02
   -.335E+02 0.193E+02 0.481E+02   0.347E+02 -.200E+02 -.507E+02   -.122E+01 0.706E+00 0.263E+01   0.422E-03 -.241E-03 0.231E-02
   0.125E+02 -.346E+02 0.383E+02   -.125E+02 0.351E+02 -.388E+02   -.166E-01 -.503E+00 0.522E+00   -.384E-03 0.278E-03 -.346E-02
   0.597E+01 -.130E+02 0.219E+02   -.597E+01 0.130E+02 -.219E+02   -.117E-01 -.486E-01 0.274E-01   0.105E-02 -.542E-03 -.126E-02
   -.856E+00 -.361E+01 0.176E+02   0.862E+00 0.362E+01 -.176E+02   -.738E-02 -.146E-01 0.260E-01   0.609E-03 -.781E-03 0.230E-02
   -.938E+01 0.541E+01 0.165E+02   0.937E+01 -.541E+01 -.165E+02   0.107E-01 -.621E-02 0.381E-01   -.482E-03 0.285E-03 0.251E-02
   -.269E+02 0.518E+01 0.254E+02   0.271E+02 -.529E+01 -.255E+02   -.200E+00 0.105E+00 0.575E-01   -.374E-03 0.102E-02 -.283E-02
   -.209E+02 -.234E+02 0.400E+02   0.209E+02 0.236E+02 -.398E+02   -.473E-01 -.194E+00 -.102E+00   0.507E-03 -.300E-03 -.294E-02
   -.302E+01 -.180E+02 0.285E+02   0.303E+01 0.181E+02 -.285E+02   -.942E-02 -.496E-01 0.356E-01   0.221E-03 -.919E-03 0.535E-03
   0.185E+01 -.107E+01 0.219E+02   -.185E+01 0.107E+01 -.219E+02   0.587E-02 -.339E-02 0.179E-01   0.407E-03 -.232E-03 0.276E-02
   0.270E+01 0.255E+01 0.176E+02   -.271E+01 -.256E+01 -.176E+02   0.891E-02 0.137E-01 0.260E-01   0.983E-03 -.130E-03 0.230E-02
   -.436E+01 0.117E+01 0.189E+02   0.437E+01 -.119E+01 -.190E+02   -.177E-01 0.219E-01 0.286E-01   0.107E-02 -.185E-03 0.494E-03
   -.109E+02 -.542E+01 0.207E+02   0.109E+02 0.544E+01 -.207E+02   -.747E-02 -.138E-01 -.531E-01   0.400E-03 -.384E-03 0.540E-03
   -.563E+01 -.662E+01 0.248E+02   0.563E+01 0.664E+01 -.248E+02   0.407E-02 -.234E-01 -.255E-02   -.929E-03 0.320E-03 0.239E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.296E-03 -.910E+01   -.995E-13 0.236E-12 0.124E-12   -.597E-15 0.132E-15 0.909E+01   -.344E-07 0.169E-07 -.264E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85340      6.06263     12.23105         0.000000      0.000000     -0.007272
      1.85340      6.06263     14.01122         0.000000      0.000000     -0.009499
      1.85340      6.06263     14.78114         0.000000      0.000000     -0.008272
      0.00070     -0.00040      9.91620        -0.002386      0.001377     -0.004143
     11.11643      2.13963      9.91977        -0.002783      0.006097     -0.003401
      9.87976      4.27998      9.94458         0.003703     -0.003193     -0.000472
      8.64597      6.41998      9.94446         0.003011     -0.004174     -0.000363
     -4.93785      8.55836      9.93501         0.000363     -0.000348     -0.002962
     -3.70359     10.69615      9.93501         0.000483     -0.000141     -0.002962
      1.23538      2.13748      9.94310        -0.001781     -0.006739      0.000245
     -0.00506      4.27715      9.99730         0.003950      0.004380      0.006934
     -1.24109      6.41707     10.00664        -0.002878      0.003836      0.005212
     -2.46757      8.55734      9.95908        -0.005041      0.002910     -0.005130
      4.94021      0.00142      9.94446         0.005121     -0.000521     -0.000363
      3.70634      2.13545      9.95861         0.004501     -0.003287      0.002845
      2.47317      4.25696     10.07663        -0.005575     -0.000515      0.005419
      1.22025      6.42818     10.22415        -0.002874      0.001659      0.004183
     -0.00080      8.56532     10.00664        -0.004761      0.000574      0.005212
      7.41040      0.00293      9.94458         0.004616     -0.001610     -0.000472
      6.17566      2.14025      9.94604         0.001057      0.004248     -0.003228
      4.94306      4.27881      9.99645        -0.005974      0.003449      0.001239
      3.72704      6.42873     10.07663        -0.002341      0.005086      0.005419
      2.47044      8.56484      9.99730        -0.001818     -0.005611      0.006934
      9.88233      0.00211      9.91977        -0.006672     -0.000638     -0.003401
      8.64567      2.14111      9.92703        -0.001345      0.000777     -0.004088
      7.41141      4.28063      9.94604        -0.003150     -0.003040     -0.003228
      6.18090      6.42152      9.95861         0.005097     -0.002255      0.002845
      4.94367      8.56043      9.94310         0.004946      0.004912      0.000245
     -0.00052      1.42531      9.91977         0.006672      0.000638     -0.003401
     -1.23686      3.56482      9.94310        -0.004946     -0.004912      0.000245
     -2.47409      5.70373      9.95861        -0.005097      0.002255      0.002845
     -3.70460      7.84462      9.94604         0.003150      0.003040     -0.003228
     -4.93886      9.98414      9.92703         0.001345     -0.000777     -0.004088
      2.47141      1.42450      9.94458        -0.004616      0.001610     -0.000472
      1.23637      3.56041      9.99730         0.001818      0.005611      0.006934
     -0.02023      5.69652     10.07663         0.002341     -0.005086      0.005419
     -1.23625      7.84644      9.99645         0.005974     -0.003449      0.001239
     -2.46885      9.98500      9.94604        -0.001057     -0.004248     -0.003228
      4.94160      1.42601      9.94446        -0.005121      0.000521     -0.000363
      3.70761      3.55994     10.00664         0.004761     -0.000574      0.005212
      2.48656      5.69708     10.22415         0.002874     -0.001659      0.004183
      1.23364      7.86830     10.07663         0.005575      0.000515      0.005419
      0.00047      9.98980      9.95861        -0.004501      0.003287      0.002845
      7.41040      1.42910      9.93501        -0.000483      0.000141     -0.002962
      6.17438      3.56791      9.95908         0.005041     -0.002910     -0.005130
      4.94790      5.70818     10.00664         0.002878     -0.003836      0.005212
      3.71187      7.84810      9.99730        -0.003950     -0.004380      0.006934
      2.47143      9.98778      9.94310         0.001781      0.006739      0.000245
      9.88111      1.42783      9.91620         0.002386     -0.001377     -0.004143
      8.64465      3.56689      9.93501        -0.000363      0.000348     -0.002962
      7.41293      5.70649      9.94446        -0.003011      0.004174     -0.000363
      6.17914      7.84648      9.94458        -0.003703      0.003193     -0.000472
      4.94247      9.98683      9.91977         0.002783     -0.006097     -0.003401
 -----------------------------------------------------------------------------------
    total drift:                               -0.001809      0.000296     -0.013912


