 vasp.4.6.27 26Jun05 complex 
 executed on             LinuxIFC date 2012.08.18  14:41:40
 serial version


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


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

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

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

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

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

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

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      8    11.310     5.582    0.36E-04    0.13E-04    0.14E-07
   0      8    11.310    69.432    0.28E-03    0.21E-03    0.12E-06
   1      7    11.310     2.780    0.37E-04    0.49E-04    0.24E-07
   1      7    11.310     4.549    0.27E-03    0.38E-03    0.88E-07
 PAW_PBE Pt 05Jan2001                   :
 energy of atom  1       EATOM= -729.1171
 kinetic energy error for atom=    0.0039 (will be added to EATOM!!)
 PAW_PBE H 15Jun2001                    :
 energy of atom  2       EATOM=  -12.4884
 kinetic energy error for atom=    0.0020 (will be added to EATOM!!)
 PAW_PBE C 08Apr2002                    :
 energy of atom  3       EATOM= -147.1560
 kinetic energy error for atom=    0.0076 (will be added to EATOM!!)
 
 EXHCAR: internal setup
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 
 POSCAR: g55ptB_a_par                            
  positions in direct lattice
  velocities in cartesian coordinates
 


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 ion  position               nearest neighbor table
   1  0.433  0.567  0.617-   3 1.55   2 1.55  41 2.41  17 2.41
   2  0.392  0.608  0.681-   1 1.55
   3  0.475  0.525  0.681-   1 1.55
   4  1.000  0.000  0.499-  53 1.42  29 1.42  33 1.43
   5  1.000  0.200  0.499-  49 1.42  30 1.43  29 1.43
   6  1.000  0.400  0.500-  50 1.42  31 1.42  30 1.43
   7  1.000  0.600  0.499-  51 1.42  32 1.42  31 1.43
   8  1.000  0.800  0.499-  52 1.42  33 1.43  32 1.43
   9  0.200  0.000  0.499-  34 1.42  33 1.43  38 1.43
  10  0.200  0.200  0.500-  35 1.42  29 1.43  34 1.43
  11  0.200  0.400  0.500-  30 1.42  35 1.43  36 1.43
  12  0.200  0.600  0.501-  31 1.42  37 1.43  36 1.43
  13  0.200  0.800  0.500-  38 1.42  32 1.42  37 1.43
  14  0.400  0.000  0.499-  39 1.42  38 1.42  43 1.43
  15  0.400  0.200  0.500-  40 1.42  34 1.42  39 1.43
  16  0.400  0.399  0.502-  40 1.43  35 1.43  41 1.43
  17  0.400  0.600  0.502-  42 1.43  36 1.43  41 1.44   1 2.41
  18  0.400  0.800  0.501-  43 1.42  37 1.43  42 1.43
  19  0.600  0.000  0.500-  44 1.42  43 1.42  48 1.43
  20  0.600  0.200  0.499-  39 1.42  45 1.42  44 1.43
  21  0.600  0.400  0.500-  46 1.43  40 1.43  45 1.43
  22  0.601  0.600  0.502-  46 1.43  47 1.43  41 1.43
  23  0.600  0.800  0.500-  48 1.42  47 1.43  42 1.43
  24  0.800  0.000  0.499-  49 1.42  48 1.43  53 1.43
  25  0.800  0.200  0.499-  44 1.43  50 1.43  49 1.43
  26  0.800  0.400  0.499-  51 1.42  45 1.42  50 1.43
  27  0.800  0.600  0.500-  46 1.42  52 1.42  51 1.43
  28  0.800  0.800  0.500-  47 1.42  53 1.43  52 1.43
  29  0.067  0.133  0.499-   4 1.42  10 1.43   5 1.43
  30  0.067  0.333  0.500-  11 1.42   5 1.43   6 1.43
  31  0.067  0.533  0.500-  12 1.42   6 1.42   7 1.43
  32  0.067  0.733  0.499-   7 1.42  13 1.42   8 1.43
  33  0.067  0.933  0.499-   8 1.43   9 1.43   4 1.43
  34  0.267  0.133  0.500-   9 1.42  15 1.42  10 1.43
  35  0.266  0.333  0.500-  10 1.42  11 1.43  16 1.43
  36  0.266  0.533  0.502-  12 1.43  11 1.43  17 1.43
  37  0.267  0.733  0.500-  12 1.43  18 1.43  13 1.43
  38  0.267  0.933  0.499-  14 1.42  13 1.42   9 1.43
  39  0.467  0.133  0.499-  14 1.42  20 1.42  15 1.43
  40  0.467  0.333  0.501-  15 1.42  21 1.43  16 1.43
  41  0.467  0.533  0.502-  16 1.43  22 1.43  17 1.44   1 2.41
  42  0.467  0.734  0.502-  18 1.43  23 1.43  17 1.43
  43  0.467  0.933  0.500-  18 1.42  19 1.42  14 1.43
  44  0.667  0.133  0.499-  19 1.42  25 1.43  20 1.43
  45  0.667  0.333  0.500-  26 1.42  20 1.42  21 1.43
  46  0.667  0.533  0.501-  27 1.42  21 1.43  22 1.43
  47  0.667  0.734  0.500-  28 1.42  23 1.43  22 1.43
  48  0.667  0.933  0.500-  23 1.42  24 1.43  19 1.43
  49  0.867  0.133  0.499-   5 1.42  24 1.42  25 1.43
  50  0.867  0.333  0.499-   6 1.42  25 1.43  26 1.43
  51  0.867  0.533  0.499-   7 1.42  26 1.42  27 1.43
  52  0.867  0.733  0.500-   8 1.42  27 1.42  28 1.43
  53  0.867  0.933  0.499-   4 1.42  28 1.43  24 1.43
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =    12.3445056188
 B/A-ratio  =     1.7337285806
 C/A-ratio  =     1.6177549947
  
  Lattice vectors:
  
 A1 = (  12.3534739444,  -0.0051739388,   0.0000000000)
 A2 = (  -6.1812243781,  10.6958312743,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  19.9703856222)
 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
  0.016194  0.009358  0.000000      4.000000
  0.032387  0.018717  0.000000      4.000000
  0.016202  0.028062  0.000000      2.000000
  0.032395  0.037420  0.000000      4.000000
 -0.032380 -0.000014  0.000000      4.000000
 -0.016186  0.009345  0.000000      2.000000
  0.032403  0.056124  0.000000      2.000000
 -0.032372  0.018690  0.000000      2.000000
 
 TETIRR: Found     39 inequivalent tetrahedra from      150


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




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


 I would recommend the setting:
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  146
 SYSTEM =  g55pt                                   
 POSCAR =  g55ptB_a_par                            

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

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

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

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

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

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

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

   TIME   =   0.10     timestep for ELM

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

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


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



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


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


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


  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.353473944 -0.005173939  0.000000000     0.080968488  0.046792472  0.000000000
    -6.181224378 10.695831274  0.000000000     0.000039167  0.093517004  0.000000000
     0.000000000  0.000000000 19.970385622     0.000000000  0.000000000  0.050074146

  length of vectors
    12.353475028 12.353474874 19.970385622     0.093517012  0.093517013  0.050074146


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.353473944 -0.005173939  0.000000000     0.080968488  0.046792472  0.000000000
    -6.181224378 10.695831274  0.000000000     0.000039167  0.093517004  0.000000000
     0.000000000  0.000000000 19.970385622     0.000000000  0.000000000  0.050074146

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.01619370  0.00935849  0.00000000       0.160
   0.03238740  0.01871699  0.00000000       0.160
   0.01620153  0.02806190  0.00000000       0.080
   0.03239523  0.03742039  0.00000000       0.160
  -0.03237956 -0.00001359  0.00000000       0.160
  -0.01618586  0.00934491  0.00000000       0.080
   0.03240306  0.05612379  0.00000000       0.080
  -0.03237173  0.01868981  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  0.61736769
   0.39151348  0.60848658  0.68060527
   0.47515320  0.52484681  0.68060527
   0.99997771  0.00002229  0.49938279
   0.99991077  0.19991352  0.49938623
   0.99987904  0.40000180  0.49964093
   0.99994818  0.60003037  0.49949138
   0.99997750  0.80002344  0.49939766
   0.19997658  0.00002250  0.49939766
   0.19986787  0.19992744  0.49955802
   0.19951268  0.39953507  0.50029479
   0.19968071  0.60007360  0.50083734
   0.19994734  0.80005268  0.49970970
   0.39996966  0.00005182  0.49949138
   0.39990340  0.19986324  0.49996153
   0.39964681  0.39928210  0.50191219
   0.39967101  0.60032902  0.50236504
   0.39992643  0.80031930  0.50083734
   0.59999823  0.00012096  0.49964093
   0.59994926  0.20002293  0.49947607
   0.60000199  0.39999804  0.50048493
   0.60071793  0.60035322  0.50191219
   0.60046496  0.80048733  0.50029479
   0.80008650  0.00008923  0.49938623
   0.79997187  0.20002815  0.49938173
   0.79997709  0.40005077  0.49947607
   0.80013677  0.60009663  0.49996153
   0.80007258  0.80013215  0.49955802
   0.06658018  0.13324411  0.49938623
   0.06659410  0.33320121  0.49955802
   0.06652991  0.53323675  0.49996153
   0.06668959  0.73328259  0.49947607
   0.06669482  0.93330519  0.49938173
   0.26666848  0.13321238  0.49964093
   0.26620174  0.33284602  0.50029479
   0.26594878  0.53298017  0.50191219
   0.26666472  0.73333531  0.50048493
   0.26671744  0.93331041  0.49947607
   0.46669702  0.13328152  0.49949138
   0.46674024  0.33301405  0.50083734
   0.46699567  0.53300436  0.50236504
   0.46701986  0.73405125  0.50191219
   0.46676328  0.93347010  0.49996153
   0.66669011  0.13331084  0.49939766
   0.66671935  0.33328068  0.49970970
   0.66698598  0.53325979  0.50083734
   0.66715401  0.73379829  0.50029479
   0.66679882  0.93340590  0.49955802
   0.86668897  0.13331105  0.49938279
   0.86668917  0.33330992  0.49939766
   0.86671850  0.53330301  0.49949138
   0.86678764  0.73333155  0.49964093
   0.86675590  0.93341982  0.49938623
 
 position of ions in cartesian coordinates  (Angst):
   1.85047812  6.05872929 12.32907084
   1.07535951  6.50624408 13.59194972
   2.62559672  5.61121450 13.59194972
  12.35306072 -0.00493537  9.97286685
  11.11666137  2.13306778  9.97293556
   9.87947875  4.27317848  9.97802212
   8.64391142  6.41264995  9.97503547
   7.40807161  8.55174190  9.97316390
   2.47026634 -0.00079402  9.97316390
   1.23326617  2.13735601  9.97636624
  -0.00494116  4.27232742  9.99107989
  -1.24243906  6.41725283 10.00191483
  -2.47526093  8.55619395  9.97939544
   4.94069443 -0.00151515  9.97503547
   3.70479668  2.13563443  9.98442463
   2.46897419  4.26858628 10.02338006
   1.22655702  6.41895004 10.03242365
  -0.00647243  8.55801101 10.00191483
   7.41131478 -0.00181057  9.97802212
   6.17507099  2.13630738  9.97472965
   4.93963127  4.27520720  9.99487697
   3.71003528  6.41816866 10.02338006
   2.46983645  8.55877066  9.99107989
   9.88329616 -0.00318524  9.97293556
   8.64601274  2.13532832  9.97284581
   7.40969256  4.27473648  9.97472965
   6.17513686  6.41439246  9.98442463
   4.93787944  8.55393891  9.97636624
  -0.00111518  1.42481207  9.97293556
  -1.23692293  3.56351935  9.97636624
  -2.47418054  5.70306613  9.98442463
  -3.70873604  7.84272178  9.97472965
  -4.94505613  9.98212978  9.97284581
   2.47086649  1.42343740  9.97802212
   1.23112034  3.55868761  9.99107989
  -0.00907867  5.69928992 10.02338006
  -1.23867448  7.84225107  9.99487697
  -2.47411410  9.98115073  9.97472965
   4.94148646  1.42314198  9.97503547
   3.70742885  3.55944725 10.00191483
   2.47439922  5.69850854 10.03242365
   1.23198224  7.84887199 10.02338006
  -0.00384016  9.98182367  9.98442463
   7.41191474  1.42242085  9.97316390
   6.17621754  3.56126431  9.97939544
   4.94339548  5.70020575 10.00191483
   3.70589777  7.84513085  9.99107989
   2.46769054  9.98010209  9.97636624
   9.88259412  1.42138825  9.97286685
   8.64635876  3.56054242  9.97316390
   7.41051877  5.69963470  9.97503547
   6.17495162  7.83910585  9.97802212
   4.93776909  9.97921638  9.97293556
 


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


 k-point  1 :  0.00000.00000.0000  plane waves:  66977
 k-point  2 :  0.20000.00000.0000  plane waves:  67029
 k-point  3 :  0.40000.00000.0000  plane waves:  66971
 k-point  4 :  0.20000.20000.0000  plane waves:  66951
 k-point  5 :  0.40000.20000.0000  plane waves:  66936
 k-point  6 :  -.40000.20000.0000  plane waves:  66954
 k-point  7 :  -.20000.20000.0000  plane waves:  67039
 k-point  8 :  0.40000.40000.0000  plane waves:  66942
 k-point  9 :  -.40000.40000.0000  plane waves:  66967

 maximum number of plane-waves:  67039
 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 3086.16 MBYTES are necessary
 For predicting wavefunctions  776.22 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         5211
 Maximum index for augmentation-charges        12231 (set IRDMAX)


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


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

    FEWALD:  VPU time    0.02: CPU time    0.02


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


    POTLOK:  VPU time    9.10: CPU time    9.10
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1868.96: CPU time  965.09
 BZINTS: Fermi energy: -3.085768;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   57.36
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1992.15: CPU time 1032.06

 eigenvalue-minimisations  :  6368
 total energy-change (2. order) :-0.4706864E+03  (-0.3772187E+02)
 number of electron  212.0000015 magnetization    0.0000000
 augmentation part     7.9066033 magnetization   -0.0000414

 Broyden mixing:
  rms(total) = 0.13178E+00    rms(broyden)= 0.13174E+00
  rms(prec ) = 0.15992E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40916.48915946
  -V(xc)+E(xc)   XCENC  =       726.47920895
  PAW double counting   =      4075.46866223    -4114.17287474
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.25363466
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.68636961 eV

  energy without entropy =     -470.68636961  energy(sigma->0) =     -470.68636961


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




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


    POTLOK:  VPU time    8.43: CPU time    8.43
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1914.85: CPU time  986.01
 BZINTS: Fermi energy: -3.174249;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.72: CPU time   57.97
    MIXING:  VPU time    0.16: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 2038.56: CPU time 1052.94

 eigenvalue-minimisations  :  6592
 total energy-change (2. order) :-0.1023094E+01  (-0.1162255E+01)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9501114 magnetization   -0.0000116

 Broyden mixing:
  rms(total) = 0.61104E-01    rms(broyden)= 0.61091E-01
  rms(prec ) = 0.73213E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3242
  1.3242

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40910.80984862
  -V(xc)+E(xc)   XCENC  =       726.31001901
  PAW double counting   =      4073.93541721    -4112.41468232
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2472.01179719
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.70946384 eV

  energy without entropy =     -471.70946384  energy(sigma->0) =     -471.70946384


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




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


    POTLOK:  VPU time    8.97: CPU time    8.97
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 2251.44: CPU time 1159.91
 BZINTS: Fermi energy: -3.151648;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.51: CPU time   57.96
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 2375.47: CPU time 1227.37

 eigenvalue-minimisations  :  8104
 total energy-change (2. order) :-0.1015833E-01  (-0.4622495E-01)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9566803 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.14599E-01    rms(broyden)= 0.14595E-01
  rms(prec ) = 0.18662E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2903
  1.4843  1.0963

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40910.98585328
  -V(xc)+E(xc)   XCENC  =       726.38124731
  PAW double counting   =      4083.32032343    -4121.69779540
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2472.01897230
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.71962217 eV

  energy without entropy =     -471.71962217  energy(sigma->0) =     -471.71962217


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




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


    POTLOK:  VPU time    8.98: CPU time    8.98
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2124.73: CPU time 1092.71
 BZINTS: Fermi energy: -3.188634;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.65: CPU time   57.97
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2248.94: CPU time 1160.22

 eigenvalue-minimisations  :  7512
 total energy-change (2. order) :-0.7296566E-03  (-0.2300648E-02)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9543586 magnetization   -0.0000008

 Broyden mixing:
  rms(total) = 0.10544E-01    rms(broyden)= 0.10544E-01
  rms(prec ) = 0.13063E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3279
  1.1229  1.4304  1.4304

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40911.03943896
  -V(xc)+E(xc)   XCENC  =       726.40589636
  PAW double counting   =      4087.00717151    -4125.35102378
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2472.02438503
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72035182 eV

  energy without entropy =     -471.72035182  energy(sigma->0) =     -471.72035182


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




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


    POTLOK:  VPU time    8.96: CPU time    8.96
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2016.13: CPU time 1039.33
 BZINTS: Fermi energy: -3.193742;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.04: CPU time   58.12
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 2140.65: CPU time 1106.93

 eigenvalue-minimisations  :  7024
 total energy-change (2. order) :-0.1371905E-03  (-0.1235238E-03)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9551293 magnetization    0.0000003

 Broyden mixing:
  rms(total) = 0.47832E-02    rms(broyden)= 0.47831E-02
  rms(prec ) = 0.69254E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5057
  2.3090  1.7324  0.9268  1.0546

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40910.73703593
  -V(xc)+E(xc)   XCENC  =       726.41421582
  PAW double counting   =      4088.86573014    -4127.18924508
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2472.35558205
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72048901 eV

  energy without entropy =     -471.72048901  energy(sigma->0) =     -471.72048901


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




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


    POTLOK:  VPU time    8.61: CPU time    8.61
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1700.07: CPU time  879.03
 BZINTS: Fermi energy: -3.200722;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.95: CPU time   58.10
    MIXING:  VPU time    0.21: CPU time    0.21
    ------------------------------------------
      LOOP:  VPU time 1824.26: CPU time  946.33

 eigenvalue-minimisations  :  5600
 total energy-change (2. order) :-0.7009465E-03  (-0.3290398E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9543303 magnetization    0.0000004

 Broyden mixing:
  rms(total) = 0.21613E-02    rms(broyden)= 0.21612E-02
  rms(prec ) = 0.36186E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4420
  2.3639  1.8165  1.0224  1.0036  1.0036

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40910.33764664
  -V(xc)+E(xc)   XCENC  =       726.41737388
  PAW double counting   =      4090.19635395    -4128.50428037
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2472.77441885
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72118996 eV

  energy without entropy =     -471.72118996  energy(sigma->0) =     -471.72118996


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




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


    POTLOK:  VPU time    9.00: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1452.76: CPU time  750.12
 BZINTS: Fermi energy: -3.204795;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.32: CPU time   57.22
    MIXING:  VPU time    0.23: CPU time    0.23
    ------------------------------------------
      LOOP:  VPU time 1575.71: CPU time  816.94

 eigenvalue-minimisations  :  4448
 total energy-change (2. order) :-0.6046518E-03  (-0.6262462E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9546809 magnetization   -0.0000005

 Broyden mixing:
  rms(total) = 0.15283E-02    rms(broyden)= 0.15282E-02
  rms(prec ) = 0.26742E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5947
  2.9977  2.1244  1.3029  1.3029  1.0334  0.8071

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40910.02166518
  -V(xc)+E(xc)   XCENC  =       726.41346818
  PAW double counting   =      4090.07576228    -4128.38329734
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2473.08749062
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72179461 eV

  energy without entropy =     -471.72179461  energy(sigma->0) =     -471.72179461


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




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


    POTLOK:  VPU time    9.02: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1640.24: CPU time  845.31
 BZINTS: Fermi energy: -3.136413;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.78: CPU time   56.67
    MIXING:  VPU time    0.25: CPU time    0.25
    ------------------------------------------
      LOOP:  VPU time 1761.69: CPU time  911.63

 eigenvalue-minimisations  :  5312
 total energy-change (2. order) :-0.1030648E-02  (-0.1825687E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9545432 magnetization    0.0000014

 Broyden mixing:
  rms(total) = 0.91041E-03    rms(broyden)= 0.91033E-03
  rms(prec ) = 0.14082E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6099
  3.2119  2.3965  1.4379  1.4379  0.7997  0.9927  0.9927

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40909.44211556
  -V(xc)+E(xc)   XCENC  =       726.40731030
  PAW double counting   =      4089.95708149    -4128.26410886
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2473.66242070
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72282526 eV

  energy without entropy =     -471.72282526  energy(sigma->0) =     -471.72282526


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




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


    POTLOK:  VPU time    9.00: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1438.58: CPU time  743.57
 BZINTS: Fermi energy: -3.140534;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.70: CPU time   57.09
    MIXING:  VPU time    0.27: CPU time    0.27
    ------------------------------------------
      LOOP:  VPU time 1560.96: CPU time  810.30

 eigenvalue-minimisations  :  4392
 total energy-change (2. order) :-0.4613781E-03  (-0.3143151E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9543914 magnetization   -0.0000021

 Broyden mixing:
  rms(total) = 0.52467E-03    rms(broyden)= 0.52466E-03
  rms(prec ) = 0.86419E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7111
  4.1415  2.5437  1.5312  1.4328  1.1708  1.1708  0.8490  0.8490

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40909.20174373
  -V(xc)+E(xc)   XCENC  =       726.40485675
  PAW double counting   =      4089.83124216    -4128.14076818
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2473.89830171
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72328664 eV

  energy without entropy =     -471.72328664  energy(sigma->0) =     -471.72328664


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




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


    POTLOK:  VPU time    8.79: CPU time    8.79
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1429.28: CPU time  738.09
 BZINTS: Fermi energy: -3.144258;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.13: CPU time   57.11
    MIXING:  VPU time    0.21: CPU time    0.21
    ------------------------------------------
      LOOP:  VPU time 1551.74: CPU time  804.52

 eigenvalue-minimisations  :  4352
 total energy-change (2. order) :-0.3060805E-03  (-0.3499150E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9546439 magnetization    0.0000042

 Broyden mixing:
  rms(total) = 0.33607E-03    rms(broyden)= 0.33606E-03
  rms(prec ) = 0.51231E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7547
  5.0441  2.6163  1.7833  1.4425  1.4425  1.0584  0.9297  0.8274  0.6482

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40908.97768060
  -V(xc)+E(xc)   XCENC  =       726.40339224
  PAW double counting   =      4089.85263157    -4128.16261002
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.12075399
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72359272 eV

  energy without entropy =     -471.72359272  energy(sigma->0) =     -471.72359272


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




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


    POTLOK:  VPU time    8.46: CPU time    8.45
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1457.83: CPU time  752.51
 BZINTS: Fermi energy: -3.146029;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.33: CPU time   56.65
    MIXING:  VPU time    0.31: CPU time    0.31
    ------------------------------------------
      LOOP:  VPU time 1579.32: CPU time  818.30

 eigenvalue-minimisations  :  4456
 total energy-change (2. order) :-0.1098638E-03  (-0.8073700E-06)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9545223 magnetization   -0.0000031

 Broyden mixing:
  rms(total) = 0.23245E-03    rms(broyden)= 0.23245E-03
  rms(prec ) = 0.36161E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8825
  6.0298  2.7725  2.2843  1.6309  1.3094  1.3094  1.0195  1.0195  0.8288  0.6213

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40908.90270888
  -V(xc)+E(xc)   XCENC  =       726.40320273
  PAW double counting   =      4089.86767067    -4128.17791147
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.19538370
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72370258 eV

  energy without entropy =     -471.72370258  energy(sigma->0) =     -471.72370258


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




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


    POTLOK:  VPU time    9.00: CPU time    9.00
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1427.33: CPU time  735.85
 BZINTS: Fermi energy: -3.148112;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.27: CPU time   56.55
    MIXING:  VPU time    0.34: CPU time    0.33
    ------------------------------------------
      LOOP:  VPU time 1549.37: CPU time  802.11

 eigenvalue-minimisations  :  4320
 total energy-change (2. order) :-0.1229257E-03  (-0.9440104E-06)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9546144 magnetization    0.0000015