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000037  1 .order   -0.000040   -0.000050   -0.000029
  (g-gl).g = 0.172E-03      g.g   = 0.178E-03  gl.gl    = 0.141E-03
 g(Force)  = 0.173E-03   g(Stress)= 0.499E-05 ortho     = 0.110E-04
 gamma     =   1.22548
 trial     =   0.26303
 opt step  =   0.61213  (harmonic =   0.61213) maximal distance =0.00083126
 next E    =  -470.339223   (d E  =  -0.00006)


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


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  VPU time 5249.35: CPU time 2732.12
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.428   0.164   8.206   8.797
  2        0.629   0.031   0.000   0.661
  3        0.545   0.027   0.000   0.572
  4        0.863   1.781   0.000   2.645
  5        0.863   1.781   0.000   2.644
  6        0.863   1.782   0.000   2.645
  7        0.864   1.784   0.000   2.648
  8        0.864   1.782   0.000   2.646
  9        0.864   1.782   0.000   2.646
 10        0.863   1.782   0.000   2.645
 11        0.863   1.781   0.000   2.643
 12        0.863   1.786   0.000   2.649
 13        0.863   1.782   0.000   2.645
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.772   0.000   2.636
 17        0.850   1.758   0.000   2.608
 18        0.863   1.785   0.000   2.649
 19        0.863   1.782   0.000   2.646
 20        0.863   1.782   0.000   2.645
 21        0.862   1.780   0.000   2.643
 22        0.864   1.771   0.000   2.635
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.863   1.782   0.000   2.645
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.863   1.782   0.000   2.645
 29        0.863   1.782   0.000   2.645
 30        0.863   1.782   0.000   2.645
 31        0.864   1.783   0.000   2.647
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.645
 34        0.863   1.782   0.000   2.646
 35        0.863   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.862   1.780   0.000   2.643
 38        0.863   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.850   1.758   0.000   2.608
 42        0.864   1.772   0.000   2.636
 43        0.864   1.784   0.000   2.648
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.786   0.000   2.649
 47        0.863   1.781   0.000   2.643
 48        0.863   1.782   0.000   2.645
 49        0.863   1.781   0.000   2.645
 50        0.864   1.782   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.863   1.782   0.000   2.645
 53        0.863   1.781   0.000   2.644
------------------------------------------------
tot       44.742  89.253   8.206 142.201
 


 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: -2.844809;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):    74265.660
                            User time (sec):    72150.440
                          System time (sec):     2115.220
                         Elapsed time (sec):    38264.445
  
                   Maximum memory used (kb):           0.
                   Average memory used (kb):           0.
  
                          Minor page faults:   1264594228
                          Major page faults:           11
                 Voluntary context switches:       264259