 Broyden mixing:
  rms(total) = 0.12898E-03    rms(broyden)= 0.12897E-03
  rms(prec ) = 0.18904E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9398
  6.5310  3.3936  2.2990  1.7548  1.4709  1.4709  1.1074  0.6163  0.9407  0.9407
  0.8124

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40908.79823601
  -V(xc)+E(xc)   XCENC  =       726.40304678
  PAW double counting   =      4089.90765136    -4128.21785529
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.29986042
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72382551 eV

  energy without entropy =     -471.72382551  energy(sigma->0) =     -471.72382551


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




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


    POTLOK:  VPU time    9.04: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1432.95: CPU time  738.24
 BZINTS: Fermi energy: -3.151926;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1442.39: CPU time  747.66

 eigenvalue-minimisations  :  4344
 total energy-change (2. order) :-0.3705281E-04  (-0.3170537E-06)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9546144 magnetization    0.0000015

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34017.84157448
  -1/2 Hartree   DENC   =    -40908.74461653
  -V(xc)+E(xc)   XCENC  =       726.40277525
  PAW double counting   =      4089.90380735    -4128.21392805
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.35332866
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72386256 eV

  energy without entropy =     -471.72386256  energy(sigma->0) =     -471.72386256


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2094       2 -39.5353       3 -39.5354       4 -58.3186       5 -58.3222
       6 -58.3246       7 -58.3197       8 -58.3199       9 -58.3199      10 -58.3259
      11 -58.3918      12 -58.3563      13 -58.3277      14 -58.3197      15 -58.3292
      16 -58.5452      17 -58.7315      18 -58.3563      19 -58.3246      20 -58.3246
      21 -58.3625      22 -58.5452      23 -58.3918      24 -58.3222      25 -58.3276
      26 -58.3246      27 -58.3292      28 -58.3259      29 -58.3221      30 -58.3258
      31 -58.3290      32 -58.3245      33 -58.3275      34 -58.3245      35 -58.3916
      36 -58.5451      37 -58.3624      38 -58.3245      39 -58.3195      40 -58.3561
      41 -58.7314      42 -58.5451      43 -58.3291      44 -58.3198      45 -58.3276
      46 -58.3562      47 -58.3917      48 -58.3258      49 -58.3185      50 -58.3198
      51 -58.3195      52 -58.3246      53 -58.3221
 
 
 
 E-fermi :  -3.1519     XC(G=0):  -2.3549     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     -22.4202      1.00000
      2     -21.5980      1.00000
      3     -21.4762      1.00000
      4     -21.4671      1.00000
      5     -21.4343      1.00000
      6     -21.4336      1.00000
      7     -21.4236      1.00000
      8     -19.7024      1.00000
      9     -19.6495      1.00000
     10     -19.6237      1.00000
     11     -19.6156      1.00000
     12     -19.6077      1.00000
     13     -19.6065      1.00000
     14     -18.7833      1.00000
     15     -18.7543      1.00000
     16     -18.7280      1.00000
     17     -18.7201      1.00000
     18     -18.7177      1.00000
     19     -18.7082      1.00000
     20     -16.6251      1.00000
     21     -16.6207      1.00000
     22     -16.5914      1.00000
     23     -16.5713      1.00000
     24     -16.5546      1.00000
     25     -16.5452      1.00000
     26     -15.6060      1.00000
     27     -15.6036      1.00000
     28     -15.5966      1.00000
     29     -15.5676      1.00000
     30     -15.5665      1.00000
     31     -15.5427      1.00000
     32     -14.2569      1.00000
     33     -14.2482      1.00000
     34     -14.2398      1.00000
     35     -14.2335      1.00000
     36     -14.2198      1.00000
     37     -14.2168      1.00000
     38     -11.8999      1.00000
     39     -11.8836      1.00000
     40     -11.8825      1.00000
     41     -11.8578      1.00000
     42     -11.8483      1.00000
     43     -11.8380      1.00000
     44     -11.7691      1.00000
     45     -11.7658      1.00000
     46     -11.7328      1.00000
     47     -11.7262      1.00000
     48     -11.7210      1.00000
     49     -11.7195      1.00000
     50     -10.6689      1.00000
     51     -10.3888      1.00000
     52     -10.3821      1.00000
     53     -10.3815      1.00000
     54     -10.3614      1.00000
     55     -10.3523      1.00000
     56     -10.3488      1.00000
     57      -9.8977      1.00000
     58      -9.4459      1.00000
     59      -9.4009      1.00000
     60      -9.3576      1.00000
     61      -9.3569      1.00000
     62      -9.3494      1.00000
     63      -9.1431      1.00000
     64      -9.1238      1.00000
     65      -9.1199      1.00000
     66      -9.0864      1.00000
     67      -9.0710      1.00000
     68      -9.0705      1.00000
     69      -9.0695      1.00000
     70      -9.0667      1.00000
     71      -9.0610      1.00000
     72      -9.0402      1.00000
     73      -9.0282      1.00000
     74      -9.0271      1.00000
     75      -8.1319      1.00000
     76      -7.7332      1.00000
     77      -7.4731      1.00000
     78      -7.4656      1.00000
     79      -7.4556      1.00000
     80      -7.4350      1.00000
     81      -7.4231      1.00000
     82      -7.4071      1.00000
     83      -7.3072      1.00000
     84      -7.2707      1.00000
     85      -7.2528      1.00000
     86      -7.2473      1.00000
     87      -7.1527      1.00000
     88      -7.0443      1.00000
     89      -6.4425      1.00000
     90      -6.4080      1.00000
     91      -6.3940      1.00000
     92      -6.3698      1.00000
     93      -6.3561      1.00000
     94      -6.3385      1.00000
     95      -5.9773      1.00000
     96      -5.9446      1.00000
     97      -4.7932      1.00000
     98      -4.5427      1.00000
     99      -4.4946      1.00000
    100      -4.4638      1.00000
    101      -4.3919      1.00000
    102      -4.3767      1.00000
    103      -4.2630      1.00000
    104      -4.1839      1.00000
    105      -3.7348      1.00000
    106      -3.4713      1.00000
    107      -1.8691      0.00000
    108      -1.6642      0.00000
    109      -1.6256      0.00000
    110      -1.6026      0.00000
    111      -1.5832      0.00000
    112      -1.5722      0.00000
    113      -0.4337      0.00000
    114       0.1435      0.00000
    115       0.1845      0.00000
    116       0.2473      0.00000
    117       0.2642      0.00000
    118       0.2685      0.00000
    119       0.4668      0.00000
    120       0.5494      0.00000
    121       1.2445      0.00000
    122       1.2892      0.00000
    123       1.5255      0.00000
    124       1.7702      0.00000
    125       1.7736      0.00000
    126       1.7750      0.00000
    127       1.7780      0.00000
    128       1.8273      0.00000
    129       1.9441      0.00000
    130       1.9662      0.00000
    131       1.9708      0.00000
    132       1.9774      0.00000
    133       1.9920      0.00000
    134       2.0759      0.00000
    135       2.2492      0.00000
    136       2.3288      0.00000
    137       2.6057      0.00000
    138       2.6115      0.00000
    139       2.6362      0.00000
    140       2.7006      0.00000
    141       2.9262      0.00000
    142       3.0353      0.00000
    143       3.0373      0.00000
    144       3.0502      0.00000
    145       3.0517      0.00000
    146       3.0591      0.00000
    147       3.1192      0.00000
    148       3.2685      0.00000
    149       3.4288      0.00000
    150       3.5097      0.00000
    151       3.8235      0.00000
    152       3.9247      0.00000
    153       3.9316      0.00000
    154       3.9374      0.00000
    155       3.9570      0.00000
    156       4.0043      0.00000
    157       4.1970      0.00000
    158       4.2648      0.00000
    159       4.2760      0.00000
    160       4.2799      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3835      1.00000
      2     -21.8245      1.00000
      3     -21.6327      1.00000
      4     -21.6046      1.00000
      5     -21.2696      1.00000
      6     -21.2293      1.00000
      7     -21.0505      1.00000
      8     -20.1628      1.00000
      9     -20.1237      1.00000
     10     -19.6054      1.00000
     11     -19.5946      1.00000
     12     -19.4110      1.00000
     13     -19.0842      1.00000
     14     -19.0593      1.00000
     15     -19.0439      1.00000
     16     -19.0362      1.00000
     17     -18.3594      1.00000
     18     -18.3484      1.00000
     19     -18.0123      1.00000
     20     -17.0639      1.00000
     21     -17.0241      1.00000
     22     -16.9495      1.00000
     23     -16.9331      1.00000
     24     -16.4742      1.00000
     25     -16.4636      1.00000
     26     -15.6120      1.00000
     27     -15.5996      1.00000
     28     -15.2467      1.00000
     29     -15.2334      1.00000
     30     -15.1838      1.00000
     31     -15.0997      1.00000
     32     -15.0713      1.00000
     33     -14.6974      1.00000
     34     -14.6926      1.00000
     35     -13.7238      1.00000
     36     -13.7210      1.00000
     37     -13.2347      1.00000
     38     -12.6190      1.00000
     39     -12.5856      1.00000
     40     -12.4517      1.00000
     41     -12.4484      1.00000
     42     -12.1033      1.00000
     43     -12.0987      1.00000
     44     -11.7150      1.00000
     45     -11.6842      1.00000
     46     -11.2425      1.00000
     47     -11.2269      1.00000
     48     -11.0150      1.00000
     49     -11.0071      1.00000
     50     -10.9219      1.00000
     51     -10.9005      1.00000
     52     -10.6236      1.00000
     53     -10.1578      1.00000
     54     -10.1550      1.00000
     55     -10.0930      1.00000
     56      -9.9935      1.00000
     57      -9.6996      1.00000
     58      -9.6903      1.00000
     59      -9.6491      1.00000
     60      -9.5927      1.00000
     61      -9.5747      1.00000
     62      -9.5581      1.00000
     63      -9.3056      1.00000
     64      -9.3015      1.00000
     65      -9.2712      1.00000
     66      -9.2365      1.00000
     67      -9.1320      1.00000
     68      -9.1133      1.00000
     69      -9.1116      1.00000
     70      -8.9344      1.00000
     71      -8.8724      1.00000
     72      -8.6022      1.00000
     73      -8.5885      1.00000
     74      -8.2352      1.00000
     75      -8.1058      1.00000
     76      -7.9071      1.00000
     77      -7.8627      1.00000
     78      -7.7743      1.00000
     79      -7.7545      1.00000
     80      -7.6902      1.00000
     81      -7.5532      1.00000
     82      -7.3454      1.00000
     83      -7.3266      1.00000
     84      -7.2048      1.00000
     85      -7.1206      1.00000
     86      -7.0278      1.00000
     87      -7.0097      1.00000
     88      -6.6998      1.00000
     89      -6.6803      1.00000
     90      -6.6365      1.00000
     91      -6.5976      1.00000
     92      -6.1284      1.00000
     93      -6.0550      1.00000
     94      -6.0254      1.00000
     95      -6.0187      1.00000
     96      -5.7753      1.00000
     97      -4.9636      1.00000
     98      -4.8406      1.00000
     99      -4.7446      1.00000
    100      -4.6722      1.00000
    101      -4.4615      1.00000
    102      -4.1994      1.00000
    103      -4.1836      1.00000
    104      -4.1262      1.00000
    105      -3.7264      1.00000
    106      -3.4815      1.00000
    107      -1.8747      0.00000
    108      -1.7995      0.00000
    109      -1.5316      0.00000
    110      -1.3714      0.00000
    111      -1.3323      0.00000
    112      -1.2960      0.00000
    113      -0.7278      0.00000
    114      -0.3833      0.00000
    115      -0.2487      0.00000
    116       0.0278      0.00000
    117       0.5545      0.00000
    118       0.6986      0.00000
    119       0.7398      0.00000
    120       1.0459      0.00000
    121       1.0837      0.00000
    122       1.1480      0.00000
    123       1.2203      0.00000
    124       1.3751      0.00000
    125       1.5186      0.00000
    126       1.5792      0.00000
    127       1.7128      0.00000
    128       1.8019      0.00000
    129       1.8510      0.00000
    130       1.8787      0.00000
    131       2.0851      0.00000
    132       2.1860      0.00000
    133       2.2366      0.00000
    134       2.2998      0.00000
    135       2.5091      0.00000
    136       2.5811      0.00000
    137       2.6239      0.00000
    138       2.7529      0.00000
    139       2.7770      0.00000
    140       2.8094      0.00000
    141       2.8346      0.00000
    142       2.8991      0.00000
    143       2.9377      0.00000
    144       3.0815      0.00000
    145       3.1517      0.00000
    146       3.2959      0.00000
    147       3.3529      0.00000
    148       3.4034      0.00000
    149       3.4596      0.00000
    150       3.6019      0.00000
    151       3.6346      0.00000
    152       3.6421      0.00000
    153       3.7060      0.00000
    154       3.9050      0.00000
    155       3.9509      0.00000
    156       4.0124      0.00000
    157       4.0581      0.00000
    158       4.2257      0.00000
    159       4.2508      0.00000
    160       4.2676      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2777      1.00000
      2     -22.0716      1.00000
      3     -21.7113      1.00000
      4     -21.6790      1.00000
      5     -20.9744      1.00000
      6     -20.9330      1.00000
      7     -20.6065      1.00000
      8     -20.5696      1.00000
      9     -20.5629      1.00000
     10     -20.0264      1.00000
     11     -19.5005      1.00000
     12     -19.4889      1.00000
     13     -19.3041      1.00000
     14     -19.2980      1.00000
     15     -18.4430      1.00000
     16     -18.4051      1.00000
     17     -17.9212      1.00000
     18     -17.9097      1.00000
     19     -17.7569      1.00000
     20     -17.7197      1.00000
     21     -17.4374      1.00000
     22     -17.4240      1.00000
     23     -17.3323      1.00000
     24     -16.4669      1.00000
     25     -16.4636      1.00000
     26     -15.9675      1.00000
     27     -15.4122      1.00000
     28     -15.4042      1.00000
     29     -15.0950      1.00000
     30     -15.0892      1.00000
     31     -14.8471      1.00000
     32     -14.8381      1.00000
     33     -14.2926      1.00000
     34     -14.2571      1.00000
     35     -13.4401      1.00000
     36     -13.4043      1.00000
     37     -13.1743      1.00000
     38     -13.1708      1.00000
     39     -12.9800      1.00000
     40     -12.9753      1.00000
     41     -12.6088      1.00000
     42     -12.6057      1.00000
     43     -12.1974      1.00000
     44     -11.5740      1.00000
     45     -11.5401      1.00000
     46     -11.3069      1.00000
     47     -11.2839      1.00000
     48     -11.1425      1.00000
     49     -10.6776      1.00000
     50     -10.6649      1.00000
     51     -10.5472      1.00000
     52     -10.3200      1.00000
     53     -10.3160      1.00000
     54     -10.1655      1.00000
     55     -10.1230      1.00000
     56     -10.1090      1.00000
     57      -9.7943      1.00000
     58      -9.7627      1.00000
     59      -9.7526      1.00000
     60      -9.7009      1.00000
     61      -9.6953      1.00000
     62      -9.6576      1.00000
     63      -9.3538      1.00000
     64      -9.3524      1.00000
     65      -9.3166      1.00000
     66      -9.0349      1.00000
     67      -8.9663      1.00000
     68      -8.9393      1.00000
     69      -8.7951      1.00000
     70      -8.5935      1.00000
     71      -8.5553      1.00000
     72      -8.3941      1.00000
     73      -8.3594      1.00000
     74      -8.3227      1.00000
     75      -8.3035      1.00000
     76      -8.2559      1.00000
     77      -8.2510      1.00000
     78      -8.2352      1.00000
     79      -7.9031      1.00000
     80      -7.6483      1.00000
     81      -7.5414      1.00000
     82      -7.3955      1.00000
     83      -7.3573      1.00000
     84      -7.2382      1.00000
     85      -7.0974      1.00000
     86      -7.0391      1.00000
     87      -6.9324      1.00000
     88      -6.8483      1.00000
     89      -6.6087      1.00000
     90      -6.5683      1.00000
     91      -6.2646      1.00000
     92      -6.0382      1.00000
     93      -5.9474      1.00000
     94      -5.6552      1.00000
     95      -5.6326      1.00000
     96      -5.4559      1.00000
     97      -5.3096      1.00000
     98      -5.2777      1.00000
     99      -5.2062      1.00000
    100      -5.2034      1.00000
    101      -4.5003      1.00000
    102      -4.2030      1.00000
    103      -4.0617      1.00000
    104      -3.9956      1.00000
    105      -3.6931      1.00000
    106      -3.4922      1.00000
    107      -1.9425      0.00000
    108      -1.8932      0.00000
    109      -1.3444      0.00000
    110      -1.0944      0.00000
    111      -1.0525      0.00000
    112      -0.8094      0.00000
    113      -0.6732      0.00000
    114      -0.6575      0.00000
    115      -0.6153      0.00000
    116      -0.1173      0.00000
    117       0.2084      0.00000
    118       0.3176      0.00000
    119       0.6947      0.00000
    120       0.8858      0.00000
    121       1.1233      0.00000
    122       1.1944      0.00000
    123       1.3250      0.00000
    124       1.4205      0.00000
    125       1.5517      0.00000
    126       1.5729      0.00000
    127       1.6753      0.00000
    128       1.8038      0.00000
    129       1.8835      0.00000
    130       2.0427      0.00000
    131       2.0861      0.00000
    132       2.3069      0.00000
    133       2.3462      0.00000
    134       2.4001      0.00000
    135       2.5445      0.00000
    136       2.6334      0.00000
    137       2.7049      0.00000
    138       2.7347      0.00000
    139       2.7978      0.00000
    140       2.8828      0.00000
    141       3.0407      0.00000
    142       3.0565      0.00000
    143       3.1673      0.00000
    144       3.2547      0.00000
    145       3.3549      0.00000
    146       3.3984      0.00000
    147       3.4235      0.00000
    148       3.5509      0.00000
    149       3.5722      0.00000
    150       3.5860      0.00000
    151       3.6454      0.00000
    152       3.6694      0.00000
    153       3.7684      0.00000
    154       3.7846      0.00000
    155       3.7971      0.00000
    156       3.8813      0.00000
    157       3.9162      0.00000
    158       3.9892      0.00000
    159       4.2095      0.00000
    160       4.2373      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3115      1.00000
      2     -21.9571      1.00000
      3     -21.8873      1.00000
      4     -21.3759      1.00000
      5     -21.3470      1.00000
      6     -20.8334      1.00000
      7     -20.7676      1.00000
      8     -20.6172      1.00000
      9     -20.0746      1.00000
     10     -20.0693      1.00000
     11     -19.7111      1.00000
     12     -19.6868      1.00000
     13     -18.9931      1.00000
     14     -18.9876      1.00000
     15     -18.6413      1.00000
     16     -18.6253      1.00000
     17     -18.4537      1.00000
     18     -17.6668      1.00000
     19     -17.6170      1.00000
     20     -17.6139      1.00000
     21     -17.5709      1.00000
     22     -17.1273      1.00000
     23     -17.1039      1.00000
     24     -16.9757      1.00000
     25     -16.0169      1.00000
     26     -15.9117      1.00000
     27     -15.5859      1.00000
     28     -15.5858      1.00000
     29     -15.2666      1.00000
     30     -14.8689      1.00000
     31     -14.8414      1.00000
     32     -14.5734      1.00000
     33     -14.5300      1.00000
     34     -14.1653      1.00000
     35     -14.1506      1.00000
     36     -13.1636      1.00000
     37     -13.0983      1.00000
     38     -13.0235      1.00000
     39     -13.0133      1.00000
     40     -12.7067      1.00000
     41     -12.7028      1.00000
     42     -12.3424      1.00000
     43     -12.3098      1.00000
     44     -11.6318      1.00000
     45     -11.6189      1.00000
     46     -11.5575      1.00000
     47     -10.9467      1.00000
     48     -10.9127      1.00000
     49     -10.6307      1.00000
     50     -10.6291      1.00000
     51     -10.5463      1.00000
     52     -10.5035      1.00000
     53     -10.5021      1.00000
     54     -10.4557      1.00000
     55     -10.3564      1.00000
     56     -10.0938      1.00000
     57      -9.8984      1.00000
     58      -9.6065      1.00000
     59      -9.5523      1.00000
     60      -9.4515      1.00000
     61      -9.4125      1.00000
     62      -9.4042      1.00000
     63      -9.3788      1.00000
     64      -9.3779      1.00000
     65      -9.2846      1.00000
     66      -9.1624      1.00000
     67      -9.1380      1.00000
     68      -9.0992      1.00000
     69      -8.8653      1.00000
     70      -8.8589      1.00000
     71      -8.8105      1.00000
     72      -8.5905      1.00000
     73      -8.4740      1.00000
     74      -8.1953      1.00000
     75      -8.1596      1.00000
     76      -8.0088      1.00000
     77      -7.9593      1.00000
     78      -7.8578      1.00000
     79      -7.8477      1.00000
     80      -7.7047      1.00000
     81      -7.6979      1.00000
     82      -7.6238      1.00000
     83      -7.4419      1.00000
     84      -7.3009      1.00000
     85      -7.2447      1.00000
     86      -6.9095      1.00000
     87      -6.8954      1.00000
     88      -6.5882      1.00000
     89      -6.5493      1.00000
     90      -6.4249      1.00000
     91      -6.2617      1.00000
     92      -6.2404      1.00000
     93      -6.1909      1.00000
     94      -6.0135      1.00000
     95      -5.5406      1.00000
     96      -5.4791      1.00000
     97      -5.3394      1.00000
     98      -5.2095      1.00000
     99      -4.9966      1.00000
    100      -4.7281      1.00000
    101      -4.6786      1.00000
    102      -4.3848      1.00000
    103      -4.1981      1.00000
    104      -3.8699      1.00000
    105      -3.5589      1.00000
    106      -3.5031      1.00000
    107      -2.2438      0.00000
    108      -1.4573      0.00000
    109      -1.3627      0.00000
    110      -1.2416      0.00000
    111      -1.1038      0.00000
    112      -0.9559      0.00000
    113      -0.8768      0.00000
    114      -0.8181      0.00000
    115      -0.1478      0.00000
    116       0.1111      0.00000
    117       0.2393      0.00000
    118       0.3641      0.00000
    119       0.6533      0.00000
    120       0.8332      0.00000
    121       0.9333      0.00000
    122       1.0615      0.00000
    123       1.2346      0.00000
    124       1.4415      0.00000
    125       1.5476      0.00000
    126       1.7594      0.00000
    127       1.7852      0.00000
    128       1.8664      0.00000
    129       1.9723      0.00000
    130       2.0208      0.00000
    131       2.1719      0.00000
    132       2.1765      0.00000
    133       2.4165      0.00000
    134       2.4174      0.00000
    135       2.5142      0.00000
    136       2.5995      0.00000
    137       2.6345      0.00000
    138       2.6995      0.00000
    139       2.7648      0.00000
    140       2.8314      0.00000
    141       2.9500      0.00000
    142       3.0576      0.00000
    143       3.1754      0.00000
    144       3.2014      0.00000
    145       3.2404      0.00000
    146       3.3160      0.00000
    147       3.3243      0.00000
    148       3.4555      0.00000
    149       3.5005      0.00000
    150       3.6843      0.00000
    151       3.7116      0.00000
    152       3.7136      0.00000
    153       3.8503      0.00000
    154       3.8965      0.00000
    155       3.9279      0.00000
    156       3.9654      0.00000
    157       3.9721      0.00000
    158       4.0446      0.00000
    159       4.0617      0.00000
    160       4.0670      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2051      1.00000
      2     -22.1109      1.00000
      3     -21.9509      1.00000
      4     -21.3992      1.00000
      5     -21.0440      1.00000
      6     -21.0085      1.00000
      7     -20.4955      1.00000
      8     -20.4565      1.00000
      9     -20.2885      1.00000
     10     -20.2697      1.00000
     11     -19.9545      1.00000
     12     -19.8877      1.00000
     13     -18.8810      1.00000
     14     -18.8111      1.00000
     15     -18.3469      1.00000
     16     -18.3019      1.00000
     17     -18.1504      1.00000
     18     -18.1321      1.00000
     19     -17.8213      1.00000
     20     -17.7849      1.00000
     21     -17.2549      1.00000
     22     -17.2404      1.00000
     23     -17.1553      1.00000
     24     -17.1335      1.00000
     25     -16.1119      1.00000
     26     -15.8808      1.00000
     27     -15.8654      1.00000
     28     -15.8381      1.00000
     29     -15.2275      1.00000
     30     -14.5542      1.00000
     31     -14.5260      1.00000
     32     -14.2719      1.00000
     33     -13.9673      1.00000
     34     -13.9535      1.00000
     35     -13.8271      1.00000
     36     -13.8037      1.00000
     37     -13.6098      1.00000
     38     -13.5675      1.00000
     39     -13.3660      1.00000
     40     -12.6352      1.00000
     41     -12.1775      1.00000
     42     -12.1308      1.00000
     43     -12.0682      1.00000
     44     -12.0134      1.00000
     45     -11.6698      1.00000
     46     -11.6567      1.00000
     47     -11.1412      1.00000
     48     -11.1198      1.00000
     49     -10.7943      1.00000
     50     -10.7290      1.00000
     51     -10.5217      1.00000
     52     -10.2060      1.00000
     53     -10.2035      1.00000
     54     -10.1591      1.00000
     55     -10.0180      1.00000
     56     -10.0010      1.00000
     57      -9.9891      1.00000
     58      -9.8011      1.00000
     59      -9.7945      1.00000
     60      -9.7748      1.00000
     61      -9.7549      1.00000
     62      -9.4553      1.00000
     63      -9.4130      1.00000
     64      -9.0777      1.00000
     65      -9.0726      1.00000
     66      -9.0421      1.00000
     67      -8.9490      1.00000
     68      -8.8730      1.00000
     69      -8.7108      1.00000
     70      -8.6970      1.00000
     71      -8.5652      1.00000
     72      -8.5423      1.00000
     73      -8.4942      1.00000
     74      -8.4696      1.00000
     75      -8.4416      1.00000
     76      -8.2572      1.00000
     77      -8.1199      1.00000
     78      -8.0381      1.00000
     79      -7.9248      1.00000
     80      -7.8600      1.00000
     81      -7.6151      1.00000
     82      -7.5434      1.00000
     83      -7.4902      1.00000
     84      -7.2596      1.00000
     85      -7.0046      1.00000
     86      -6.9297      1.00000
     87      -6.8920      1.00000
     88      -6.5307      1.00000
     89      -6.4805      1.00000
     90      -6.4616      1.00000
     91      -6.4134      1.00000
     92      -5.9773      1.00000
     93      -5.8932      1.00000
     94      -5.7769      1.00000
     95      -5.7666      1.00000
     96      -5.4242      1.00000
     97      -5.3272      1.00000
     98      -5.2226      1.00000
     99      -5.2098      1.00000
    100      -5.2021      1.00000
    101      -4.6932      1.00000
    102      -4.4181      1.00000
    103      -4.2045      1.00000
    104      -3.8288      1.00000
    105      -3.5221      1.00000
    106      -3.2833      1.00000
    107      -2.5263      0.00000
    108      -1.4621      0.00000
    109      -1.2650      0.00000
    110      -1.2084      0.00000
    111      -1.1700      0.00000
    112      -0.7277      0.00000
    113      -0.5087      0.00000
    114      -0.4220      0.00000
    115      -0.3401      0.00000
    116      -0.1556      0.00000
    117      -0.0108      0.00000
    118       0.1840      0.00000
    119       0.5594      0.00000
    120       0.6088      0.00000
    121       0.7971      0.00000
    122       0.9059      0.00000
    123       1.1316      0.00000
    124       1.4915      0.00000
    125       1.6295      0.00000
    126       1.8544      0.00000
    127       1.9270      0.00000
    128       2.0842      0.00000
    129       2.1083      0.00000
    130       2.1244      0.00000
    131       2.1764      0.00000
    132       2.2746      0.00000
    133       2.3092      0.00000
    134       2.4606      0.00000
    135       2.5779      0.00000
    136       2.6526      0.00000
    137       2.8508      0.00000
    138       2.8621      0.00000
    139       2.8913      0.00000
    140       2.9838      0.00000
    141       3.0257      0.00000
    142       3.1389      0.00000
    143       3.1658      0.00000
    144       3.2164      0.00000
    145       3.2700      0.00000
    146       3.2798      0.00000
    147       3.2978      0.00000
    148       3.3437      0.00000
    149       3.4114      0.00000
    150       3.4337      0.00000
    151       3.5471      0.00000
    152       3.6069      0.00000
    153       3.6811      0.00000
    154       3.7172      0.00000
    155       3.7727      0.00000
    156       3.8911      0.00000
    157       3.9161      0.00000
    158       3.9990      0.00000
    159       4.1325      0.00000
    160       4.2198      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3115      1.00000
      2     -21.9587      1.00000
      3     -21.8858      1.00000
      4     -21.3783      1.00000
      5     -21.3424      1.00000
      6     -20.8351      1.00000
      7     -20.7679      1.00000
      8     -20.6208      1.00000
      9     -20.0837      1.00000
     10     -20.0553      1.00000
     11     -19.7141      1.00000
     12     -19.6856      1.00000
     13     -19.0055      1.00000
     14     -18.9743      1.00000
     15     -18.6428      1.00000
     16     -18.6117      1.00000
     17     -18.4594      1.00000
     18     -17.6585      1.00000
     19     -17.6508      1.00000
     20     -17.6095      1.00000
     21     -17.5772      1.00000
     22     -17.1335      1.00000
     23     -17.0942      1.00000
     24     -16.9562      1.00000
     25     -15.9990      1.00000
     26     -15.9255      1.00000
     27     -15.5938      1.00000
     28     -15.5701      1.00000
     29     -15.2871      1.00000
     30     -14.8702      1.00000
     31     -14.8245      1.00000
     32     -14.5778      1.00000
     33     -14.5360      1.00000
     34     -14.1638      1.00000
     35     -14.1576      1.00000
     36     -13.1553      1.00000
     37     -13.0914      1.00000
     38     -13.0267      1.00000
     39     -13.0167      1.00000
     40     -12.7174      1.00000
     41     -12.6943      1.00000
     42     -12.3366      1.00000
     43     -12.3074      1.00000
     44     -11.6351      1.00000
     45     -11.6215      1.00000
     46     -11.5733      1.00000
     47     -10.9407      1.00000
     48     -10.9212      1.00000
     49     -10.6631      1.00000
     50     -10.5890      1.00000
     51     -10.5698      1.00000
     52     -10.4996      1.00000
     53     -10.4812      1.00000
     54     -10.4327      1.00000
     55     -10.3562      1.00000
     56     -10.0981      1.00000
     57      -9.8927      1.00000
     58      -9.6098      1.00000
     59      -9.5505      1.00000
     60      -9.4488      1.00000
     61      -9.4146      1.00000
     62      -9.4092      1.00000
     63      -9.3838      1.00000
     64      -9.3650      1.00000
     65      -9.2624      1.00000
     66      -9.1713      1.00000
     67      -9.1429      1.00000
     68      -9.1234      1.00000
     69      -8.8640      1.00000
     70      -8.8587      1.00000
     71      -8.7991      1.00000
     72      -8.5938      1.00000
     73      -8.5233      1.00000
     74      -8.1956      1.00000
     75      -8.1724      1.00000
     76      -8.0744      1.00000
     77      -7.8558      1.00000
     78      -7.8387      1.00000
     79      -7.8131      1.00000
     80      -7.7166      1.00000
     81      -7.6946      1.00000
     82      -7.5966      1.00000
     83      -7.5237      1.00000
     84      -7.3469      1.00000
     85      -7.1643      1.00000
     86      -6.9133      1.00000
     87      -6.8888      1.00000
     88      -6.5850      1.00000
     89      -6.5548      1.00000
     90      -6.4013      1.00000
     91      -6.2958      1.00000
     92      -6.2415      1.00000
     93      -6.2103      1.00000
     94      -6.0061      1.00000
     95      -5.5254      1.00000
     96      -5.4789      1.00000
     97      -5.3151      1.00000
     98      -5.2147      1.00000
     99      -5.0374      1.00000
    100      -4.7139      1.00000
    101      -4.6763      1.00000
    102      -4.4194      1.00000
    103      -4.1897      1.00000
    104      -3.8367      1.00000
    105      -3.6274      1.00000
    106      -3.4117      1.00000
    107      -2.3024      0.00000
    108      -1.5159      0.00000
    109      -1.2822      0.00000
    110      -1.2608      0.00000
    111      -1.0414      0.00000
    112      -0.9711      0.00000
    113      -0.8690      0.00000
    114      -0.7985      0.00000
    115      -0.2683      0.00000
    116       0.1954      0.00000
    117       0.2355      0.00000
    118       0.3539      0.00000
    119       0.6898      0.00000
    120       0.8885      0.00000
    121       0.9135      0.00000
    122       1.0410      0.00000
    123       1.1633      0.00000
    124       1.5053      0.00000
    125       1.5630      0.00000
    126       1.7038      0.00000
    127       1.7730      0.00000
    128       1.8241      0.00000
    129       1.9499      0.00000
    130       1.9820      0.00000
    131       2.1626      0.00000
    132       2.2614      0.00000
    133       2.4059      0.00000
    134       2.4158      0.00000
    135       2.5198      0.00000
    136       2.5897      0.00000
    137       2.6116      0.00000
    138       2.6990      0.00000
    139       2.7480      0.00000
    140       2.8707      0.00000
    141       3.0319      0.00000
    142       3.0730      0.00000
    143       3.1820      0.00000
    144       3.2063      0.00000
    145       3.2515      0.00000
    146       3.2814      0.00000
    147       3.3369      0.00000
    148       3.4498      0.00000
    149       3.5198      0.00000
    150       3.6903      0.00000
    151       3.7094      0.00000
    152       3.7328      0.00000
    153       3.8272      0.00000
    154       3.8696      0.00000
    155       3.9252      0.00000
    156       3.9834      0.00000
    157       3.9915      0.00000
    158       4.0195      0.00000
    159       4.0585      0.00000
    160       4.1052      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3835      1.00000
      2     -21.8256      1.00000
      3     -21.6343      1.00000
      4     -21.6004      1.00000
      5     -21.2728      1.00000
      6     -21.2263      1.00000
      7     -21.0519      1.00000
      8     -20.1672      1.00000
      9     -20.1218      1.00000
     10     -19.6091      1.00000
     11     -19.5835      1.00000
     12     -19.4145      1.00000
     13     -19.0909      1.00000
     14     -19.0504      1.00000
     15     -19.0470      1.00000
     16     -19.0354      1.00000
     17     -18.3608      1.00000
     18     -18.3416      1.00000
     19     -18.0205      1.00000
     20     -17.0767      1.00000
     21     -17.0301      1.00000
     22     -16.9445      1.00000
     23     -16.9303      1.00000
     24     -16.4630      1.00000
     25     -16.4516      1.00000
     26     -15.6085      1.00000
     27     -15.6079      1.00000
     28     -15.2586      1.00000
     29     -15.2470      1.00000
     30     -15.1848      1.00000
     31     -15.0919      1.00000
     32     -15.0576      1.00000
     33     -14.6957      1.00000
     34     -14.6947      1.00000
     35     -13.7251      1.00000
     36     -13.7250      1.00000
     37     -13.2330      1.00000
     38     -12.6183      1.00000
     39     -12.5732      1.00000
     40     -12.4492      1.00000
     41     -12.4442      1.00000
     42     -12.1161      1.00000
     43     -12.1110      1.00000
     44     -11.7183      1.00000
     45     -11.6804      1.00000
     46     -11.2385      1.00000
     47     -11.2170      1.00000
     48     -11.0173      1.00000
     49     -11.0059      1.00000
     50     -10.9300      1.00000
     51     -10.9018      1.00000
     52     -10.6301      1.00000
     53     -10.1624      1.00000
     54     -10.1376      1.00000
     55     -10.0818      1.00000
     56      -9.9852      1.00000
     57      -9.7022      1.00000
     58      -9.6954      1.00000
     59      -9.6662      1.00000
     60      -9.5907      1.00000
     61      -9.5680      1.00000
     62      -9.5483      1.00000
     63      -9.3129      1.00000
     64      -9.3020      1.00000
     65      -9.2786      1.00000
     66      -9.2391      1.00000
     67      -9.1183      1.00000
     68      -9.1112      1.00000
     69      -9.1096      1.00000
     70      -8.9373      1.00000
     71      -8.8731      1.00000
     72      -8.6129      1.00000
     73      -8.5954      1.00000
     74      -8.2691      1.00000
     75      -8.0963      1.00000
     76      -7.8712      1.00000
     77      -7.8426      1.00000
     78      -7.7881      1.00000
     79      -7.7675      1.00000
     80      -7.7572      1.00000
     81      -7.4381      1.00000
     82      -7.3281      1.00000
     83      -7.3147      1.00000
     84      -7.2578      1.00000
     85      -7.1586      1.00000
     86      -7.0244      1.00000
     87      -6.9894      1.00000
     88      -6.7103      1.00000
     89      -6.6860      1.00000
     90      -6.6343      1.00000
     91      -6.5904      1.00000
     92      -6.1050      1.00000
     93      -6.0665      1.00000
     94      -6.0382      1.00000
     95      -6.0324      1.00000
     96      -5.7606      1.00000
     97      -4.9662      1.00000
     98      -4.8343      1.00000
     99      -4.7185      1.00000
    100      -4.6853      1.00000
    101      -4.4773      1.00000
    102      -4.3427      1.00000
    103      -4.1042      1.00000
    104      -4.0497      1.00000
    105      -3.7495      1.00000
    106      -3.4592      1.00000
    107      -1.9611      0.00000
    108      -1.7860      0.00000
    109      -1.4850      0.00000
    110      -1.3625      0.00000
    111      -1.3326      0.00000
    112      -1.2839      0.00000
    113      -0.6747      0.00000
    114      -0.4752      0.00000
    115      -0.2427      0.00000
    116       0.0426      0.00000
    117       0.5872      0.00000
    118       0.6837      0.00000
    119       0.7590      0.00000
    120       1.0168      0.00000
    121       1.0970      0.00000
    122       1.1736      0.00000
    123       1.2481      0.00000
    124       1.3351      0.00000
    125       1.4370      0.00000
    126       1.5912      0.00000
    127       1.7489      0.00000
    128       1.8343      0.00000
    129       1.8423      0.00000
    130       1.8819      0.00000
    131       2.0326      0.00000
    132       2.2128      0.00000
    133       2.2323      0.00000
    134       2.2771      0.00000
    135       2.4835      0.00000
    136       2.5697      0.00000
    137       2.6271      0.00000
    138       2.7516      0.00000
    139       2.7925      0.00000
    140       2.8320      0.00000
    141       2.8412      0.00000
    142       2.8473      0.00000
    143       2.9371      0.00000
    144       3.0792      0.00000
    145       3.2976      0.00000
    146       3.3586      0.00000
    147       3.3765      0.00000
    148       3.3860      0.00000
    149       3.4186      0.00000
    150       3.5625      0.00000
    151       3.6226      0.00000
    152       3.6785      0.00000
    153       3.7244      0.00000
    154       3.8862      0.00000
    155       3.9209      0.00000
    156       3.9489      0.00000
    157       4.1065      0.00000
    158       4.1891      0.00000
    159       4.2392      0.00000
    160       4.3662      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2045      1.00000
      2     -22.1127      1.00000
      3     -21.9499      1.00000
      4     -21.3978      1.00000
      5     -21.0409      1.00000
      6     -21.0129      1.00000
      7     -20.4907      1.00000
      8     -20.4613      1.00000
      9     -20.2830      1.00000
     10     -20.2811      1.00000
     11     -19.9500      1.00000
     12     -19.8862      1.00000
     13     -18.8759      1.00000
     14     -18.8077      1.00000
     15     -18.3387      1.00000
     16     -18.3190      1.00000
     17     -18.1449      1.00000
     18     -18.1373      1.00000
     19     -17.8165      1.00000
     20     -17.7977      1.00000
     21     -17.2503      1.00000
     22     -17.2313      1.00000
     23     -17.1747      1.00000
     24     -17.1255      1.00000
     25     -16.0991      1.00000
     26     -15.8797      1.00000
     27     -15.8689      1.00000
     28     -15.8261      1.00000
     29     -15.2461      1.00000
     30     -14.5463      1.00000
     31     -14.5282      1.00000
     32     -14.2908      1.00000
     33     -13.9709      1.00000
     34     -13.9457      1.00000
     35     -13.8175      1.00000
     36     -13.7942      1.00000
     37     -13.6082      1.00000
     38     -13.5823      1.00000
     39     -13.3618      1.00000
     40     -12.6256      1.00000
     41     -12.1731      1.00000
     42     -12.1458      1.00000
     43     -12.0693      1.00000
     44     -12.0210      1.00000
     45     -11.6632      1.00000
     46     -11.6584      1.00000
     47     -11.1328      1.00000
     48     -11.1223      1.00000
     49     -10.7888      1.00000
     50     -10.7311      1.00000
     51     -10.5293      1.00000
     52     -10.2105      1.00000
     53     -10.2041      1.00000
     54     -10.1655      1.00000
     55     -10.0177      1.00000
     56      -9.9888      1.00000
     57      -9.9855      1.00000
     58      -9.8058      1.00000
     59      -9.7968      1.00000
     60      -9.7596      1.00000
     61      -9.7510      1.00000
     62      -9.4498      1.00000
     63      -9.4107      1.00000
     64      -9.0801      1.00000
     65      -9.0411      1.00000
     66      -9.0219      1.00000
     67      -8.9840      1.00000
     68      -8.8962      1.00000
     69      -8.7120      1.00000
     70      -8.7031      1.00000
     71      -8.5605      1.00000
     72      -8.5502      1.00000
     73      -8.4790      1.00000
     74      -8.4667      1.00000
     75      -8.4598      1.00000
     76      -8.3036      1.00000
     77      -8.0936      1.00000
     78      -8.0889      1.00000
     79      -7.9133      1.00000
     80      -7.8279      1.00000
     81      -7.5934      1.00000
     82      -7.5540      1.00000
     83      -7.4466      1.00000
     84      -7.3003      1.00000
     85      -6.9833      1.00000
     86      -6.9130      1.00000
     87      -6.8678      1.00000
     88      -6.5405      1.00000
     89      -6.5157      1.00000
     90      -6.4854      1.00000
     91      -6.4121      1.00000
     92      -5.9304      1.00000
     93      -5.9113      1.00000
     94      -5.7878      1.00000
     95      -5.7714      1.00000
     96      -5.3745      1.00000
     97      -5.3628      1.00000
     98      -5.2364      1.00000
     99      -5.2118      1.00000
    100      -5.1918      1.00000
    101      -4.7088      1.00000
    102      -4.4352      1.00000
    103      -4.1857      1.00000
    104      -3.8142      1.00000
    105      -3.5570      1.00000
    106      -3.2119      1.00000
    107      -2.5790      0.00000
    108      -1.4704      0.00000
    109      -1.2577      0.00000
    110      -1.1999      0.00000
    111      -1.1924      0.00000
    112      -0.6462      0.00000
    113      -0.5508      0.00000
    114      -0.4164      0.00000
    115      -0.3524      0.00000
    116      -0.0796      0.00000
    117      -0.0618      0.00000
    118       0.1231      0.00000
    119       0.5799      0.00000
    120       0.6146      0.00000
    121       0.8533      0.00000
    122       0.9850      0.00000
    123       1.0030      0.00000
    124       1.4901      0.00000
    125       1.6874      0.00000
    126       1.7650      0.00000
    127       1.8524      0.00000
    128       2.1027      0.00000
    129       2.1088      0.00000
    130       2.1879      0.00000
    131       2.1989      0.00000
    132       2.2322      0.00000
    133       2.3196      0.00000
    134       2.4920      0.00000
    135       2.4960      0.00000
    136       2.6683      0.00000
    137       2.8468      0.00000
    138       2.8550      0.00000
    139       2.9470      0.00000
    140       2.9805      0.00000
    141       3.0485      0.00000
    142       3.1354      0.00000
    143       3.1727      0.00000
    144       3.2348      0.00000
    145       3.2431      0.00000
    146       3.2775      0.00000
    147       3.3014      0.00000
    148       3.3516      0.00000
    149       3.4060      0.00000
    150       3.5330      0.00000
    151       3.5617      0.00000
    152       3.6383      0.00000
    153       3.6432      0.00000
    154       3.6878      0.00000
    155       3.7111      0.00000
    156       3.8994      0.00000
    157       3.9599      0.00000
    158       4.0264      0.00000
    159       4.0739      0.00000
    160       4.1787      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2775      1.00000
      2     -22.0728      1.00000
      3     -21.7130      1.00000
      4     -21.6749      1.00000
      5     -20.9771      1.00000
      6     -20.9300      1.00000
      7     -20.6062      1.00000
      8     -20.5758      1.00000
      9     -20.5612      1.00000
     10     -20.0298      1.00000
     11     -19.5056      1.00000
     12     -19.4764      1.00000
     13     -19.3039      1.00000
     14     -19.2913      1.00000
     15     -18.4489      1.00000
     16     -18.4065      1.00000
     17     -17.9219      1.00000
     18     -17.9022      1.00000
     19     -17.7675      1.00000
     20     -17.7232      1.00000
     21     -17.4362      1.00000
     22     -17.4183      1.00000
     23     -17.3489      1.00000
     24     -16.4590      1.00000
     25     -16.4492      1.00000
     26     -15.9570      1.00000
     27     -15.4079      1.00000
     28     -15.4071      1.00000
     29     -15.0930      1.00000
     30     -15.0896      1.00000
     31     -14.8666      1.00000
     32     -14.8550      1.00000
     33     -14.2913      1.00000
     34     -14.2471      1.00000
     35     -13.4386      1.00000
     36     -13.3942      1.00000
     37     -13.1775      1.00000
     38     -13.1760      1.00000
     39     -12.9754      1.00000
     40     -12.9665      1.00000
     41     -12.6165      1.00000
     42     -12.6142      1.00000
     43     -12.1951      1.00000
     44     -11.5774      1.00000
     45     -11.5369      1.00000
     46     -11.3128      1.00000
     47     -11.2832      1.00000
     48     -11.1402      1.00000
     49     -10.6858      1.00000
     50     -10.6570      1.00000
     51     -10.5419      1.00000
     52     -10.3230      1.00000
     53     -10.3158      1.00000
     54     -10.1703      1.00000
     55     -10.1176      1.00000
     56     -10.1053      1.00000
     57      -9.8058      1.00000
     58      -9.7492      1.00000
     59      -9.7487      1.00000
     60      -9.7010      1.00000
     61      -9.6957      1.00000
     62      -9.6409      1.00000
     63      -9.3493      1.00000
     64      -9.3483      1.00000
     65      -9.3137      1.00000
     66      -9.0250      1.00000
     67      -8.9672      1.00000
     68      -8.9620      1.00000
     69      -8.7717      1.00000
     70      -8.5911      1.00000
     71      -8.5838      1.00000
     72      -8.4226      1.00000
     73      -8.3488      1.00000
     74      -8.3289      1.00000
     75      -8.3094      1.00000
     76      -8.2760      1.00000
     77      -8.2680      1.00000
     78      -8.2411      1.00000
     79      -7.9229      1.00000
     80      -7.7354      1.00000
     81      -7.3660      1.00000
     82      -7.3347      1.00000
     83      -7.3099      1.00000
     84      -7.2103      1.00000
     85      -7.1521      1.00000
     86      -7.0606      1.00000
     87      -6.9528      1.00000
     88      -6.9001      1.00000
     89      -6.6263      1.00000
     90      -6.5461      1.00000
     91      -6.2867      1.00000
     92      -5.9995      1.00000
     93      -5.9649      1.00000
     94      -5.6691      1.00000
     95      -5.6423      1.00000
     96      -5.3939      1.00000
     97      -5.3270      1.00000
     98      -5.2996      1.00000
     99      -5.2105      1.00000
    100      -5.1977      1.00000
    101      -4.5035      1.00000
    102      -4.3295      1.00000
    103      -3.9867      1.00000
    104      -3.8782      1.00000
    105      -3.7863      1.00000
    106      -3.4370      1.00000
    107      -2.0480      0.00000
    108      -1.8806      0.00000
    109      -1.2228      0.00000
    110      -1.1745      0.00000
    111      -1.0435      0.00000
    112      -0.7780      0.00000
    113      -0.6763      0.00000
    114      -0.6663      0.00000
    115      -0.6047      0.00000
    116      -0.1081      0.00000
    117       0.2246      0.00000
    118       0.2376      0.00000
    119       0.7689      0.00000
    120       0.9814      0.00000
    121       1.0697      0.00000
    122       1.2306      0.00000
    123       1.2440      0.00000
    124       1.3398      0.00000
    125       1.5667      0.00000
    126       1.5723      0.00000
    127       1.6985      0.00000
    128       1.7881      0.00000
    129       1.9461      0.00000
    130       1.9636      0.00000
    131       2.0449      0.00000
    132       2.2601      0.00000
    133       2.3378      0.00000
    134       2.4156      0.00000
    135       2.5324      0.00000
    136       2.6148      0.00000
    137       2.7408      0.00000
    138       2.8140      0.00000
    139       2.8425      0.00000
    140       2.8647      0.00000
    141       3.0343      0.00000
    142       3.0980      0.00000
    143       3.1525      0.00000
    144       3.2165      0.00000
    145       3.3647      0.00000
    146       3.4058      0.00000
    147       3.5096      0.00000
    148       3.5322      0.00000
    149       3.5821      0.00000
    150       3.6040      0.00000
    151       3.6468      0.00000
    152       3.7253      0.00000
    153       3.7353      0.00000
    154       3.7548      0.00000
    155       3.7858      0.00000
    156       3.8578      0.00000
    157       4.0202      0.00000
    158       4.0819      0.00000
    159       4.1606      0.00000
    160       4.2185      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4202      1.00000
      2     -21.5980      1.00000
      3     -21.4762      1.00000
      4     -21.4671      1.00000
      5     -21.4343      1.00000
      6     -21.4336      1.00000
      7     -21.4236      1.00000
      8     -19.7024      1.00000
      9     -19.6495      1.00000
     10     -19.6237      1.00000
     11     -19.6156      1.00000
     12     -19.6077      1.00000
     13     -19.6065      1.00000
     14     -18.7833      1.00000
     15     -18.7543      1.00000
     16     -18.7280      1.00000
     17     -18.7201      1.00000
     18     -18.7177      1.00000
     19     -18.7082      1.00000
     20     -16.6251      1.00000
     21     -16.6207      1.00000
     22     -16.5914      1.00000
     23     -16.5713      1.00000
     24     -16.5546      1.00000
     25     -16.5452      1.00000
     26     -15.6060      1.00000
     27     -15.6036      1.00000
     28     -15.5966      1.00000
     29     -15.5676      1.00000
     30     -15.5665      1.00000
     31     -15.5427      1.00000
     32     -14.2569      1.00000
     33     -14.2482      1.00000
     34     -14.2398      1.00000
     35     -14.2335      1.00000
     36     -14.2198      1.00000
     37     -14.2168      1.00000
     38     -11.8999      1.00000
     39     -11.8836      1.00000
     40     -11.8825      1.00000
     41     -11.8578      1.00000
     42     -11.8483      1.00000
     43     -11.8380      1.00000
     44     -11.7691      1.00000
     45     -11.7658      1.00000
     46     -11.7328      1.00000
     47     -11.7262      1.00000
     48     -11.7210      1.00000
     49     -11.7195      1.00000
     50     -10.6689      1.00000
     51     -10.3888      1.00000
     52     -10.3821      1.00000
     53     -10.3815      1.00000
     54     -10.3614      1.00000
     55     -10.3523      1.00000
     56     -10.3488      1.00000
     57      -9.8977      1.00000
     58      -9.4459      1.00000
     59      -9.4009      1.00000
     60      -9.3576      1.00000
     61      -9.3569      1.00000
     62      -9.3494      1.00000
     63      -9.1431      1.00000
     64      -9.1238      1.00000
     65      -9.1199      1.00000
     66      -9.0864      1.00000
     67      -9.0710      1.00000
     68      -9.0705      1.00000
     69      -9.0695      1.00000
     70      -9.0667      1.00000
     71      -9.0610      1.00000
     72      -9.0402      1.00000
     73      -9.0282      1.00000
     74      -9.0271      1.00000
     75      -8.1319      1.00000
     76      -7.7332      1.00000
     77      -7.4731      1.00000
     78      -7.4656      1.00000
     79      -7.4556      1.00000
     80      -7.4350      1.00000
     81      -7.4231      1.00000
     82      -7.4071      1.00000
     83      -7.3072      1.00000
     84      -7.2707      1.00000
     85      -7.2528      1.00000
     86      -7.2473      1.00000
     87      -7.1527      1.00000
     88      -7.0443      1.00000
     89      -6.4425      1.00000
     90      -6.4080      1.00000
     91      -6.3940      1.00000
     92      -6.3698      1.00000
     93      -6.3561      1.00000
     94      -6.3385      1.00000
     95      -5.9773      1.00000
     96      -5.9446      1.00000
     97      -4.7932      1.00000
     98      -4.5427      1.00000
     99      -4.4946      1.00000
    100      -4.4638      1.00000
    101      -4.3919      1.00000
    102      -4.3767      1.00000
    103      -4.2630      1.00000
    104      -4.1839      1.00000
    105      -3.7348      1.00000
    106      -3.4713      1.00000
    107      -1.8691      0.00000
    108      -1.6642      0.00000
    109      -1.6256      0.00000
    110      -1.6026      0.00000
    111      -1.5832      0.00000
    112      -1.5722      0.00000
    113      -0.4337      0.00000
    114       0.1435      0.00000
    115       0.1845      0.00000
    116       0.2473      0.00000
    117       0.2642      0.00000
    118       0.2685      0.00000
    119       0.4668      0.00000
    120       0.5494      0.00000
    121       1.2445      0.00000
    122       1.2892      0.00000
    123       1.5255      0.00000
    124       1.7702      0.00000
    125       1.7736      0.00000
    126       1.7750      0.00000
    127       1.7780      0.00000
    128       1.8273      0.00000
    129       1.9441      0.00000
    130       1.9662      0.00000
    131       1.9708      0.00000
    132       1.9774      0.00000
    133       1.9920      0.00000
    134       2.0759      0.00000
    135       2.2492      0.00000
    136       2.3288      0.00000
    137       2.6057      0.00000
    138       2.6115      0.00000
    139       2.6362      0.00000
    140       2.7005      0.00000
    141       2.9262      0.00000
    142       3.0353      0.00000
    143       3.0372      0.00000
    144       3.0502      0.00000
    145       3.0517      0.00000
    146       3.0591      0.00000
    147       3.1192      0.00000
    148       3.2684      0.00000
    149       3.4288      0.00000
    150       3.5097      0.00000
    151       3.8234      0.00000
    152       3.9247      0.00000
    153       3.9316      0.00000
    154       3.9374      0.00000
    155       3.9570      0.00000
    156       4.0043      0.00000
    157       4.1970      0.00000
    158       4.2648      0.00000
    159       4.2759      0.00000
    160       4.2799      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3835      1.00000
      2     -21.8245      1.00000
      3     -21.6327      1.00000
      4     -21.6046      1.00000
      5     -21.2696      1.00000
      6     -21.2293      1.00000
      7     -21.0505      1.00000
      8     -20.1628      1.00000
      9     -20.1237      1.00000
     10     -19.6054      1.00000
     11     -19.5946      1.00000
     12     -19.4110      1.00000
     13     -19.0842      1.00000
     14     -19.0593      1.00000
     15     -19.0439      1.00000
     16     -19.0362      1.00000
     17     -18.3594      1.00000
     18     -18.3484      1.00000
     19     -18.0123      1.00000
     20     -17.0639      1.00000
     21     -17.0241      1.00000
     22     -16.9495      1.00000
     23     -16.9331      1.00000
     24     -16.4742      1.00000
     25     -16.4636      1.00000
     26     -15.6120      1.00000
     27     -15.5996      1.00000
     28     -15.2467      1.00000
     29     -15.2334      1.00000
     30     -15.1838      1.00000
     31     -15.0997      1.00000
     32     -15.0713      1.00000
     33     -14.6974      1.00000
     34     -14.6926      1.00000
     35     -13.7238      1.00000
     36     -13.7210      1.00000
     37     -13.2347      1.00000
     38     -12.6190      1.00000
     39     -12.5856      1.00000
     40     -12.4517      1.00000
     41     -12.4484      1.00000
     42     -12.1033      1.00000
     43     -12.0987      1.00000
     44     -11.7150      1.00000
     45     -11.6842      1.00000
     46     -11.2425      1.00000
     47     -11.2269      1.00000
     48     -11.0150      1.00000
     49     -11.0071      1.00000
     50     -10.9219      1.00000
     51     -10.9005      1.00000
     52     -10.6236      1.00000
     53     -10.1578      1.00000
     54     -10.1550      1.00000
     55     -10.0930      1.00000
     56      -9.9935      1.00000
     57      -9.6996      1.00000
     58      -9.6903      1.00000
     59      -9.6491      1.00000
     60      -9.5927      1.00000
     61      -9.5747      1.00000
     62      -9.5581      1.00000
     63      -9.3056      1.00000
     64      -9.3015      1.00000
     65      -9.2712      1.00000
     66      -9.2365      1.00000
     67      -9.1320      1.00000
     68      -9.1133      1.00000
     69      -9.1116      1.00000
     70      -8.9344      1.00000
     71      -8.8724      1.00000
     72      -8.6022      1.00000
     73      -8.5885      1.00000
     74      -8.2352      1.00000
     75      -8.1058      1.00000
     76      -7.9071      1.00000
     77      -7.8627      1.00000
     78      -7.7744      1.00000
     79      -7.7545      1.00000
     80      -7.6902      1.00000
     81      -7.5532      1.00000
     82      -7.3454      1.00000
     83      -7.3266      1.00000
     84      -7.2048      1.00000
     85      -7.1206      1.00000
     86      -7.0278      1.00000
     87      -7.0097      1.00000
     88      -6.6998      1.00000
     89      -6.6803      1.00000
     90      -6.6365      1.00000
     91      -6.5976      1.00000
     92      -6.1284      1.00000
     93      -6.0550      1.00000
     94      -6.0254      1.00000
     95      -6.0187      1.00000
     96      -5.7753      1.00000
     97      -4.9636      1.00000
     98      -4.8406      1.00000
     99      -4.7446      1.00000
    100      -4.6722      1.00000
    101      -4.4615      1.00000
    102      -4.1994      1.00000
    103      -4.1836      1.00000
    104      -4.1262      1.00000
    105      -3.7264      1.00000
    106      -3.4815      1.00000
    107      -1.8747      0.00000
    108      -1.7995      0.00000
    109      -1.5316      0.00000
    110      -1.3714      0.00000
    111      -1.3323      0.00000
    112      -1.2960      0.00000
    113      -0.7278      0.00000
    114      -0.3833      0.00000
    115      -0.2487      0.00000
    116       0.0278      0.00000
    117       0.5545      0.00000
    118       0.6986      0.00000
    119       0.7398      0.00000
    120       1.0459      0.00000
    121       1.0837      0.00000
    122       1.1480      0.00000
    123       1.2203      0.00000
    124       1.3751      0.00000
    125       1.5186      0.00000
    126       1.5792      0.00000
    127       1.7128      0.00000
    128       1.8019      0.00000
    129       1.8510      0.00000
    130       1.8787      0.00000
    131       2.0851      0.00000
    132       2.1859      0.00000
    133       2.2366      0.00000
    134       2.2998      0.00000
    135       2.5091      0.00000
    136       2.5811      0.00000
    137       2.6239      0.00000
    138       2.7528      0.00000
    139       2.7770      0.00000
    140       2.8094      0.00000
    141       2.8346      0.00000
    142       2.8990      0.00000
    143       2.9377      0.00000
    144       3.0815      0.00000
    145       3.1517      0.00000
    146       3.2958      0.00000
    147       3.3528      0.00000
    148       3.4034      0.00000
    149       3.4596      0.00000
    150       3.6019      0.00000
    151       3.6346      0.00000
    152       3.6421      0.00000
    153       3.7059      0.00000
    154       3.9050      0.00000
    155       3.9508      0.00000
    156       4.0124      0.00000
    157       4.0581      0.00000
    158       4.2257      0.00000
    159       4.2507      0.00000
    160       4.2676      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2777      1.00000
      2     -22.0716      1.00000
      3     -21.7113      1.00000
      4     -21.6790      1.00000
      5     -20.9744      1.00000
      6     -20.9330      1.00000
      7     -20.6065      1.00000
      8     -20.5696      1.00000
      9     -20.5629      1.00000
     10     -20.0264      1.00000
     11     -19.5005      1.00000
     12     -19.4889      1.00000
     13     -19.3041      1.00000
     14     -19.2980      1.00000
     15     -18.4430      1.00000
     16     -18.4051      1.00000
     17     -17.9212      1.00000
     18     -17.9097      1.00000
     19     -17.7569      1.00000
     20     -17.7197      1.00000
     21     -17.4374      1.00000
     22     -17.4240      1.00000
     23     -17.3323      1.00000
     24     -16.4669      1.00000
     25     -16.4636      1.00000
     26     -15.9675      1.00000
     27     -15.4122      1.00000
     28     -15.4042      1.00000
     29     -15.0950      1.00000
     30     -15.0892      1.00000
     31     -14.8471      1.00000
     32     -14.8381      1.00000
     33     -14.2926      1.00000
     34     -14.2571      1.00000
     35     -13.4401      1.00000
     36     -13.4043      1.00000
     37     -13.1743      1.00000
     38     -13.1708      1.00000
     39     -12.9800      1.00000
     40     -12.9753      1.00000
     41     -12.6088      1.00000
     42     -12.6057      1.00000
     43     -12.1974      1.00000
     44     -11.5740      1.00000
     45     -11.5401      1.00000
     46     -11.3069      1.00000
     47     -11.2839      1.00000
     48     -11.1425      1.00000
     49     -10.6776      1.00000
     50     -10.6649      1.00000
     51     -10.5472      1.00000
     52     -10.3200      1.00000
     53     -10.3160      1.00000
     54     -10.1655      1.00000
     55     -10.1230      1.00000
     56     -10.1090      1.00000
     57      -9.7943      1.00000
     58      -9.7627      1.00000
     59      -9.7526      1.00000
     60      -9.7009      1.00000
     61      -9.6953      1.00000
     62      -9.6576      1.00000
     63      -9.3538      1.00000
     64      -9.3524      1.00000
     65      -9.3166      1.00000
     66      -9.0349      1.00000
     67      -8.9663      1.00000
     68      -8.9393      1.00000
     69      -8.7951      1.00000
     70      -8.5935      1.00000
     71      -8.5553      1.00000
     72      -8.3941      1.00000
     73      -8.3594      1.00000
     74      -8.3227      1.00000
     75      -8.3035      1.00000
     76      -8.2559      1.00000
     77      -8.2510      1.00000
     78      -8.2352      1.00000
     79      -7.9031      1.00000
     80      -7.6483      1.00000
     81      -7.5414      1.00000
     82      -7.3955      1.00000
     83      -7.3573      1.00000
     84      -7.2382      1.00000
     85      -7.0974      1.00000
     86      -7.0391      1.00000
     87      -6.9324      1.00000
     88      -6.8483      1.00000
     89      -6.6087      1.00000
     90      -6.5683      1.00000
     91      -6.2646      1.00000
     92      -6.0382      1.00000
     93      -5.9474      1.00000
     94      -5.6552      1.00000
     95      -5.6326      1.00000
     96      -5.4559      1.00000
     97      -5.3096      1.00000
     98      -5.2777      1.00000
     99      -5.2062      1.00000
    100      -5.2034      1.00000
    101      -4.5003      1.00000
    102      -4.2030      1.00000
    103      -4.0617      1.00000
    104      -3.9956      1.00000
    105      -3.6931      1.00000
    106      -3.4922      1.00000
    107      -1.9425      0.00000
    108      -1.8932      0.00000
    109      -1.3444      0.00000
    110      -1.0944      0.00000
    111      -1.0525      0.00000
    112      -0.8094      0.00000
    113      -0.6732      0.00000
    114      -0.6575      0.00000
    115      -0.6153      0.00000
    116      -0.1173      0.00000
    117       0.2084      0.00000
    118       0.3176      0.00000
    119       0.6947      0.00000
    120       0.8858      0.00000
    121       1.1233      0.00000
    122       1.1944      0.00000
    123       1.3250      0.00000
    124       1.4205      0.00000
    125       1.5517      0.00000
    126       1.5729      0.00000
    127       1.6753      0.00000
    128       1.8037      0.00000
    129       1.8835      0.00000
    130       2.0427      0.00000
    131       2.0860      0.00000
    132       2.3069      0.00000
    133       2.3462      0.00000
    134       2.4001      0.00000
    135       2.5445      0.00000
    136       2.6334      0.00000
    137       2.7048      0.00000
    138       2.7347      0.00000
    139       2.7978      0.00000
    140       2.8828      0.00000
    141       3.0406      0.00000
    142       3.0565      0.00000
    143       3.1672      0.00000
    144       3.2547      0.00000
    145       3.3549      0.00000
    146       3.3984      0.00000
    147       3.4235      0.00000
    148       3.5509      0.00000
    149       3.5722      0.00000
    150       3.5860      0.00000
    151       3.6454      0.00000
    152       3.6694      0.00000
    153       3.7684      0.00000
    154       3.7846      0.00000
    155       3.7971      0.00000
    156       3.8813      0.00000
    157       3.9162      0.00000
    158       3.9892      0.00000
    159       4.2095      0.00000
    160       4.2370      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3115      1.00000
      2     -21.9571      1.00000
      3     -21.8873      1.00000
      4     -21.3759      1.00000
      5     -21.3470      1.00000
      6     -20.8334      1.00000
      7     -20.7676      1.00000
      8     -20.6172      1.00000
      9     -20.0746      1.00000
     10     -20.0693      1.00000
     11     -19.7111      1.00000
     12     -19.6868      1.00000
     13     -18.9931      1.00000
     14     -18.9876      1.00000
     15     -18.6413      1.00000
     16     -18.6253      1.00000
     17     -18.4537      1.00000
     18     -17.6668      1.00000
     19     -17.6170      1.00000
     20     -17.6139      1.00000
     21     -17.5709      1.00000
     22     -17.1273      1.00000
     23     -17.1039      1.00000
     24     -16.9757      1.00000
     25     -16.0169      1.00000
     26     -15.9117      1.00000
     27     -15.5859      1.00000
     28     -15.5858      1.00000
     29     -15.2666      1.00000
     30     -14.8689      1.00000
     31     -14.8414      1.00000
     32     -14.5734      1.00000
     33     -14.5300      1.00000
     34     -14.1653      1.00000
     35     -14.1506      1.00000
     36     -13.1636      1.00000
     37     -13.0983      1.00000
     38     -13.0235      1.00000
     39     -13.0133      1.00000
     40     -12.7067      1.00000
     41     -12.7028      1.00000
     42     -12.3424      1.00000
     43     -12.3098      1.00000
     44     -11.6318      1.00000
     45     -11.6189      1.00000
     46     -11.5575      1.00000
     47     -10.9467      1.00000
     48     -10.9127      1.00000
     49     -10.6307      1.00000
     50     -10.6291      1.00000
     51     -10.5463      1.00000
     52     -10.5035      1.00000
     53     -10.5021      1.00000
     54     -10.4557      1.00000
     55     -10.3564      1.00000
     56     -10.0938      1.00000
     57      -9.8984      1.00000
     58      -9.6065      1.00000
     59      -9.5523      1.00000
     60      -9.4515      1.00000
     61      -9.4125      1.00000
     62      -9.4042      1.00000
     63      -9.3788      1.00000
     64      -9.3779      1.00000
     65      -9.2846      1.00000
     66      -9.1624      1.00000
     67      -9.1380      1.00000
     68      -9.0992      1.00000
     69      -8.8653      1.00000
     70      -8.8589      1.00000
     71      -8.8105      1.00000
     72      -8.5905      1.00000
     73      -8.4740      1.00000
     74      -8.1953      1.00000
     75      -8.1596      1.00000
     76      -8.0088      1.00000
     77      -7.9593      1.00000
     78      -7.8578      1.00000
     79      -7.8477      1.00000
     80      -7.7047      1.00000
     81      -7.6979      1.00000
     82      -7.6238      1.00000
     83      -7.4419      1.00000
     84      -7.3009      1.00000
     85      -7.2447      1.00000
     86      -6.9095      1.00000
     87      -6.8954      1.00000
     88      -6.5882      1.00000
     89      -6.5493      1.00000
     90      -6.4249      1.00000
     91      -6.2617      1.00000
     92      -6.2404      1.00000
     93      -6.1909      1.00000
     94      -6.0135      1.00000
     95      -5.5406      1.00000
     96      -5.4791      1.00000
     97      -5.3394      1.00000
     98      -5.2095      1.00000
     99      -4.9966      1.00000
    100      -4.7281      1.00000
    101      -4.6786      1.00000
    102      -4.3848      1.00000
    103      -4.1981      1.00000
    104      -3.8699      1.00000
    105      -3.5589      1.00000
    106      -3.5031      1.00000
    107      -2.2438      0.00000
    108      -1.4573      0.00000
    109      -1.3627      0.00000
    110      -1.2416      0.00000
    111      -1.1038      0.00000
    112      -0.9559      0.00000
    113      -0.8768      0.00000
    114      -0.8181      0.00000
    115      -0.1478      0.00000
    116       0.1111      0.00000
    117       0.2393      0.00000
    118       0.3641      0.00000
    119       0.6533      0.00000
    120       0.8332      0.00000
    121       0.9333      0.00000
    122       1.0615      0.00000
    123       1.2346      0.00000
    124       1.4415      0.00000
    125       1.5475      0.00000
    126       1.7594      0.00000
    127       1.7852      0.00000
    128       1.8664      0.00000
    129       1.9723      0.00000
    130       2.0208      0.00000
    131       2.1719      0.00000
    132       2.1765      0.00000
    133       2.4164      0.00000
    134       2.4174      0.00000
    135       2.5142      0.00000
    136       2.5995      0.00000
    137       2.6345      0.00000
    138       2.6995      0.00000
    139       2.7648      0.00000
    140       2.8314      0.00000
    141       2.9500      0.00000
    142       3.0575      0.00000
    143       3.1753      0.00000
    144       3.2013      0.00000
    145       3.2404      0.00000
    146       3.3160      0.00000
    147       3.3242      0.00000
    148       3.4555      0.00000
    149       3.5005      0.00000
    150       3.6843      0.00000
    151       3.7116      0.00000
    152       3.7136      0.00000
    153       3.8502      0.00000
    154       3.8964      0.00000
    155       3.9278      0.00000
    156       3.9654      0.00000
    157       3.9721      0.00000
    158       4.0444      0.00000
    159       4.0617      0.00000
    160       4.0664      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2051      1.00000
      2     -22.1109      1.00000
      3     -21.9509      1.00000
      4     -21.3992      1.00000
      5     -21.0440      1.00000
      6     -21.0085      1.00000
      7     -20.4955      1.00000
      8     -20.4565      1.00000
      9     -20.2885      1.00000
     10     -20.2697      1.00000
     11     -19.9545      1.00000
     12     -19.8877      1.00000
     13     -18.8810      1.00000
     14     -18.8111      1.00000
     15     -18.3469      1.00000
     16     -18.3019      1.00000
     17     -18.1504      1.00000
     18     -18.1321      1.00000
     19     -17.8213      1.00000
     20     -17.7849      1.00000
     21     -17.2549      1.00000
     22     -17.2404      1.00000
     23     -17.1553      1.00000
     24     -17.1335      1.00000
     25     -16.1119      1.00000
     26     -15.8808      1.00000
     27     -15.8654      1.00000
     28     -15.8381      1.00000
     29     -15.2275      1.00000
     30     -14.5542      1.00000
     31     -14.5260      1.00000
     32     -14.2719      1.00000
     33     -13.9673      1.00000
     34     -13.9535      1.00000
     35     -13.8271      1.00000
     36     -13.8037      1.00000
     37     -13.6098      1.00000
     38     -13.5675      1.00000
     39     -13.3660      1.00000
     40     -12.6352      1.00000
     41     -12.1775      1.00000
     42     -12.1308      1.00000
     43     -12.0682      1.00000
     44     -12.0134      1.00000
     45     -11.6698      1.00000
     46     -11.6567      1.00000
     47     -11.1412      1.00000
     48     -11.1198      1.00000
     49     -10.7943      1.00000
     50     -10.7290      1.00000
     51     -10.5217      1.00000
     52     -10.2060      1.00000
     53     -10.2035      1.00000
     54     -10.1591      1.00000
     55     -10.0180      1.00000
     56     -10.0010      1.00000
     57      -9.9891      1.00000
     58      -9.8011      1.00000
     59      -9.7945      1.00000
     60      -9.7748      1.00000
     61      -9.7549      1.00000
     62      -9.4553      1.00000
     63      -9.4130      1.00000
     64      -9.0777      1.00000
     65      -9.0726      1.00000
     66      -9.0421      1.00000
     67      -8.9490      1.00000
     68      -8.8730      1.00000
     69      -8.7108      1.00000
     70      -8.6970      1.00000
     71      -8.5652      1.00000
     72      -8.5423      1.00000
     73      -8.4942      1.00000
     74      -8.4696      1.00000
     75      -8.4416      1.00000
     76      -8.2572      1.00000
     77      -8.1199      1.00000
     78      -8.0381      1.00000
     79      -7.9248      1.00000
     80      -7.8600      1.00000
     81      -7.6151      1.00000
     82      -7.5434      1.00000
     83      -7.4902      1.00000
     84      -7.2596      1.00000
     85      -7.0046      1.00000
     86      -6.9297      1.00000
     87      -6.8920      1.00000
     88      -6.5307      1.00000
     89      -6.4805      1.00000
     90      -6.4616      1.00000
     91      -6.4134      1.00000
     92      -5.9773      1.00000
     93      -5.8932      1.00000
     94      -5.7769      1.00000
     95      -5.7666      1.00000
     96      -5.4242      1.00000
     97      -5.3272      1.00000
     98      -5.2226      1.00000
     99      -5.2098      1.00000
    100      -5.2021      1.00000
    101      -4.6932      1.00000
    102      -4.4181      1.00000
    103      -4.2045      1.00000
    104      -3.8288      1.00000
    105      -3.5221      1.00000
    106      -3.2833      1.00000
    107      -2.5263      0.00000
    108      -1.4621      0.00000
    109      -1.2650      0.00000
    110      -1.2084      0.00000
    111      -1.1700      0.00000
    112      -0.7277      0.00000
    113      -0.5087      0.00000
    114      -0.4220      0.00000
    115      -0.3401      0.00000
    116      -0.1556      0.00000
    117      -0.0108      0.00000
    118       0.1840      0.00000
    119       0.5594      0.00000
    120       0.6088      0.00000
    121       0.7971      0.00000
    122       0.9059      0.00000
    123       1.1316      0.00000
    124       1.4914      0.00000
    125       1.6295      0.00000
    126       1.8544      0.00000
    127       1.9270      0.00000
    128       2.0842      0.00000
    129       2.1083      0.00000
    130       2.1244      0.00000
    131       2.1764      0.00000
    132       2.2746      0.00000
    133       2.3092      0.00000
    134       2.4606      0.00000
    135       2.5778      0.00000
    136       2.6525      0.00000
    137       2.8508      0.00000
    138       2.8621      0.00000
    139       2.8913      0.00000
    140       2.9837      0.00000
    141       3.0257      0.00000
    142       3.1389      0.00000
    143       3.1658      0.00000
    144       3.2163      0.00000
    145       3.2700      0.00000
    146       3.2798      0.00000
    147       3.2978      0.00000
    148       3.3437      0.00000
    149       3.4114      0.00000
    150       3.4337      0.00000
    151       3.5471      0.00000
    152       3.6069      0.00000
    153       3.6811      0.00000
    154       3.7172      0.00000
    155       3.7727      0.00000
    156       3.8911      0.00000
    157       3.9161      0.00000
    158       3.9990      0.00000
    159       4.1331      0.00000
    160       4.2232      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3115      1.00000
      2     -21.9587      1.00000
      3     -21.8858      1.00000
      4     -21.3783      1.00000
      5     -21.3424      1.00000
      6     -20.8351      1.00000
      7     -20.7679      1.00000
      8     -20.6208      1.00000
      9     -20.0837      1.00000
     10     -20.0553      1.00000
     11     -19.7141      1.00000
     12     -19.6856      1.00000
     13     -19.0055      1.00000
     14     -18.9743      1.00000
     15     -18.6428      1.00000
     16     -18.6117      1.00000
     17     -18.4594      1.00000
     18     -17.6585      1.00000
     19     -17.6508      1.00000
     20     -17.6095      1.00000
     21     -17.5772      1.00000
     22     -17.1335      1.00000
     23     -17.0942      1.00000
     24     -16.9562      1.00000
     25     -15.9990      1.00000
     26     -15.9255      1.00000
     27     -15.5938      1.00000
     28     -15.5701      1.00000
     29     -15.2871      1.00000
     30     -14.8702      1.00000
     31     -14.8245      1.00000
     32     -14.5778      1.00000
     33     -14.5360      1.00000
     34     -14.1638      1.00000
     35     -14.1576      1.00000
     36     -13.1553      1.00000
     37     -13.0914      1.00000
     38     -13.0267      1.00000
     39     -13.0167      1.00000
     40     -12.7174      1.00000
     41     -12.6943      1.00000
     42     -12.3366      1.00000
     43     -12.3074      1.00000
     44     -11.6351      1.00000
     45     -11.6215      1.00000
     46     -11.5733      1.00000
     47     -10.9407      1.00000
     48     -10.9212      1.00000
     49     -10.6631      1.00000
     50     -10.5890      1.00000
     51     -10.5698      1.00000
     52     -10.4996      1.00000
     53     -10.4812      1.00000
     54     -10.4327      1.00000
     55     -10.3562      1.00000
     56     -10.0981      1.00000
     57      -9.8927      1.00000
     58      -9.6098      1.00000
     59      -9.5505      1.00000
     60      -9.4488      1.00000
     61      -9.4146      1.00000
     62      -9.4092      1.00000
     63      -9.3838      1.00000
     64      -9.3650      1.00000
     65      -9.2624      1.00000
     66      -9.1713      1.00000
     67      -9.1429      1.00000
     68      -9.1234      1.00000
     69      -8.8640      1.00000
     70      -8.8587      1.00000
     71      -8.7991      1.00000
     72      -8.5938      1.00000
     73      -8.5233      1.00000
     74      -8.1956      1.00000
     75      -8.1724      1.00000
     76      -8.0744      1.00000
     77      -7.8558      1.00000
     78      -7.8387      1.00000
     79      -7.8131      1.00000
     80      -7.7166      1.00000
     81      -7.6946      1.00000
     82      -7.5966      1.00000
     83      -7.5237      1.00000
     84      -7.3469      1.00000
     85      -7.1643      1.00000
     86      -6.9133      1.00000
     87      -6.8888      1.00000
     88      -6.5850      1.00000
     89      -6.5548      1.00000
     90      -6.4013      1.00000
     91      -6.2958      1.00000
     92      -6.2415      1.00000
     93      -6.2103      1.00000
     94      -6.0061      1.00000
     95      -5.5254      1.00000
     96      -5.4789      1.00000
     97      -5.3151      1.00000
     98      -5.2147      1.00000
     99      -5.0374      1.00000
    100      -4.7139      1.00000
    101      -4.6763      1.00000
    102      -4.4194      1.00000
    103      -4.1897      1.00000
    104      -3.8367      1.00000
    105      -3.6274      1.00000
    106      -3.4117      1.00000
    107      -2.3024      0.00000
    108      -1.5159      0.00000
    109      -1.2822      0.00000
    110      -1.2608      0.00000
    111      -1.0414      0.00000
    112      -0.9711      0.00000
    113      -0.8690      0.00000
    114      -0.7985      0.00000
    115      -0.2683      0.00000
    116       0.1954      0.00000
    117       0.2355      0.00000
    118       0.3539      0.00000
    119       0.6898      0.00000
    120       0.8885      0.00000
    121       0.9135      0.00000
    122       1.0410      0.00000
    123       1.1633      0.00000
    124       1.5053      0.00000
    125       1.5630      0.00000
    126       1.7038      0.00000
    127       1.7730      0.00000
    128       1.8241      0.00000
    129       1.9499      0.00000
    130       1.9820      0.00000
    131       2.1626      0.00000
    132       2.2614      0.00000
    133       2.4059      0.00000
    134       2.4157      0.00000
    135       2.5197      0.00000
    136       2.5897      0.00000
    137       2.6116      0.00000
    138       2.6989      0.00000
    139       2.7480      0.00000
    140       2.8706      0.00000
    141       3.0319      0.00000
    142       3.0730      0.00000
    143       3.1820      0.00000
    144       3.2063      0.00000
    145       3.2515      0.00000
    146       3.2814      0.00000
    147       3.3369      0.00000
    148       3.4498      0.00000
    149       3.5198      0.00000
    150       3.6903      0.00000
    151       3.7094      0.00000
    152       3.7328      0.00000
    153       3.8272      0.00000
    154       3.8696      0.00000
    155       3.9252      0.00000
    156       3.9834      0.00000
    157       3.9914      0.00000
    158       4.0196      0.00000
    159       4.0586      0.00000
    160       4.1051      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3835      1.00000
      2     -21.8256      1.00000
      3     -21.6343      1.00000
      4     -21.6004      1.00000
      5     -21.2728      1.00000
      6     -21.2263      1.00000
      7     -21.0519      1.00000
      8     -20.1672      1.00000
      9     -20.1218      1.00000
     10     -19.6091      1.00000
     11     -19.5835      1.00000
     12     -19.4145      1.00000
     13     -19.0909      1.00000
     14     -19.0504      1.00000
     15     -19.0470      1.00000
     16     -19.0354      1.00000
     17     -18.3608      1.00000
     18     -18.3416      1.00000
     19     -18.0205      1.00000
     20     -17.0767      1.00000
     21     -17.0301      1.00000
     22     -16.9445      1.00000
     23     -16.9303      1.00000
     24     -16.4630      1.00000
     25     -16.4516      1.00000
     26     -15.6085      1.00000
     27     -15.6079      1.00000
     28     -15.2586      1.00000
     29     -15.2470      1.00000
     30     -15.1848      1.00000
     31     -15.0919      1.00000
     32     -15.0576      1.00000
     33     -14.6957      1.00000
     34     -14.6947      1.00000
     35     -13.7251      1.00000
     36     -13.7250      1.00000
     37     -13.2330      1.00000
     38     -12.6183      1.00000
     39     -12.5732      1.00000
     40     -12.4492      1.00000
     41     -12.4442      1.00000
     42     -12.1161      1.00000
     43     -12.1110      1.00000
     44     -11.7183      1.00000
     45     -11.6804      1.00000
     46     -11.2385      1.00000
     47     -11.2170      1.00000
     48     -11.0173      1.00000
     49     -11.0059      1.00000
     50     -10.9300      1.00000
     51     -10.9018      1.00000
     52     -10.6301      1.00000
     53     -10.1624      1.00000
     54     -10.1376      1.00000
     55     -10.0818      1.00000
     56      -9.9852      1.00000
     57      -9.7022      1.00000
     58      -9.6954      1.00000
     59      -9.6662      1.00000
     60      -9.5907      1.00000
     61      -9.5680      1.00000
     62      -9.5483      1.00000
     63      -9.3129      1.00000
     64      -9.3020      1.00000
     65      -9.2786      1.00000
     66      -9.2391      1.00000
     67      -9.1183      1.00000
     68      -9.1112      1.00000
     69      -9.1096      1.00000
     70      -8.9373      1.00000
     71      -8.8731      1.00000
     72      -8.6129      1.00000
     73      -8.5954      1.00000
     74      -8.2691      1.00000
     75      -8.0963      1.00000
     76      -7.8712      1.00000
     77      -7.8426      1.00000
     78      -7.7881      1.00000
     79      -7.7675      1.00000
     80      -7.7572      1.00000
     81      -7.4381      1.00000
     82      -7.3281      1.00000
     83      -7.3147      1.00000
     84      -7.2578      1.00000
     85      -7.1586      1.00000
     86      -7.0244      1.00000
     87      -6.9894      1.00000
     88      -6.7103      1.00000
     89      -6.6860      1.00000
     90      -6.6343      1.00000
     91      -6.5904      1.00000
     92      -6.1050      1.00000
     93      -6.0665      1.00000
     94      -6.0382      1.00000
     95      -6.0324      1.00000
     96      -5.7606      1.00000
     97      -4.9662      1.00000
     98      -4.8343      1.00000
     99      -4.7185      1.00000
    100      -4.6853      1.00000
    101      -4.4773      1.00000
    102      -4.3427      1.00000
    103      -4.1042      1.00000
    104      -4.0497      1.00000
    105      -3.7495      1.00000
    106      -3.4592      1.00000
    107      -1.9611      0.00000
    108      -1.7860      0.00000
    109      -1.4850      0.00000
    110      -1.3625      0.00000
    111      -1.3326      0.00000
    112      -1.2839      0.00000
    113      -0.6747      0.00000
    114      -0.4752      0.00000
    115      -0.2427      0.00000
    116       0.0426      0.00000
    117       0.5872      0.00000
    118       0.6837      0.00000
    119       0.7590      0.00000
    120       1.0168      0.00000
    121       1.0970      0.00000
    122       1.1736      0.00000
    123       1.2481      0.00000
    124       1.3351      0.00000
    125       1.4370      0.00000
    126       1.5912      0.00000
    127       1.7489      0.00000
    128       1.8343      0.00000
    129       1.8423      0.00000
    130       1.8819      0.00000
    131       2.0326      0.00000
    132       2.2128      0.00000
    133       2.2323      0.00000
    134       2.2771      0.00000
    135       2.4835      0.00000
    136       2.5697      0.00000
    137       2.6271      0.00000
    138       2.7516      0.00000
    139       2.7925      0.00000
    140       2.8320      0.00000
    141       2.8412      0.00000
    142       2.8473      0.00000
    143       2.9370      0.00000
    144       3.0791      0.00000
    145       3.2976      0.00000
    146       3.3586      0.00000
    147       3.3765      0.00000
    148       3.3860      0.00000
    149       3.4185      0.00000
    150       3.5624      0.00000
    151       3.6226      0.00000
    152       3.6784      0.00000
    153       3.7244      0.00000
    154       3.8862      0.00000
    155       3.9209      0.00000
    156       3.9489      0.00000
    157       4.1065      0.00000
    158       4.1890      0.00000
    159       4.2392      0.00000
    160       4.3631      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2045      1.00000
      2     -22.1127      1.00000
      3     -21.9499      1.00000
      4     -21.3978      1.00000
      5     -21.0409      1.00000
      6     -21.0129      1.00000
      7     -20.4907      1.00000
      8     -20.4613      1.00000
      9     -20.2830      1.00000
     10     -20.2811      1.00000
     11     -19.9500      1.00000
     12     -19.8862      1.00000
     13     -18.8759      1.00000
     14     -18.8077      1.00000
     15     -18.3387      1.00000
     16     -18.3190      1.00000
     17     -18.1449      1.00000
     18     -18.1373      1.00000
     19     -17.8165      1.00000
     20     -17.7977      1.00000
     21     -17.2503      1.00000
     22     -17.2313      1.00000
     23     -17.1747      1.00000
     24     -17.1255      1.00000
     25     -16.0991      1.00000
     26     -15.8797      1.00000
     27     -15.8689      1.00000
     28     -15.8261      1.00000
     29     -15.2461      1.00000
     30     -14.5463      1.00000
     31     -14.5282      1.00000
     32     -14.2908      1.00000
     33     -13.9709      1.00000
     34     -13.9457      1.00000
     35     -13.8175      1.00000
     36     -13.7942      1.00000
     37     -13.6082      1.00000
     38     -13.5823      1.00000
     39     -13.3618      1.00000
     40     -12.6256      1.00000
     41     -12.1731      1.00000
     42     -12.1458      1.00000
     43     -12.0693      1.00000
     44     -12.0210      1.00000
     45     -11.6632      1.00000
     46     -11.6584      1.00000
     47     -11.1328      1.00000
     48     -11.1223      1.00000
     49     -10.7888      1.00000
     50     -10.7311      1.00000
     51     -10.5293      1.00000
     52     -10.2105      1.00000
     53     -10.2041      1.00000
     54     -10.1655      1.00000
     55     -10.0177      1.00000
     56      -9.9888      1.00000
     57      -9.9855      1.00000
     58      -9.8058      1.00000
     59      -9.7968      1.00000
     60      -9.7596      1.00000
     61      -9.7510      1.00000
     62      -9.4498      1.00000
     63      -9.4107      1.00000
     64      -9.0801      1.00000
     65      -9.0411      1.00000
     66      -9.0219      1.00000
     67      -8.9840      1.00000
     68      -8.8962      1.00000
     69      -8.7120      1.00000
     70      -8.7031      1.00000
     71      -8.5605      1.00000
     72      -8.5502      1.00000
     73      -8.4790      1.00000
     74      -8.4667      1.00000
     75      -8.4598      1.00000
     76      -8.3036      1.00000
     77      -8.0936      1.00000
     78      -8.0889      1.00000
     79      -7.9133      1.00000
     80      -7.8279      1.00000
     81      -7.5934      1.00000
     82      -7.5540      1.00000
     83      -7.4466      1.00000
     84      -7.3003      1.00000
     85      -6.9833      1.00000
     86      -6.9130      1.00000
     87      -6.8678      1.00000
     88      -6.5405      1.00000
     89      -6.5157      1.00000
     90      -6.4854      1.00000
     91      -6.4121      1.00000
     92      -5.9304      1.00000
     93      -5.9113      1.00000
     94      -5.7878      1.00000
     95      -5.7714      1.00000
     96      -5.3745      1.00000
     97      -5.3628      1.00000
     98      -5.2364      1.00000
     99      -5.2118      1.00000
    100      -5.1918      1.00000
    101      -4.7088      1.00000
    102      -4.4352      1.00000
    103      -4.1857      1.00000
    104      -3.8142      1.00000
    105      -3.5570      1.00000
    106      -3.2119      1.00000
    107      -2.5790      0.00000
    108      -1.4704      0.00000
    109      -1.2577      0.00000
    110      -1.1999      0.00000
    111      -1.1924      0.00000
    112      -0.6462      0.00000
    113      -0.5508      0.00000
    114      -0.4164      0.00000
    115      -0.3524      0.00000
    116      -0.0796      0.00000
    117      -0.0618      0.00000
    118       0.1231      0.00000
    119       0.5799      0.00000
    120       0.6146      0.00000
    121       0.8533      0.00000
    122       0.9850      0.00000
    123       1.0030      0.00000
    124       1.4901      0.00000
    125       1.6874      0.00000
    126       1.7650      0.00000
    127       1.8524      0.00000
    128       2.1026      0.00000
    129       2.1088      0.00000
    130       2.1879      0.00000
    131       2.1989      0.00000
    132       2.2322      0.00000
    133       2.3196      0.00000
    134       2.4920      0.00000
    135       2.4960      0.00000
    136       2.6683      0.00000
    137       2.8468      0.00000
    138       2.8550      0.00000
    139       2.9469      0.00000
    140       2.9805      0.00000
    141       3.0485      0.00000
    142       3.1354      0.00000
    143       3.1727      0.00000
    144       3.2348      0.00000
    145       3.2431      0.00000
    146       3.2775      0.00000
    147       3.3014      0.00000
    148       3.3516      0.00000
    149       3.4060      0.00000
    150       3.5330      0.00000
    151       3.5617      0.00000
    152       3.6383      0.00000
    153       3.6431      0.00000
    154       3.6877      0.00000
    155       3.7111      0.00000
    156       3.8994      0.00000
    157       3.9599      0.00000
    158       4.0263      0.00000
    159       4.0739      0.00000
    160       4.1787      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2775      1.00000
      2     -22.0728      1.00000
      3     -21.7130      1.00000
      4     -21.6749      1.00000
      5     -20.9771      1.00000
      6     -20.9300      1.00000
      7     -20.6062      1.00000
      8     -20.5758      1.00000
      9     -20.5612      1.00000
     10     -20.0298      1.00000
     11     -19.5056      1.00000
     12     -19.4764      1.00000
     13     -19.3039      1.00000
     14     -19.2913      1.00000
     15     -18.4489      1.00000
     16     -18.4065      1.00000
     17     -17.9219      1.00000
     18     -17.9022      1.00000
     19     -17.7675      1.00000
     20     -17.7232      1.00000
     21     -17.4362      1.00000
     22     -17.4183      1.00000
     23     -17.3489      1.00000
     24     -16.4590      1.00000
     25     -16.4492      1.00000
     26     -15.9570      1.00000
     27     -15.4079      1.00000
     28     -15.4071      1.00000
     29     -15.0930      1.00000
     30     -15.0896      1.00000
     31     -14.8666      1.00000
     32     -14.8550      1.00000
     33     -14.2913      1.00000
     34     -14.2471      1.00000
     35     -13.4386      1.00000
     36     -13.3942      1.00000
     37     -13.1775      1.00000
     38     -13.1760      1.00000
     39     -12.9754      1.00000
     40     -12.9665      1.00000
     41     -12.6165      1.00000
     42     -12.6142      1.00000
     43     -12.1951      1.00000
     44     -11.5774      1.00000
     45     -11.5369      1.00000
     46     -11.3128      1.00000
     47     -11.2832      1.00000
     48     -11.1402      1.00000
     49     -10.6858      1.00000
     50     -10.6570      1.00000
     51     -10.5419      1.00000
     52     -10.3230      1.00000
     53     -10.3158      1.00000
     54     -10.1703      1.00000
     55     -10.1176      1.00000
     56     -10.1053      1.00000
     57      -9.8058      1.00000
     58      -9.7492      1.00000
     59      -9.7487      1.00000
     60      -9.7010      1.00000
     61      -9.6957      1.00000
     62      -9.6409      1.00000
     63      -9.3493      1.00000
     64      -9.3483      1.00000
     65      -9.3137      1.00000
     66      -9.0250      1.00000
     67      -8.9672      1.00000
     68      -8.9620      1.00000
     69      -8.7717      1.00000
     70      -8.5911      1.00000
     71      -8.5838      1.00000
     72      -8.4226      1.00000
     73      -8.3488      1.00000
     74      -8.3289      1.00000
     75      -8.3094      1.00000
     76      -8.2760      1.00000
     77      -8.2680      1.00000
     78      -8.2411      1.00000
     79      -7.9229      1.00000
     80      -7.7354      1.00000
     81      -7.3660      1.00000
     82      -7.3347      1.00000
     83      -7.3099      1.00000
     84      -7.2103      1.00000
     85      -7.1521      1.00000
     86      -7.0606      1.00000
     87      -6.9528      1.00000
     88      -6.9001      1.00000
     89      -6.6263      1.00000
     90      -6.5461      1.00000
     91      -6.2867      1.00000
     92      -5.9995      1.00000
     93      -5.9649      1.00000
     94      -5.6691      1.00000
     95      -5.6423      1.00000
     96      -5.3939      1.00000
     97      -5.3270      1.00000
     98      -5.2996      1.00000
     99      -5.2105      1.00000
    100      -5.1977      1.00000
    101      -4.5035      1.00000
    102      -4.3295      1.00000
    103      -3.9867      1.00000
    104      -3.8782      1.00000
    105      -3.7863      1.00000
    106      -3.4370      1.00000
    107      -2.0480      0.00000
    108      -1.8806      0.00000
    109      -1.2228      0.00000
    110      -1.1745      0.00000
    111      -1.0435      0.00000
    112      -0.7780      0.00000
    113      -0.6763      0.00000
    114      -0.6663      0.00000
    115      -0.6047      0.00000
    116      -0.1081      0.00000
    117       0.2246      0.00000
    118       0.2376      0.00000
    119       0.7689      0.00000
    120       0.9814      0.00000
    121       1.0697      0.00000
    122       1.2306      0.00000
    123       1.2440      0.00000
    124       1.3398      0.00000
    125       1.5667      0.00000
    126       1.5723      0.00000
    127       1.6985      0.00000
    128       1.7881      0.00000
    129       1.9461      0.00000
    130       1.9636      0.00000
    131       2.0449      0.00000
    132       2.2601      0.00000
    133       2.3378      0.00000
    134       2.4156      0.00000
    135       2.5324      0.00000
    136       2.6148      0.00000
    137       2.7408      0.00000
    138       2.8140      0.00000
    139       2.8424      0.00000
    140       2.8647      0.00000
    141       3.0343      0.00000
    142       3.0979      0.00000
    143       3.1525      0.00000
    144       3.2165      0.00000
    145       3.3647      0.00000
    146       3.4058      0.00000
    147       3.5096      0.00000
    148       3.5321      0.00000
    149       3.5821      0.00000
    150       3.6040      0.00000
    151       3.6467      0.00000
    152       3.7253      0.00000
    153       3.7353      0.00000
    154       3.7547      0.00000
    155       3.7857      0.00000
    156       3.8578      0.00000
    157       4.0202      0.00000
    158       4.0819      0.00000
    159       4.1605      0.00000
    160       4.2186      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0454   -7.4026    4.1997   -1.2764   -0.2373   17.5633    0.1365   -0.5288    0.6314   -0.4663
x    -3.0893   -0.0368   -0.0631    0.0619   -0.0126   -2.9750   -0.0083   -0.0069    0.0048    0.0015
x    -0.0954    0.0018   -0.0013    0.0004    0.0002   -0.0238   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0454    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0037    0.0000    0.0002    0.0004    0.0006   -0.0969   -0.0089    0.0361    0.0399
y    -0.0452   -3.2453   -0.5413   -0.1661   -1.1996   -0.6063
z   204.0454    1.1123   -0.3106    0.0500    0.0221    0.0890   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1121    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7515
z    -0.2218    0.2326   -0.0564    0.0609   -0.0927    0.0008
 total charge-density along one line
x   212.0000  -10.2343    6.1484   -2.0866   -0.4730   19.4789   -1.0084    0.4789   -0.0482   -0.1263
x    -2.6416   -0.0271   -0.0609    0.0847   -0.0558   -2.2233   -0.0229   -0.0024    0.0051    0.0021
x    -0.0885    0.0061   -0.0050    0.0027   -0.0008   -0.0357   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2343    6.1484   -2.0866   -0.4730   19.4789   -1.0084    0.4789   -0.0482   -0.1263
y    -2.6416   -0.0271   -0.0609    0.0847   -0.0558   -2.2233   -0.0229   -0.0024    0.0051    0.0021
y    -0.0885    0.0061   -0.0050    0.0027   -0.0008   -0.0357   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3205  188.8849 -170.1286  154.0280 -140.4600  126.7442 -111.3551   95.0001  -79.1985
z    64.8238  -52.0292   40.9306  -31.8656   24.9973  -19.9348   15.9098  -12.3181    9.0491   -6.3302
z     4.3357   -2.9738    1.9921   -1.2035    0.5772   -0.1498   -0.0968    0.2505   -0.3888    0.5143
z    -0.5785    0.5545   -0.4739    0.3961   -0.3541    0.3355   -0.3099    0.2647   -0.2121    0.1702
z    -0.1437    0.1246   -0.1043    0.0828   -0.0652    0.0545   -0.0484    0.0426   -0.0356    0.0288
z    -0.0240    0.0211   -0.0187    0.0159   -0.0129    0.0103   -0.0082    0.0064   -0.0048    0.0035
z    -0.0025    0.0015   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.838   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.003   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.100   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.838   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.003   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.100   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.068   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.213   0.000   0.000   0.269   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.302   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.213   0.000   1.566   0.000   0.000  -0.310   0.000   0.626   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.131   0.000  -0.033  -0.278   0.081   0.000  -0.093   0.000   0.000
  0.000   0.269   0.000  -0.310   0.000   0.000   0.155   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.068   0.000   0.302   0.000   0.037  -0.131   0.000   0.413   0.000   0.077   0.585  -0.237   0.000   0.061   0.000   0.000
  0.000  -0.310   0.000   0.626   0.000   0.000  -0.190   0.000   0.374   0.000   0.000   0.000  -0.050   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.026  -0.033   0.000   0.077   0.000   0.040   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.278   0.000   0.585   0.000   0.163   1.366  -0.419   0.000   0.283   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.081   0.000  -0.237   0.000  -0.047  -0.419   0.174   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.050   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.061   0.000   0.053   0.283  -0.035   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.029   8.931
  2        0.520   0.027   0.000   0.547
  3        0.520   0.027   0.000   0.547
  4        0.864   1.782   0.000   2.646
  5        0.864   1.783   0.000   2.646
  6        0.863   1.781   0.000   2.645
  7        0.864   1.782   0.000   2.646
  8        0.863   1.781   0.000   2.645
  9        0.863   1.782   0.000   2.646
 10        0.864   1.784   0.000   2.647
 11        0.864   1.782   0.000   2.646
 12        0.863   1.784   0.000   2.647
 13        0.863   1.782   0.000   2.645
 14        0.864   1.782   0.000   2.646
 15        0.864   1.783   0.000   2.647
 16        0.864   1.774   0.000   2.637
 17        0.860   1.780   0.000   2.640
 18        0.863   1.784   0.000   2.647
 19        0.863   1.782   0.000   2.645
 20        0.863   1.782   0.000   2.645
 21        0.863   1.780   0.000   2.644
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.781   0.000   2.645
 25        0.864   1.781   0.000   2.644
 26        0.863   1.781   0.000   2.644
 27        0.864   1.782   0.000   2.646
 28        0.864   1.783   0.000   2.647
 29        0.864   1.781   0.000   2.645
 30        0.864   1.783   0.000   2.647
 31        0.864   1.782   0.000   2.646
 32        0.863   1.781   0.000   2.644
 33        0.864   1.781   0.000   2.644
 34        0.863   1.782   0.000   2.645
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.863   1.780   0.000   2.644
 38        0.863   1.782   0.000   2.645
 39        0.864   1.782   0.000   2.646
 40        0.863   1.784   0.000   2.647
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.637
 43        0.864   1.783   0.000   2.647
 44        0.863   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.784   0.000   2.647
 47        0.864   1.782   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.782   0.000   2.646
 50        0.863   1.781   0.000   2.645
 51        0.864   1.782   0.000   2.646
 52        0.863   1.781   0.000   2.645
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.853  89.373   8.029 142.255
 


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


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


    CHARGE:  VPU time  114.14: CPU time   57.45
    FORLOC:  VPU time    1.11: CPU time    1.10
    FORNL :  VPU time  440.45: CPU time  220.82
    STRESS:  VPU time 1322.05: CPU time  664.80
    FORCOR:  VPU time    8.62: CPU time    8.62
    FORHAR:  VPU time    2.03: CPU time    2.04
    MIXING:  VPU time    0.26: CPU time    0.25


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.723863 eV

  energy  without entropy=     -471.723863  energy(sigma->0) =     -471.723863
 

  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    40750.49  40717.40 -47450.08    -28.65      0.00      0.00
  Hartree  40181.71  40166.98 -39440.06    -12.75      0.00      0.00
  E(xc)     -779.28   -779.54   -807.19     -0.23      0.00      0.00
  Local   -83217.45 -83176.94  84205.35     35.08      0.00      0.00
  n-local   -216.55   -215.55   -203.41      0.59      0.00      0.00
  augment     20.09     22.07     17.84      1.71      0.00      0.00
  Kinetic   3161.09   3174.91   3583.22      3.68      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -2.25     -0.44     -0.40      1.57      0.00      0.00
  in kB       -1.37     -0.27     -0.25      0.95      0.00      0.00
  external pressure =       -0.63 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
    12.353473944 -0.005173939  0.000000000     0.080968488  0.046792472  0.000000000
    -6.181224378 10.695831274  0.000000000     0.000039167  0.093517004  0.000000000
     0.000000000  0.000000000 19.970385622     0.000000000  0.000000000  0.050074146

  length of vectors
    12.353475028 12.353474874 19.970385622     0.093517012  0.093517013  0.050074146


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.575E-05 -.480E-04 -.950E+03   0.419E-05 -.275E-04 0.959E+03   -.847E-21 -.847E-21 -.868E+01   -.441E-09 0.104E-09 -.152E-02
   0.321E+02 -.186E+02 -.135E+03   -.337E+02 0.194E+02 0.137E+03   0.153E+01 -.885E+00 -.253E+01   0.906E-04 -.530E-04 -.350E-03
   -.321E+02 0.186E+02 -.135E+03   0.337E+02 -.194E+02 0.137E+03   -.153E+01 0.885E+00 -.253E+01   -.906E-04 0.530E-04 -.350E-03
   -.233E+01 0.135E+01 0.134E+02   0.237E+01 -.137E+01 -.134E+02   0.176E-01 -.101E-01 -.332E-01   -.711E-05 0.118E-05 -.199E-03
   0.595E+01 0.708E+01 0.164E+02   -.591E+01 -.713E+01 -.163E+02   0.200E-01 0.583E-02 -.397E-01   0.908E-04 -.190E-06 -.206E-03
   0.108E+02 0.534E+01 0.167E+02   -.108E+02 -.537E+01 -.166E+02   0.447E-01 -.580E-03 -.467E-01   0.117E-03 0.902E-04 0.618E-04
   0.430E+01 -.653E+00 0.155E+02   -.428E+01 0.633E+00 -.155E+02   0.335E-01 -.188E-01 -.636E-02   0.661E-04 0.433E-04 0.204E-03
   -.343E+01 -.232E+01 0.138E+02   0.347E+01 0.230E+01 -.138E+02   0.201E-01 -.102E-01 -.554E-02   0.891E-05 0.647E-06 0.707E-04
   0.293E+00 0.413E+01 0.138E+02   -.251E+00 -.416E+01 -.138E+02   0.189E-01 -.123E-01 -.554E-02   -.149E-05 -.141E-04 0.675E-04
   0.211E+01 0.191E+02 0.228E+02   -.207E+01 -.192E+02 -.227E+02   0.215E-01 0.789E-01 -.327E-01   -.201E-04 0.628E-04 -.603E-04
   0.223E+02 0.217E+02 0.401E+02   -.223E+02 -.220E+02 -.400E+02   0.101E+00 0.237E+00 -.801E-01   0.104E-03 0.136E-03 0.390E-04
   0.263E+02 -.324E+01 0.259E+02   -.265E+02 0.333E+01 -.259E+02   0.287E+00 -.118E+00 -.275E-01   0.134E-03 0.192E-03 0.143E-03
   0.867E+01 -.500E+01 0.156E+02   -.866E+01 0.500E+01 -.155E+02   0.690E-01 -.398E-01 -.106E-01   0.200E-03 -.122E-03 0.180E-03
   0.272E+01 -.340E+01 0.155E+02   -.269E+01 0.339E+01 -.155E+02   0.330E-01 -.196E-01 -.636E-02   -.667E-05 -.831E-04 0.196E-03
   -.632E+01 0.137E+02 0.175E+02   0.637E+01 -.138E+02 -.175E+02   0.279E-01 0.586E-01 -.535E-01   -.588E-04 0.191E-03 0.150E-03
   -.123E+02 0.362E+02 0.468E+02   0.124E+02 -.369E+02 -.470E+02   -.500E-02 0.583E+00 0.298E+00   0.613E-04 0.555E-04 0.120E-03
   0.232E+02 -.134E+02 0.917E+02   -.238E+02 0.137E+02 -.937E+02   0.650E+00 -.375E+00 0.202E+01   0.774E-05 -.710E-05 0.252E-03
   0.160E+02 -.212E+02 0.259E+02   -.161E+02 0.213E+02 -.259E+02   0.246E+00 -.189E+00 -.275E-01   -.102E-03 -.219E-03 0.139E-03
   0.793E+00 -.120E+02 0.167E+02   -.748E+00 0.120E+02 -.166E+02   0.228E-01 -.384E-01 -.467E-01   -.164E-04 -.148E-03 0.569E-04
   -.444E+01 0.209E+01 0.143E+02   0.448E+01 -.213E+01 -.142E+02   0.228E-01 -.602E-03 -.306E-01   -.638E-04 0.870E-04 0.156E-03
   -.195E+02 0.113E+02 0.220E+02   0.196E+02 -.113E+02 -.220E+02   -.276E-01 0.159E-01 -.642E-01   -.174E-03 0.104E-03 0.177E-03
   -.375E+02 -.746E+01 0.468E+02   0.381E+02 0.771E+01 -.470E+02   -.507E+00 -.287E+00 0.298E+00   -.143E-04 -.816E-04 0.123E-03
   -.763E+01 -.301E+02 0.401E+02   0.787E+01 0.303E+02 -.400E+02   -.154E+00 -.206E+00 -.801E-01   -.621E-04 -.163E-03 0.373E-04
   -.316E+01 -.869E+01 0.164E+02   0.322E+01 0.868E+01 -.163E+02   0.495E-02 -.202E-01 -.397E-01   0.473E-04 -.804E-04 -.207E-03
   0.106E+01 -.611E+00 0.127E+02   -.102E+01 0.589E+00 -.127E+02   0.212E-01 -.122E-01 -.347E-01   0.805E-04 -.444E-04 -.234E-04
   -.403E+01 0.280E+01 0.143E+02   0.408E+01 -.282E+01 -.142E+02   0.119E-01 -.195E-01 -.306E-01   -.106E-03 0.163E-04 0.160E-03
   -.150E+02 -.139E+01 0.175E+02   0.152E+02 0.140E+01 -.175E+02   -.368E-01 -.535E-01 -.535E-01   -.193E-03 -.462E-04 0.157E-03
   -.155E+02 -.114E+02 0.228E+02   0.156E+02 0.114E+02 -.227E+02   -.576E-01 -.580E-01 -.327E-01   -.627E-04 -.192E-04 -.578E-04
   0.316E+01 0.869E+01 0.164E+02   -.322E+01 -.868E+01 -.163E+02   -.495E-02 0.202E-01 -.397E-01   -.473E-04 0.804E-04 -.207E-03
   0.155E+02 0.114E+02 0.228E+02   -.156E+02 -.114E+02 -.227E+02   0.576E-01 0.580E-01 -.327E-01   0.627E-04 0.192E-04 -.578E-04
   0.150E+02 0.139E+01 0.175E+02   -.152E+02 -.140E+01 -.175E+02   0.368E-01 0.535E-01 -.535E-01   0.193E-03 0.462E-04 0.157E-03
   0.403E+01 -.280E+01 0.143E+02   -.408E+01 0.282E+01 -.142E+02   -.119E-01 0.195E-01 -.306E-01   0.106E-03 -.163E-04 0.160E-03
   -.106E+01 0.612E+00 0.127E+02   0.102E+01 -.589E+00 -.127E+02   -.212E-01 0.122E-01 -.347E-01   -.805E-04 0.444E-04 -.234E-04
   -.793E+00 0.120E+02 0.167E+02   0.748E+00 -.120E+02 -.166E+02   -.228E-01 0.384E-01 -.467E-01   0.164E-04 0.148E-03 0.569E-04
   0.763E+01 0.301E+02 0.401E+02   -.787E+01 -.303E+02 -.400E+02   0.154E+00 0.206E+00 -.801E-01   0.621E-04 0.163E-03 0.373E-04
   0.375E+02 0.746E+01 0.468E+02   -.381E+02 -.771E+01 -.470E+02   0.507E+00 0.287E+00 0.298E+00   0.143E-04 0.816E-04 0.123E-03
   0.195E+02 -.113E+02 0.220E+02   -.196E+02 0.113E+02 -.220E+02   0.276E-01 -.159E-01 -.642E-01   0.174E-03 -.104E-03 0.177E-03
   0.444E+01 -.209E+01 0.143E+02   -.448E+01 0.213E+01 -.142E+02   -.228E-01 0.602E-03 -.306E-01   0.638E-04 -.870E-04 0.156E-03
   -.272E+01 0.340E+01 0.155E+02   0.269E+01 -.339E+01 -.155E+02   -.330E-01 0.196E-01 -.636E-02   0.667E-05 0.831E-04 0.196E-03
   -.160E+02 0.212E+02 0.259E+02   0.161E+02 -.213E+02 -.259E+02   -.246E+00 0.189E+00 -.275E-01   0.102E-03 0.219E-03 0.139E-03
   -.232E+02 0.134E+02 0.917E+02   0.238E+02 -.137E+02 -.937E+02   -.650E+00 0.375E+00 0.202E+01   -.774E-05 0.710E-05 0.252E-03
   0.123E+02 -.362E+02 0.468E+02   -.124E+02 0.369E+02 -.470E+02   0.500E-02 -.583E+00 0.298E+00   -.613E-04 -.555E-04 0.120E-03
   0.632E+01 -.137E+02 0.175E+02   -.637E+01 0.138E+02 -.175E+02   -.279E-01 -.586E-01 -.535E-01   0.588E-04 -.191E-03 0.150E-03
   -.293E+00 -.413E+01 0.138E+02   0.251E+00 0.416E+01 -.138E+02   -.189E-01 0.123E-01 -.554E-02   0.149E-05 0.141E-04 0.675E-04
   -.867E+01 0.500E+01 0.156E+02   0.866E+01 -.500E+01 -.155E+02   -.690E-01 0.398E-01 -.106E-01   -.200E-03 0.122E-03 0.180E-03
   -.263E+02 0.324E+01 0.259E+02   0.265E+02 -.333E+01 -.259E+02   -.287E+00 0.118E+00 -.275E-01   -.134E-03 -.192E-03 0.143E-03
   -.223E+02 -.217E+02 0.401E+02   0.223E+02 0.220E+02 -.400E+02   -.101E+00 -.237E+00 -.801E-01   -.104E-03 -.136E-03 0.390E-04
   -.211E+01 -.191E+02 0.228E+02   0.207E+01 0.192E+02 -.227E+02   -.215E-01 -.789E-01 -.327E-01   0.201E-04 -.628E-04 -.603E-04
   0.233E+01 -.135E+01 0.134E+02   -.237E+01 0.137E+01 -.134E+02   -.176E-01 0.101E-01 -.332E-01   0.711E-05 -.118E-05 -.199E-03
   0.343E+01 0.232E+01 0.138E+02   -.347E+01 -.230E+01 -.138E+02   -.201E-01 0.102E-01 -.554E-02   -.891E-05 -.647E-06 0.707E-04
   -.430E+01 0.653E+00 0.155E+02   0.428E+01 -.633E+00 -.155E+02   -.335E-01 0.188E-01 -.636E-02   -.661E-04 -.433E-04 0.204E-03
   -.108E+02 -.534E+01 0.167E+02   0.108E+02 0.537E+01 -.166E+02   -.447E-01 0.580E-03 -.467E-01   -.117E-03 -.902E-04 0.618E-04
   -.595E+01 -.708E+01 0.164E+02   0.591E+01 0.713E+01 -.163E+02   -.200E-01 -.583E-02 -.397E-01   -.908E-04 0.190E-06 -.206E-03
 -----------------------------------------------------------------------------------------------
   -.188E-02 0.342E-03 0.101E+02   0.959E-13 -.169E-12 0.508E-12   -.833E-16 0.443E-15 -.101E+02   -.729E-09 0.118E-09 0.126E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85048      6.05873     12.32907         0.000000      0.000000      0.043759
      1.07536      6.50624     13.59195         0.012997     -0.007504     -0.025095
      2.62560      5.61121     13.59195        -0.012997      0.007504     -0.025095
     12.35306     -0.00494      9.97287         0.056578     -0.032665     -0.009877
     11.11666      2.13307      9.97294         0.055974     -0.039827     -0.007325
      9.87948      4.27318      9.97802         0.070373     -0.037468      0.004999
      8.64391      6.41265      9.97504         0.059885     -0.038515      0.010519
      7.40807      8.55174      9.97316         0.062189     -0.034050      0.001368
      2.47027     -0.00079      9.97316         0.060583     -0.036832      0.001368
      1.23327      2.13736      9.97637         0.065568     -0.054978      0.008539
     -0.00494      4.27233      9.99108         0.073239     -0.056126     -0.015200
     -1.24244      6.41725     10.00191         0.062968     -0.034270      0.006455
     -2.47526      8.55619      9.97940         0.072898     -0.042088      0.004556
      4.94069     -0.00152      9.97504         0.063297     -0.032604      0.010519
      3.70480      2.13563      9.98442         0.074968     -0.037720     -0.006997
      2.46897      4.26859     10.02338         0.076532     -0.052587      0.001111
      1.22656      6.41895     10.03242         0.058619     -0.033844      0.013168
     -0.00647      8.55801     10.00191         0.061163     -0.037397      0.006455
      7.41131     -0.00181      9.97802         0.067635     -0.042211      0.004999
      6.17507      2.13631      9.97473         0.063120     -0.033930      0.010476
      4.93963      4.27521      9.99488         0.071543     -0.041305     -0.023020
      3.71004      6.41817     10.02338         0.083807     -0.039985      0.001111
      2.46984      8.55877      9.99108         0.085226     -0.035364     -0.015200
      9.88330     -0.00319      9.97294         0.062478     -0.028562     -0.007325
      8.64601      2.13533      9.97285         0.060285     -0.034805     -0.009499
      7.40969      4.27474      9.97473         0.060945     -0.037698      0.010476
      6.17514      6.41439      9.98442         0.070151     -0.046064     -0.006997
      4.93788      8.55394      9.97637         0.080397     -0.029294      0.008539
     -0.00112      1.42481      9.97294        -0.062478      0.028562     -0.007325
     -1.23692      3.56352      9.97637        -0.080397      0.029294      0.008539
     -2.47418      5.70307      9.98442        -0.070151      0.046064     -0.006997
     -3.70874      7.84272      9.97473        -0.060945      0.037698      0.010476
     -4.94506      9.98213      9.97285        -0.060285      0.034805     -0.009499
      2.47087      1.42344      9.97802        -0.067635      0.042211      0.004999
      1.23112      3.55869      9.99108        -0.085226      0.035364     -0.015200
     -0.00908      5.69929     10.02338        -0.083807      0.039985      0.001111
     -1.23867      7.84225      9.99488        -0.071543      0.041305     -0.023020
     -2.47411      9.98115      9.97473        -0.063120      0.033930      0.010476
      4.94149      1.42314      9.97504        -0.063297      0.032604      0.010519
      3.70743      3.55945     10.00191        -0.061163      0.037397      0.006455
      2.47440      5.69851     10.03242        -0.058619      0.033844      0.013168
      1.23198      7.84887     10.02338        -0.076532      0.052587      0.001111
     -0.00384      9.98182      9.98442        -0.074968      0.037720     -0.006997
      7.41191      1.42242      9.97316        -0.060583      0.036832      0.001368
      6.17622      3.56126      9.97940        -0.072898      0.042088      0.004556
      4.94340      5.70021     10.00191        -0.062968      0.034270      0.006455
      3.70590      7.84513      9.99108        -0.073239      0.056126     -0.015200
      2.46769      9.98010      9.97637        -0.065568      0.054978      0.008539
      9.88259      1.42139      9.97287        -0.056578      0.032665     -0.009877
      8.64636      3.56054      9.97316        -0.062189      0.034050      0.001368
      7.41052      5.69963      9.97504        -0.059885      0.038515      0.010519
      6.17495      7.83911      9.97802        -0.070373      0.037468      0.004999
      4.93777      9.97922      9.97294        -0.055974      0.039827     -0.007325
 -----------------------------------------------------------------------------------
    total drift:                               -0.001875      0.000342      0.000242


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




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


    WAVPRE:  VPU time    1.94: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  182.99: CPU time   91.56
     LOOP+:  VPU time25725.72: CPU time13296.70


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


    POTLOK:  VPU time    9.12: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1820.29: CPU time  932.20
 BZINTS: Fermi energy: -3.248997;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.36: CPU time   57.39
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1943.31: CPU time  999.12

 eigenvalue-minimisations  :  6040
 total energy-change (2. order) :-0.4716994E+03  (-0.2891375E+00)
 number of electron  212.0000013 magnetization    0.0000000
 augmentation part     7.9601111 magnetization   -0.0000004

 Broyden mixing:
  rms(total) = 0.57703E-01    rms(broyden)= 0.57671E-01
  rms(prec ) = 0.61811E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34066.68685582
  -1/2 Hartree   DENC   =    -40952.37766014
  -V(xc)+E(xc)   XCENC  =       726.41284124
  PAW double counting   =      4089.90661786    -4128.21650721
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2479.55140792
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.69940675 eV

  energy without entropy =     -471.69940675  energy(sigma->0) =     -471.69940675


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




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


    POTLOK:  VPU time    8.99: CPU time    8.98
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1843.19: CPU time  955.64
 BZINTS: Fermi energy: -3.193462;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.33: CPU time   57.52
    MIXING:  VPU time    0.13: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1967.04: CPU time 1022.66

 eigenvalue-minimisations  :  6280
 total energy-change (2. order) : 0.1402896E-02  (-0.8244429E-02)
 number of electron  212.0000013 magnetization    0.0000000
 augmentation part     7.9593476 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.40641E-01    rms(broyden)= 0.40638E-01
  rms(prec ) = 0.43261E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4219
  2.4219

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34066.68685582
  -1/2 Hartree   DENC   =    -40953.75322598
  -V(xc)+E(xc)   XCENC  =       726.46233903
  PAW double counting   =      4091.78982168    -4130.11183749
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2478.21181051
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.69800385 eV

  energy without entropy =     -471.69800385  energy(sigma->0) =     -471.69800385


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




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


    POTLOK:  VPU time    8.47: CPU time    8.46
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1791.50: CPU time  922.87
 BZINTS: Fermi energy: -3.210276;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.58: CPU time   57.20
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1914.09: CPU time  989.05

 eigenvalue-minimisations  :  5992
 total energy-change (2. order) : 0.5197820E-02  (-0.1805527E-02)
 number of electron  212.0000013 magnetization    0.0000000
 augmentation part     7.9584006 magnetization   -0.0000003

 Broyden mixing:
  rms(total) = 0.68246E-02    rms(broyden)= 0.68220E-02
  rms(prec ) = 0.74438E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5724
  2.0212  1.1237

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34066.68685582
  -1/2 Hartree   DENC   =    -40956.26999745
  -V(xc)+E(xc)   XCENC  =       726.54822210
  PAW double counting   =      4094.54582665    -4132.88757585
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.75599090
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.69280603 eV

  energy without entropy =     -471.69280603  energy(sigma->0) =     -471.69280603


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




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


    POTLOK:  VPU time    8.49: CPU time    8.49
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1942.19: CPU time 1005.11
 BZINTS: Fermi energy: -3.219610;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.05: CPU time   57.11
    MIXING:  VPU time    0.18: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 2064.32: CPU time 1071.28

 eigenvalue-minimisations  :  6704
 total energy-change (2. order) :-0.2960191E-04  (-0.2646488E-03)
 number of electron  212.0000013 magnetization    0.0000000
 augmentation part     7.9576385 magnetization    0.0000002

 Broyden mixing:
  rms(total) = 0.24687E-02    rms(broyden)= 0.24685E-02
  rms(prec ) = 0.26652E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6685
  1.3249  1.4029  2.2778

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34066.68685582
  -1/2 Hartree   DENC   =    -40956.11193433
  -V(xc)+E(xc)   XCENC  =       726.53666747
  PAW double counting   =      4094.02464063    -4132.36094474
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.90797409
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.69283563 eV

  energy without entropy =     -471.69283563  energy(sigma->0) =     -471.69283563


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




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


    POTLOK:  VPU time    8.99: CPU time    8.99
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1366.59: CPU time  703.95
 BZINTS: Fermi energy: -3.224373;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1376.01: CPU time  713.32

 eigenvalue-minimisations  :  4056
 total energy-change (2. order) : 0.3263287E-05  (-0.6116663E-05)
 number of electron  212.0000013 magnetization    0.0000000
 augmentation part     7.9576385 magnetization    0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34066.68685582
  -1/2 Hartree   DENC   =    -40956.41084567
  -V(xc)+E(xc)   XCENC  =       726.53977104
  PAW double counting   =      4093.90297125    -4132.23675295
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.61468546
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.69283237 eV

  energy without entropy =     -471.69283237  energy(sigma->0) =     -471.69283237


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2085       2 -39.5563       3 -39.5564       4 -58.3197       5 -58.3227
       6 -58.3264       7 -58.3214       8 -58.3211       9 -58.3211      10 -58.3270
      11 -58.3925      12 -58.3579      13 -58.3301      14 -58.3214      15 -58.3310
      16 -58.5443      17 -58.7314      18 -58.3580      19 -58.3264      20 -58.3265
      21 -58.3648      22 -58.5443      23 -58.3926      24 -58.3227      25 -58.3287
      26 -58.3266      27 -58.3310      28 -58.3270      29 -58.3226      30 -58.3269
      31 -58.3309      32 -58.3265      33 -58.3286      34 -58.3263      35 -58.3924
      36 -58.5442      37 -58.3647      38 -58.3265      39 -58.3213      40 -58.3578
      41 -58.7313      42 -58.5442      43 -58.3309      44 -58.3210      45 -58.3299
      46 -58.3578      47 -58.3925      48 -58.3269      49 -58.3196      50 -58.3210
      51 -58.3213      52 -58.3263      53 -58.3226
 
 
 
 E-fermi :  -3.2244     XC(G=0):  -2.3734     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     -22.4291      1.00000
      2     -21.6030      1.00000
      3     -21.4857      1.00000
      4     -21.4764      1.00000
      5     -21.4448      1.00000
      6     -21.4446      1.00000
      7     -21.4333      1.00000
      8     -19.7095      1.00000
      9     -19.6535      1.00000
     10     -19.6369      1.00000
     11     -19.6206      1.00000
     12     -19.6201      1.00000
     13     -19.6145      1.00000
     14     -18.7971      1.00000
     15     -18.7506      1.00000
     16     -18.7447      1.00000
     17     -18.7324      1.00000
     18     -18.7185      1.00000
     19     -18.7170      1.00000
     20     -16.6648      1.00000
     21     -16.6125      1.00000
     22     -16.6023      1.00000
     23     -16.6019      1.00000
     24     -16.5448      1.00000
     25     -16.5187      1.00000
     26     -15.6798      1.00000
     27     -15.6328      1.00000
     28     -15.5723      1.00000
     29     -15.5677      1.00000
     30     -15.5373      1.00000
     31     -15.5358      1.00000
     32     -14.2758      1.00000
     33     -14.2636      1.00000
     34     -14.2340      1.00000
     35     -14.2292      1.00000
     36     -14.2255      1.00000
     37     -14.2241      1.00000
     38     -11.9339      1.00000
     39     -11.9049      1.00000
     40     -11.8970      1.00000
     41     -11.8832      1.00000
     42     -11.8143      1.00000
     43     -11.7986      1.00000
     44     -11.7840      1.00000
     45     -11.7685      1.00000
     46     -11.7435      1.00000
     47     -11.7339      1.00000
     48     -11.7299      1.00000
     49     -11.7116      1.00000
     50     -10.6783      1.00000
     51     -10.4417      1.00000
     52     -10.4353      1.00000
     53     -10.3562      1.00000
     54     -10.3500      1.00000
     55     -10.3345      1.00000
     56     -10.3276      1.00000
     57      -9.9062      1.00000
     58      -9.4500      1.00000
     59      -9.4112      1.00000
     60      -9.3691      1.00000
     61      -9.3631      1.00000
     62      -9.3573      1.00000
     63      -9.1612      1.00000
     64      -9.1295      1.00000
     65      -9.1054      1.00000
     66      -9.1041      1.00000
     67      -9.1027      1.00000
     68      -9.0842      1.00000
     69      -9.0767      1.00000
     70      -9.0731      1.00000
     71      -9.0498      1.00000
     72      -9.0279      1.00000
     73      -9.0266      1.00000
     74      -9.0254      1.00000
     75      -8.1482      1.00000
     76      -7.7303      1.00000
     77      -7.4888      1.00000
     78      -7.4731      1.00000
     79      -7.4711      1.00000
     80      -7.4497      1.00000
     81      -7.4021      1.00000
     82      -7.3906      1.00000
     83      -7.3247      1.00000
     84      -7.2678      1.00000
     85      -7.2655      1.00000
     86      -7.2483      1.00000
     87      -7.1650      1.00000
     88      -7.0478      1.00000
     89      -6.4636      1.00000
     90      -6.4363      1.00000
     91      -6.4185      1.00000
     92      -6.3694      1.00000
     93      -6.3407      1.00000
     94      -6.3188      1.00000
     95      -6.0506      1.00000
     96      -5.8755      1.00000
     97      -4.8175      1.00000
     98      -4.5504      1.00000
     99      -4.5026      1.00000
    100      -4.4600      1.00000
    101      -4.3839      1.00000
    102      -4.3451      1.00000
    103      -4.2819      1.00000
    104      -4.1922      1.00000
    105      -3.7384      1.00000
    106      -3.4726      1.00000
    107      -1.8324      0.00000
    108      -1.7381      0.00000
    109      -1.6844      0.00000
    110      -1.5644      0.00000
    111      -1.5602      0.00000
    112      -1.5523      0.00000
    113      -0.4205      0.00000
    114       0.1026      0.00000
    115       0.2083      0.00000
    116       0.2259      0.00000
    117       0.2713      0.00000
    118       0.2817      0.00000
    119       0.4842      0.00000
    120       0.5203      0.00000
    121       1.2174      0.00000
    122       1.2787      0.00000
    123       1.4844      0.00000
    124       1.7464      0.00000
    125       1.7488      0.00000
    126       1.7503      0.00000
    127       1.7958      0.00000
    128       1.8166      0.00000
    129       1.9426      0.00000
    130       1.9494      0.00000
    131       1.9603      0.00000
    132       1.9999      0.00000
    133       2.0002      0.00000
    134       2.0579      0.00000
    135       2.2062      0.00000
    136       2.3205      0.00000
    137       2.5557      0.00000
    138       2.5566      0.00000
    139       2.5764      0.00000
    140       2.6746      0.00000
    141       2.9174      0.00000
    142       3.0439      0.00000
    143       3.0554      0.00000
    144       3.0726      0.00000
    145       3.0902      0.00000
    146       3.0934      0.00000
    147       3.0952      0.00000
    148       3.2366      0.00000
    149       3.4237      0.00000
    150       3.4694      0.00000
    151       3.8159      0.00000
    152       3.9225      0.00000
    153       3.9256      0.00000
    154       3.9262      0.00000
    155       3.9372      0.00000
    156       3.9840      0.00000
    157       4.1626      0.00000
    158       4.2363      0.00000
    159       4.2388      0.00000
    160       4.2653      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3924      1.00000
      2     -21.8334      1.00000
      3     -21.6405      1.00000
      4     -21.6144      1.00000
      5     -21.2769      1.00000
      6     -21.2396      1.00000
      7     -21.0617      1.00000
      8     -20.1712      1.00000
      9     -20.1346      1.00000
     10     -19.6102      1.00000
     11     -19.5986      1.00000
     12     -19.4239      1.00000
     13     -19.0952      1.00000
     14     -19.0591      1.00000
     15     -19.0559      1.00000
     16     -19.0453      1.00000
     17     -18.3691      1.00000
     18     -18.3477      1.00000
     19     -18.0313      1.00000
     20     -17.0854      1.00000
     21     -17.0438      1.00000
     22     -16.9704      1.00000
     23     -16.9118      1.00000
     24     -16.4832      1.00000
     25     -16.4333      1.00000
     26     -15.6656      1.00000
     27     -15.5801      1.00000
     28     -15.3068      1.00000
     29     -15.2345      1.00000
     30     -15.1752      1.00000
     31     -15.0881      1.00000
     32     -15.0508      1.00000
     33     -14.7242      1.00000
     34     -14.6873      1.00000
     35     -13.7499      1.00000
     36     -13.7226      1.00000
     37     -13.2299      1.00000
     38     -12.6305      1.00000
     39     -12.5456      1.00000
     40     -12.4591      1.00000
     41     -12.4352      1.00000
     42     -12.1414      1.00000
     43     -12.1267      1.00000
     44     -11.7318      1.00000
     45     -11.6984      1.00000
     46     -11.2721      1.00000
     47     -11.1742      1.00000
     48     -11.0296      1.00000
     49     -10.9988      1.00000
     50     -10.9761      1.00000
     51     -10.8923      1.00000
     52     -10.6316      1.00000
     53     -10.1407      1.00000
     54     -10.1266      1.00000
     55     -10.0828      1.00000
     56      -9.9990      1.00000
     57      -9.7604      1.00000
     58      -9.6666      1.00000
     59      -9.6625      1.00000
     60      -9.6174      1.00000
     61      -9.5838      1.00000
     62      -9.5446      1.00000
     63      -9.3200      1.00000
     64      -9.2899      1.00000
     65      -9.2789      1.00000
     66      -9.2487      1.00000
     67      -9.1395      1.00000
     68      -9.1230      1.00000
     69      -9.0975      1.00000
     70      -8.9467      1.00000
     71      -8.8876      1.00000
     72      -8.6506      1.00000
     73      -8.5982      1.00000
     74      -8.2483      1.00000
     75      -8.0842      1.00000
     76      -7.9117      1.00000
     77      -7.8861      1.00000
     78      -7.8003      1.00000
     79      -7.7276      1.00000
     80      -7.7073      1.00000
     81      -7.5526      1.00000
     82      -7.3391      1.00000
     83      -7.2836      1.00000
     84      -7.2049      1.00000
     85      -7.1225      1.00000
     86      -7.0443      1.00000
     87      -7.0416      1.00000
     88      -6.7182      1.00000
     89      -6.6845      1.00000
     90      -6.6434      1.00000
     91      -6.5931      1.00000
     92      -6.1590      1.00000
     93      -6.0777      1.00000
     94      -6.0058      1.00000
     95      -5.9806      1.00000
     96      -5.8088      1.00000
     97      -4.9945      1.00000
     98      -4.8220      1.00000
     99      -4.7443      1.00000
    100      -4.6971      1.00000
    101      -4.4719      1.00000
    102      -4.2070      1.00000
    103      -4.1477      1.00000
    104      -4.1209      1.00000
    105      -3.7257      1.00000
    106      -3.4818      1.00000
    107      -1.8892      0.00000
    108      -1.8428      0.00000
    109      -1.5139      0.00000
    110      -1.4298      0.00000
    111      -1.2995      0.00000
    112      -1.2620      0.00000
    113      -0.6991      0.00000
    114      -0.3714      0.00000
    115      -0.2846      0.00000
    116       0.0443      0.00000
    117       0.5303      0.00000
    118       0.6586      0.00000
    119       0.7503      0.00000
    120       1.0282      0.00000
    121       1.1262      0.00000
    122       1.1342      0.00000
    123       1.2284      0.00000
    124       1.3566      0.00000
    125       1.4933      0.00000
    126       1.5426      0.00000
    127       1.6906      0.00000
    128       1.7997      0.00000
    129       1.8326      0.00000
    130       1.8616      0.00000
    131       2.0687      0.00000
    132       2.1492      0.00000
    133       2.2112      0.00000
    134       2.2666      0.00000
    135       2.4781      0.00000
    136       2.5457      0.00000
    137       2.6337      0.00000
    138       2.7457      0.00000
    139       2.7750      0.00000
    140       2.8388      0.00000
    141       2.8520      0.00000
    142       2.8688      0.00000
    143       2.9280      0.00000
    144       3.0289      0.00000
    145       3.1230      0.00000
    146       3.2688      0.00000
    147       3.3779      0.00000
    148       3.4221      0.00000
    149       3.4400      0.00000
    150       3.5893      0.00000
    151       3.6261      0.00000
    152       3.6488      0.00000
    153       3.6942      0.00000
    154       3.8725      0.00000
    155       3.9204      0.00000
    156       3.9804      0.00000
    157       4.0309      0.00000
    158       4.2065      0.00000
    159       4.2276      0.00000
    160       4.2369      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2862      1.00000
      2     -22.0815      1.00000
      3     -21.7186      1.00000
      4     -21.6888      1.00000
      5     -20.9819      1.00000
      6     -20.9434      1.00000
      7     -20.6150      1.00000
      8     -20.5801      1.00000
      9     -20.5741      1.00000
     10     -20.0385      1.00000
     11     -19.5053      1.00000
     12     -19.4924      1.00000
     13     -19.3104      1.00000
     14     -19.3015      1.00000
     15     -18.4549      1.00000
     16     -18.4183      1.00000
     17     -17.9346      1.00000
     18     -17.9042      1.00000
     19     -17.7717      1.00000
     20     -17.7351      1.00000
     21     -17.4539      1.00000
     22     -17.4130      1.00000
     23     -17.3630      1.00000
     24     -16.4635      1.00000
     25     -16.4490      1.00000
     26     -15.9480      1.00000
     27     -15.4511      1.00000
     28     -15.3893      1.00000
     29     -15.1260      1.00000
     30     -15.0796      1.00000
     31     -14.8928      1.00000
     32     -14.8650      1.00000
     33     -14.2893      1.00000
     34     -14.2371      1.00000
     35     -13.4435      1.00000
     36     -13.3765      1.00000
     37     -13.2016      1.00000
     38     -13.1777      1.00000
     39     -12.9762      1.00000
     40     -12.9611      1.00000
     41     -12.6402      1.00000
     42     -12.6200      1.00000
     43     -12.1911      1.00000
     44     -11.5968      1.00000
     45     -11.5516      1.00000
     46     -11.3447      1.00000
     47     -11.2863      1.00000
     48     -11.1339      1.00000
     49     -10.7100      1.00000
     50     -10.6221      1.00000
     51     -10.5526      1.00000
     52     -10.3346      1.00000
     53     -10.3077      1.00000
     54     -10.1798      1.00000
     55     -10.1476      1.00000
     56     -10.0813      1.00000
     57      -9.8007      1.00000
     58      -9.7601      1.00000
     59      -9.7441      1.00000
     60      -9.7079      1.00000
     61      -9.6804      1.00000
     62      -9.6634      1.00000
     63      -9.3592      1.00000
     64      -9.3363      1.00000
     65      -9.3265      1.00000
     66      -9.0577      1.00000
     67      -8.9938      1.00000
     68      -8.9277      1.00000
     69      -8.8013      1.00000
     70      -8.6100      1.00000
     71      -8.5667      1.00000
     72      -8.4014      1.00000
     73      -8.3754      1.00000
     74      -8.3628      1.00000
     75      -8.3194      1.00000
     76      -8.3041      1.00000
     77      -8.2641      1.00000
     78      -8.2425      1.00000
     79      -7.9197      1.00000
     80      -7.6603      1.00000
     81      -7.5452      1.00000
     82      -7.3550      1.00000
     83      -7.3133      1.00000
     84      -7.2121      1.00000
     85      -7.0998      1.00000
     86      -7.0304      1.00000
     87      -6.9412      1.00000
     88      -6.8389      1.00000
     89      -6.6431      1.00000
     90      -6.5487      1.00000
     91      -6.2904      1.00000
     92      -6.0612      1.00000
     93      -5.9616      1.00000
     94      -5.6912      1.00000
     95      -5.5864      1.00000
     96      -5.4816      1.00000
     97      -5.3527      1.00000
     98      -5.2873      1.00000
     99      -5.2492      1.00000
    100      -5.1523      1.00000
    101      -4.5041      1.00000
    102      -4.2080      1.00000
    103      -4.0441      1.00000
    104      -3.9723      1.00000
    105      -3.6896      1.00000
    106      -3.4900      1.00000
    107      -1.9776      0.00000
    108      -1.9244      0.00000
    109      -1.3162      0.00000
    110      -1.1287      0.00000
    111      -1.0458      0.00000
    112      -0.7906      0.00000
    113      -0.7248      0.00000
    114      -0.6297      0.00000
    115      -0.5854      0.00000
    116      -0.0987      0.00000
    117       0.2148      0.00000
    118       0.3469      0.00000
    119       0.6701      0.00000
    120       0.8621      0.00000
    121       1.0970      0.00000
    122       1.1902      0.00000
    123       1.2996      0.00000
    124       1.3913      0.00000
    125       1.5216      0.00000
    126       1.5605      0.00000
    127       1.6426      0.00000
    128       1.7845      0.00000
    129       1.8417      0.00000
    130       2.0201      0.00000
    131       2.1093      0.00000
    132       2.3214      0.00000
    133       2.3581      0.00000
    134       2.3602      0.00000
    135       2.5032      0.00000
    136       2.6095      0.00000
    137       2.6958      0.00000
    138       2.7534      0.00000
    139       2.8188      0.00000
    140       2.8596      0.00000
    141       3.0177      0.00000
    142       3.0316      0.00000
    143       3.1219      0.00000
    144       3.2293      0.00000
    145       3.3279      0.00000
    146       3.3827      0.00000
    147       3.3992      0.00000
    148       3.5502      0.00000
    149       3.5617      0.00000
    150       3.5639      0.00000
    151       3.6364      0.00000
    152       3.6650      0.00000
    153       3.7520      0.00000
    154       3.7733      0.00000
    155       3.7992      0.00000
    156       3.8609      0.00000
    157       3.8843      0.00000
    158       3.9544      0.00000
    159       4.1708      0.00000
    160       4.1995      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3203      1.00000
      2     -21.9651      1.00000
      3     -21.8980      1.00000
      4     -21.3826      1.00000
      5     -21.3545      1.00000
      6     -20.8443      1.00000
      7     -20.7806      1.00000
      8     -20.6305      1.00000
      9     -20.0783      1.00000
     10     -20.0726      1.00000
     11     -19.7218      1.00000
     12     -19.6984      1.00000
     13     -18.9992      1.00000
     14     -18.9934      1.00000
     15     -18.6343      1.00000
     16     -18.6220      1.00000
     17     -18.4749      1.00000
     18     -17.6920      1.00000
     19     -17.6428      1.00000
     20     -17.6385      1.00000
     21     -17.5980      1.00000
     22     -17.1247      1.00000
     23     -17.1100      1.00000
     24     -16.9206      1.00000
     25     -15.9920      1.00000
     26     -15.9559      1.00000
     27     -15.5712      1.00000
     28     -15.5709      1.00000
     29     -15.3605      1.00000
     30     -14.8402      1.00000
     31     -14.8166      1.00000
     32     -14.5883      1.00000
     33     -14.5498      1.00000
     34     -14.1942      1.00000
     35     -14.1815      1.00000
     36     -13.0964      1.00000
     37     -13.0889      1.00000
     38     -13.0353      1.00000
     39     -13.0312      1.00000
     40     -12.7071      1.00000
     41     -12.7032      1.00000
     42     -12.3391      1.00000
     43     -12.3089      1.00000
     44     -11.6707      1.00000
     45     -11.6572      1.00000
     46     -11.6270      1.00000
     47     -10.9684      1.00000
     48     -10.9373      1.00000
     49     -10.6237      1.00000
     50     -10.6037      1.00000
     51     -10.5404      1.00000
     52     -10.4962      1.00000
     53     -10.4958      1.00000
     54     -10.3790      1.00000
     55     -10.3466      1.00000
     56     -10.1018      1.00000
     57      -9.9074      1.00000
     58      -9.5898      1.00000
     59      -9.5406      1.00000
     60      -9.4588      1.00000
     61      -9.4258      1.00000
     62      -9.4095      1.00000
     63      -9.3546      1.00000
     64      -9.3500      1.00000
     65      -9.2854      1.00000
     66      -9.2169      1.00000
     67      -9.1911      1.00000
     68      -9.1848      1.00000
     69      -8.8763      1.00000
     70      -8.8698      1.00000
     71      -8.8254      1.00000
     72      -8.6075      1.00000
     73      -8.4923      1.00000
     74      -8.2281      1.00000
     75      -8.1945      1.00000
     76      -8.0217      1.00000
     77      -7.9511      1.00000
     78      -7.8090      1.00000
     79      -7.7982      1.00000
     80      -7.7187      1.00000
     81      -7.6969      1.00000
     82      -7.6246      1.00000
     83      -7.4516      1.00000
     84      -7.3163      1.00000
     85      -7.2547      1.00000
     86      -6.9038      1.00000
     87      -6.8969      1.00000
     88      -6.5921      1.00000
     89      -6.5543      1.00000
     90      -6.3270      1.00000
     91      -6.2968      1.00000
     92      -6.2278      1.00000
     93      -6.2065      1.00000
     94      -6.0506      1.00000
     95      -5.5792      1.00000
     96      -5.5204      1.00000
     97      -5.3809      1.00000
     98      -5.2551      1.00000
     99      -4.9245      1.00000
    100      -4.7367      1.00000
    101      -4.6749      1.00000
    102      -4.3849      1.00000
    103      -4.2041      1.00000
    104      -3.8547      1.00000
    105      -3.5053      1.00000
    106      -3.5032      1.00000
    107      -2.3251      0.00000
    108      -1.4527      0.00000
    109      -1.4415      0.00000
    110      -1.2593      0.00000
    111      -1.0817      0.00000
    112      -0.9154      0.00000
    113      -0.8295      0.00000
    114      -0.7672      0.00000
    115      -0.1362      0.00000
    116       0.0635      0.00000
    117       0.2086      0.00000
    118       0.4032      0.00000
    119       0.6261      0.00000
    120       0.8218      0.00000
    121       0.9242      0.00000
    122       1.0403      0.00000
    123       1.2087      0.00000
    124       1.4219      0.00000
    125       1.5112      0.00000
    126       1.7673      0.00000
    127       1.7842      0.00000
    128       1.8530      0.00000
    129       1.9272      0.00000
    130       2.0190      0.00000
    131       2.1406      0.00000
    132       2.1729      0.00000
    133       2.3740      0.00000
    134       2.4578      0.00000
    135       2.5204      0.00000
    136       2.5757      0.00000
    137       2.6155      0.00000
    138       2.6653      0.00000
    139       2.7479      0.00000
    140       2.7925      0.00000
    141       2.9161      0.00000
    142       3.0445      0.00000
    143       3.1557      0.00000
    144       3.2030      0.00000
    145       3.2379      0.00000
    146       3.2987      0.00000
    147       3.3040      0.00000
    148       3.4324      0.00000
    149       3.4555      0.00000
    150       3.6718      0.00000
    151       3.6751      0.00000
    152       3.7252      0.00000
    153       3.8406      0.00000
    154       3.8777      0.00000
    155       3.9083      0.00000
    156       3.9775      0.00000
    157       4.0009      0.00000
    158       4.0148      0.00000
    159       4.0512      0.00000
    160       4.0556      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2123      1.00000
      2     -22.1216      1.00000
      3     -21.9602      1.00000
      4     -21.4071      1.00000
      5     -21.0532      1.00000
      6     -21.0182      1.00000
      7     -20.5039      1.00000
      8     -20.4652      1.00000
      9     -20.3004      1.00000
     10     -20.2815      1.00000
     11     -19.9595      1.00000
     12     -19.8942      1.00000
     13     -18.8833      1.00000
     14     -18.8148      1.00000
     15     -18.3619      1.00000
     16     -18.3138      1.00000
     17     -18.1620      1.00000
     18     -18.1345      1.00000
     19     -17.8378      1.00000
     20     -17.7944      1.00000
     21     -17.2744      1.00000
     22     -17.2139      1.00000
     23     -17.1916      1.00000
     24     -17.1309      1.00000
     25     -16.0851      1.00000
     26     -15.9290      1.00000
     27     -15.8519      1.00000
     28     -15.8264      1.00000
     29     -15.2623      1.00000
     30     -14.5744      1.00000
     31     -14.5194      1.00000
     32     -14.3109      1.00000
     33     -13.9673      1.00000
     34     -13.9362      1.00000
     35     -13.8386      1.00000
     36     -13.7632      1.00000
     37     -13.6340      1.00000
     38     -13.5835      1.00000
     39     -13.3655      1.00000
     40     -12.6175      1.00000
     41     -12.2014      1.00000
     42     -12.1452      1.00000
     43     -12.1036      1.00000
     44     -12.0216      1.00000
     45     -11.6652      1.00000
     46     -11.6458      1.00000
     47     -11.1644      1.00000
     48     -11.1027      1.00000
     49     -10.8122      1.00000
     50     -10.7420      1.00000
     51     -10.5277      1.00000
     52     -10.2254      1.00000
     53     -10.1922      1.00000
     54     -10.1687      1.00000
     55     -10.0156      1.00000
     56     -10.0035      1.00000
     57      -9.9826      1.00000
     58      -9.8184      1.00000
     59      -9.8007      1.00000
     60      -9.7846      1.00000
     61      -9.7026      1.00000
     62      -9.4666      1.00000
     63      -9.4196      1.00000
     64      -9.0869      1.00000
     65      -9.0665      1.00000
     66      -9.0316      1.00000
     67      -8.9913      1.00000
     68      -8.8815      1.00000
     69      -8.7431      1.00000
     70      -8.6761      1.00000
     71      -8.5867      1.00000
     72      -8.5677      1.00000
     73      -8.5291      1.00000
     74      -8.4933      1.00000
     75      -8.4263      1.00000
     76      -8.2602      1.00000
     77      -8.1360      1.00000
     78      -8.0508      1.00000
     79      -7.8806      1.00000
     80      -7.8662      1.00000
     81      -7.6257      1.00000
     82      -7.5742      1.00000
     83      -7.5134      1.00000
     84      -7.2660      1.00000
     85      -6.9919      1.00000
     86      -6.8946      1.00000
     87      -6.8403      1.00000
     88      -6.5884      1.00000
     89      -6.4894      1.00000
     90      -6.4636      1.00000
     91      -6.3955      1.00000
     92      -6.0033      1.00000
     93      -5.9094      1.00000
     94      -5.8140      1.00000
     95      -5.7315      1.00000
     96      -5.4540      1.00000
     97      -5.3377      1.00000
     98      -5.2558      1.00000
     99      -5.2518      1.00000
    100      -5.1369      1.00000
    101      -4.6816      1.00000
    102      -4.4147      1.00000
    103      -4.2098      1.00000
    104      -3.8263      1.00000
    105      -3.5237      1.00000
    106      -3.2560      1.00000
    107      -2.5623      0.00000
    108      -1.4422      0.00000
    109      -1.3167      0.00000
    110      -1.2206      0.00000
    111      -1.1633      0.00000
    112      -0.7085      0.00000
    113      -0.5095      0.00000
    114      -0.4150      0.00000
    115      -0.3459      0.00000
    116      -0.1326      0.00000
    117       0.0084      0.00000
    118       0.2025      0.00000
    119       0.5284      0.00000
    120       0.6027      0.00000
    121       0.7745      0.00000
    122       0.8794      0.00000
    123       1.1074      0.00000
    124       1.4561      0.00000
    125       1.6071      0.00000
    126       1.8022      0.00000
    127       1.8944      0.00000
    128       2.0668      0.00000
    129       2.0852      0.00000
    130       2.1425      0.00000
    131       2.1756      0.00000
    132       2.2638      0.00000
    133       2.3234      0.00000
    134       2.4596      0.00000
    135       2.5631      0.00000
    136       2.6259      0.00000
    137       2.8219      0.00000
    138       2.8750      0.00000
    139       2.8825      0.00000
    140       2.9824      0.00000
    141       3.0006      0.00000
    142       3.1098      0.00000
    143       3.1757      0.00000
    144       3.2138      0.00000
    145       3.2564      0.00000
    146       3.2595      0.00000
    147       3.2748      0.00000
    148       3.3263      0.00000
    149       3.3823      0.00000
    150       3.4083      0.00000
    151       3.5054      0.00000
    152       3.5921      0.00000
    153       3.6989      0.00000
    154       3.7107      0.00000
    155       3.7358      0.00000
    156       3.8732      0.00000
    157       3.9066      0.00000
    158       3.9729      0.00000
    159       4.0801      0.00000
    160       4.1773      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3199      1.00000
      2     -21.9670      1.00000
      3     -21.8961      1.00000
      4     -21.3881      1.00000
      5     -21.3528      1.00000
      6     -20.8419      1.00000
      7     -20.7762      1.00000
      8     -20.6272      1.00000
      9     -20.0945      1.00000
     10     -20.0664      1.00000
     11     -19.7220      1.00000
     12     -19.6925      1.00000
     13     -19.0150      1.00000
     14     -18.9826      1.00000
     15     -18.6596      1.00000
     16     -18.6246      1.00000
     17     -18.4607      1.00000
     18     -17.6690      1.00000
     19     -17.6383      1.00000
     20     -17.6066      1.00000
     21     -17.5756      1.00000
     22     -17.1508      1.00000
     23     -17.0975      1.00000
     24     -16.9929      1.00000
     25     -16.0394      1.00000
     26     -15.8969      1.00000
     27     -15.6263      1.00000
     28     -15.5727      1.00000
     29     -15.2479      1.00000
     30     -14.8992      1.00000
     31     -14.8400      1.00000
     32     -14.6007      1.00000
     33     -14.5113      1.00000
     34     -14.1623      1.00000
     35     -14.1478      1.00000
     36     -13.1916      1.00000
     37     -13.1114      1.00000
     38     -13.0513      1.00000
     39     -12.9925      1.00000
     40     -12.7357      1.00000
     41     -12.6926      1.00000
     42     -12.3625      1.00000
     43     -12.3030      1.00000
     44     -11.6408      1.00000
     45     -11.5939      1.00000
     46     -11.5470      1.00000
     47     -10.9409      1.00000
     48     -10.9128      1.00000
     49     -10.6824      1.00000
     50     -10.6101      1.00000
     51     -10.5776      1.00000
     52     -10.5231      1.00000
     53     -10.4772      1.00000
     54     -10.4742      1.00000
     55     -10.3690      1.00000
     56     -10.1063      1.00000
     57      -9.9012      1.00000
     58      -9.6230      1.00000
     59      -9.5652      1.00000
     60      -9.4647      1.00000
     61      -9.4234      1.00000
     62      -9.4109      1.00000
     63      -9.4010      1.00000
     64      -9.3756      1.00000
     65      -9.2726      1.00000
     66      -9.1703      1.00000
     67      -9.1095      1.00000
     68      -9.0817      1.00000
     69      -8.8835      1.00000
     70      -8.8413      1.00000
     71      -8.8062      1.00000
     72      -8.5946      1.00000
     73      -8.5262      1.00000
     74      -8.1957      1.00000
     75      -8.1484      1.00000
     76      -8.0864      1.00000
     77      -7.9065      1.00000
     78      -7.8391      1.00000
     79      -7.8312      1.00000
     80      -7.7606      1.00000
     81      -7.6628      1.00000
     82      -7.6095      1.00000
     83      -7.5235      1.00000
     84      -7.3631      1.00000
     85      -7.1652      1.00000
     86      -6.9591      1.00000
     87      -6.8451      1.00000
     88      -6.6171      1.00000
     89      -6.5388      1.00000
     90      -6.4678      1.00000
     91      -6.3212      1.00000
     92      -6.2658      1.00000
     93      -6.1494      1.00000
     94      -5.9963      1.00000
     95      -5.5541      1.00000
     96      -5.4189      1.00000
     97      -5.3160      1.00000
     98      -5.1891      1.00000
     99      -5.0736      1.00000
    100      -4.7534      1.00000
    101      -4.6516      1.00000
    102      -4.4180      1.00000
    103      -4.1990      1.00000
    104      -3.8405      1.00000
    105      -3.6509      1.00000
    106      -3.4234      1.00000
    107      -2.2662      0.00000
    108      -1.4898      0.00000
    109      -1.3024      0.00000
    110      -1.2308      0.00000
    111      -1.0531      0.00000
    112      -1.0083      0.00000
    113      -0.8969      0.00000
    114      -0.8137      0.00000
    115      -0.2538      0.00000
    116       0.2190      0.00000
    117       0.2285      0.00000
    118       0.3576      0.00000
    119       0.6650      0.00000
    120       0.8649      0.00000
    121       0.9440      0.00000
    122       1.0211      0.00000
    123       1.1445      0.00000
    124       1.4829      0.00000
    125       1.5199      0.00000
    126       1.6773      0.00000
    127       1.7609      0.00000
    128       1.8257      0.00000
    129       1.9290      0.00000
    130       1.9583      0.00000
    131       2.1638      0.00000
    132       2.2197      0.00000
    133       2.3778      0.00000
    134       2.4568      0.00000
    135       2.5295      0.00000
    136       2.5916      0.00000
    137       2.6305      0.00000
    138       2.6716      0.00000
    139       2.7329      0.00000
    140       2.8200      0.00000
    141       3.0066      0.00000
    142       3.0509      0.00000
    143       3.1625      0.00000
    144       3.2236      0.00000
    145       3.2361      0.00000
    146       3.2763      0.00000
    147       3.3197      0.00000
    148       3.4168      0.00000
    149       3.4824      0.00000
    150       3.6633      0.00000
    151       3.6953      0.00000
    152       3.7001      0.00000
    153       3.7986      0.00000
    154       3.8656      0.00000
    155       3.8966      0.00000
    156       3.9507      0.00000
    157       3.9905      0.00000
    158       4.0274      0.00000
    159       4.0436      0.00000
    160       4.0770      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3922      1.00000
      2     -21.8327      1.00000
      3     -21.6453      1.00000
      4     -21.6111      1.00000
      5     -21.2824      1.00000
      6     -21.2360      1.00000
      7     -21.0583      1.00000
      8     -20.1732      1.00000
      9     -20.1279      1.00000
     10     -19.6253      1.00000
     11     -19.5994      1.00000
     12     -19.4138      1.00000
     13     -19.0974      1.00000
     14     -19.0620      1.00000
     15     -19.0585      1.00000
     16     -19.0407      1.00000
     17     -18.3756      1.00000
     18     -18.3558      1.00000
     19     -18.0058      1.00000
     20     -17.0619      1.00000
     21     -17.0095      1.00000
     22     -16.9623      1.00000
     23     -16.9514      1.00000
     24     -16.5057      1.00000
     25     -16.4933      1.00000
     26     -15.5941      1.00000
     27     -15.5936      1.00000
     28     -15.2215      1.00000
     29     -15.2167      1.00000
     30     -15.2019      1.00000
     31     -15.1369      1.00000
     32     -15.1114      1.00000
     33     -14.6934      1.00000
     34     -14.6926      1.00000
     35     -13.7155      1.00000
     36     -13.7153      1.00000
     37     -13.2602      1.00000
     38     -12.6573      1.00000
     39     -12.6176      1.00000
     40     -12.4743      1.00000
     41     -12.4684      1.00000
     42     -12.0646      1.00000
     43     -12.0602      1.00000
     44     -11.7046      1.00000
     45     -11.6662      1.00000
     46     -11.2722      1.00000
     47     -11.2538      1.00000
     48     -11.0277      1.00000
     49     -11.0164      1.00000
     50     -10.9003      1.00000
     51     -10.8716      1.00000
     52     -10.6369      1.00000
     53     -10.2158      1.00000
     54     -10.1994      1.00000
     55     -10.1252      1.00000
     56      -9.9963      1.00000
     57      -9.6769      1.00000
     58      -9.6765      1.00000
     59      -9.6642      1.00000
     60      -9.5932      1.00000
     61      -9.5669      1.00000
     62      -9.5576      1.00000
     63      -9.3226      1.00000
     64      -9.3121      1.00000
     65      -9.2891      1.00000
     66      -9.2284      1.00000
     67      -9.1319      1.00000
     68      -9.1306      1.00000
     69      -9.1238      1.00000
     70      -8.9365      1.00000
     71      -8.8556      1.00000
     72      -8.5719      1.00000
     73      -8.5542      1.00000
     74      -8.2788      1.00000
     75      -8.1553      1.00000
     76      -7.8433      1.00000
     77      -7.8340      1.00000
     78      -7.7967      1.00000
     79      -7.7743      1.00000
     80      -7.7668      1.00000
     81      -7.4402      1.00000
     82      -7.3784      1.00000
     83      -7.3730      1.00000
     84      -7.2850      1.00000
     85      -7.1860      1.00000
     86      -6.9726      1.00000
     87      -6.9622      1.00000
     88      -6.7367      1.00000
     89      -6.7108      1.00000
     90      -6.6220      1.00000
     91      -6.5868      1.00000
     92      -6.2047      1.00000
     93      -6.0683      1.00000
     94      -6.0676      1.00000
     95      -5.9588      1.00000
     96      -5.7071      1.00000
     97      -4.9876      1.00000
     98      -4.8594      1.00000
     99      -4.6803      1.00000
    100      -4.6353      1.00000
    101      -4.4872      1.00000
    102      -4.3624      1.00000
    103      -4.1412      1.00000
    104      -4.0768      1.00000
    105      -3.7572      1.00000
    106      -3.4625      1.00000
    107      -1.9151      0.00000
    108      -1.7322      0.00000
    109      -1.4900      0.00000
    110      -1.3756      0.00000
    111      -1.3638      0.00000
    112      -1.3154      0.00000
    113      -0.7306      0.00000
    114      -0.4685      0.00000
    115      -0.2202      0.00000
    116       0.0599      0.00000
    117       0.5605      0.00000
    118       0.7095      0.00000
    119       0.7838      0.00000
    120       0.9960      0.00000
    121       1.0675      0.00000
    122       1.1442      0.00000
    123       1.2368      0.00000
    124       1.3032      0.00000
    125       1.4017      0.00000
    126       1.5499      0.00000
    127       1.7493      0.00000
    128       1.8308      0.00000
    129       1.8842      0.00000
    130       1.9018      0.00000
    131       2.0278      0.00000
    132       2.1863      0.00000
    133       2.1906      0.00000
    134       2.2402      0.00000
    135       2.4562      0.00000
    136       2.5814      0.00000
    137       2.6299      0.00000
    138       2.7021      0.00000
    139       2.7713      0.00000
    140       2.8141      0.00000
    141       2.8245      0.00000
    142       2.8650      0.00000
    143       2.9332      0.00000
    144       3.0302      0.00000
    145       3.2669      0.00000
    146       3.3372      0.00000
    147       3.3919      0.00000
    148       3.4041      0.00000
    149       3.4087      0.00000
    150       3.5622      0.00000
    151       3.6391      0.00000
    152       3.6466      0.00000
    153       3.7077      0.00000
    154       3.8666      0.00000
    155       3.8847      0.00000
    156       3.9301      0.00000
    157       4.0662      0.00000
    158       4.1675      0.00000
    159       4.2201      0.00000
    160       4.2612      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1229      1.00000
      3     -21.9607      1.00000
      4     -21.4094      1.00000
      5     -21.0483      1.00000
      6     -21.0210      1.00000
      7     -20.4991      1.00000
      8     -20.4701      1.00000
      9     -20.2864      1.00000
     10     -20.2849      1.00000
     11     -19.9632      1.00000
     12     -19.9016      1.00000
     13     -18.8929      1.00000
     14     -18.8271      1.00000
     15     -18.3317      1.00000
     16     -18.3169      1.00000
     17     -18.1550      1.00000
     18     -18.1478      1.00000
     19     -17.8108      1.00000
     20     -17.7975      1.00000
     21     -17.2785      1.00000
     22     -17.2588      1.00000
     23     -17.1555      1.00000
     24     -17.1178      1.00000
     25     -16.1765      1.00000
     26     -15.8853      1.00000
     27     -15.8609      1.00000
     28     -15.8529      1.00000
     29     -15.1832      1.00000
     30     -14.5505      1.00000
     31     -14.5331      1.00000
     32     -14.2260      1.00000
     33     -14.0026      1.00000
     34     -13.9814      1.00000
     35     -13.8598      1.00000
     36     -13.8378      1.00000
     37     -13.5832      1.00000
     38     -13.5630      1.00000
     39     -13.3870      1.00000
     40     -12.6825      1.00000
     41     -12.1480      1.00000
     42     -12.1264      1.00000
     43     -12.0440      1.00000
     44     -11.9993      1.00000
     45     -11.6942      1.00000
     46     -11.6908      1.00000
     47     -11.1420      1.00000
     48     -11.1313      1.00000
     49     -10.7702      1.00000
     50     -10.7168      1.00000
     51     -10.5327      1.00000
     52     -10.2154      1.00000
     53     -10.2104      1.00000
     54     -10.1731      1.00000
     55     -10.0439      1.00000
     56     -10.0155      1.00000
     57     -10.0015      1.00000
     58      -9.8194      1.00000
     59      -9.8089      1.00000
     60      -9.7914      1.00000
     61      -9.7856      1.00000
     62      -9.4416      1.00000
     63      -9.4239      1.00000
     64      -9.1096      1.00000
     65      -9.0756      1.00000
     66      -9.0331      1.00000
     67      -8.9225      1.00000
     68      -8.8778      1.00000
     69      -8.7112      1.00000
     70      -8.7025      1.00000
     71      -8.5336      1.00000
     72      -8.5230      1.00000
     73      -8.4808      1.00000
     74      -8.4382      1.00000
     75      -8.4380      1.00000
     76      -8.3062      1.00000
     77      -8.0906      1.00000
     78      -8.0878      1.00000
     79      -8.0010      1.00000
     80      -7.8454      1.00000
     81      -7.6163      1.00000
     82      -7.4660      1.00000
     83      -7.4654      1.00000
     84      -7.3084      1.00000
     85      -7.0682      1.00000
     86      -6.9834      1.00000
     87      -6.9646      1.00000
     88      -6.5309      1.00000
     89      -6.4717      1.00000
     90      -6.4420      1.00000
     91      -6.4287      1.00000
     92      -5.9166      1.00000
     93      -5.8858      1.00000
     94      -5.7915      1.00000
     95      -5.7836      1.00000
     96      -5.3652      1.00000
     97      -5.3551      1.00000
     98      -5.2285      1.00000
     99      -5.2222      1.00000
    100      -5.1660      1.00000
    101      -4.7502      1.00000
    102      -4.4412      1.00000
    103      -4.1960      1.00000
    104      -3.8143      1.00000
    105      -3.5703      1.00000
    106      -3.2655      1.00000
    107      -2.5146      0.00000
    108      -1.4335      0.00000
    109      -1.3442      0.00000
    110      -1.1584      0.00000
    111      -1.1483      0.00000
    112      -0.6589      0.00000
    113      -0.5854      0.00000
    114      -0.4262      0.00000
    115      -0.3434      0.00000
    116      -0.1072      0.00000
    117      -0.1024      0.00000
    118       0.1146      0.00000
    119       0.6192      0.00000
    120       0.6477      0.00000
    121       0.8294      0.00000
    122       0.9637      0.00000
    123       0.9810      0.00000
    124       1.4684      0.00000
    125       1.6516      0.00000
    126       1.7157      0.00000
    127       1.8137      0.00000
    128       2.0702      0.00000
    129       2.1446      0.00000
    130       2.1748      0.00000
    131       2.2272      0.00000
    132       2.2627      0.00000
    133       2.3390      0.00000
    134       2.4722      0.00000
    135       2.5054      0.00000
    136       2.6318      0.00000
    137       2.8262      0.00000
    138       2.8323      0.00000
    139       2.9218      0.00000
    140       2.9790      0.00000
    141       3.0065      0.00000
    142       3.1081      0.00000
    143       3.1831      0.00000
    144       3.2174      0.00000
    145       3.2176      0.00000
    146       3.2596      0.00000
    147       3.2874      0.00000
    148       3.3337      0.00000
    149       3.3727      0.00000
    150       3.5057      0.00000
    151       3.5323      0.00000
    152       3.6180      0.00000
    153       3.6250      0.00000
    154       3.6972      0.00000
    155       3.7142      0.00000
    156       3.8672      0.00000
    157       3.9245      0.00000
    158       3.9933      0.00000
    159       4.0291      0.00000
    160       4.1349      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2854      1.00000
      2     -22.0815      1.00000
      3     -21.7242      1.00000
      4     -21.6858      1.00000
      5     -20.9857      1.00000
      6     -20.9388      1.00000
      7     -20.6140      1.00000
      8     -20.5798      1.00000
      9     -20.5688      1.00000
     10     -20.0319      1.00000
     11     -19.5216      1.00000
     12     -19.4918      1.00000
     13     -19.3206      1.00000
     14     -19.3070      1.00000
     15     -18.4474      1.00000
     16     -18.4048      1.00000
     17     -17.9374      1.00000
     18     -17.9168      1.00000
     19     -17.7599      1.00000
     20     -17.7154      1.00000
     21     -17.4537      1.00000
     22     -17.4351      1.00000
     23     -17.3081      1.00000
     24     -16.4997      1.00000
     25     -16.4888      1.00000
     26     -16.0182      1.00000
     27     -15.4032      1.00000
     28     -15.4022      1.00000
     29     -15.0905      1.00000
     30     -15.0879      1.00000
     31     -14.8078      1.00000
     32     -14.7949      1.00000
     33     -14.3293      1.00000
     34     -14.2890      1.00000
     35     -13.4761      1.00000
     36     -13.4356      1.00000
     37     -13.1605      1.00000
     38     -13.1595      1.00000
     39     -13.0152      1.00000
     40     -13.0069      1.00000
     41     -12.5869      1.00000
     42     -12.5852      1.00000
     43     -12.2243      1.00000
     44     -11.5595      1.00000
     45     -11.5189      1.00000
     46     -11.2903      1.00000
     47     -11.2600      1.00000
     48     -11.1735      1.00000
     49     -10.7065      1.00000
     50     -10.6826      1.00000
     51     -10.5491      1.00000
     52     -10.3316      1.00000
     53     -10.3244      1.00000
     54     -10.1779      1.00000
     55     -10.1311      1.00000
     56     -10.1170      1.00000
     57      -9.8202      1.00000
     58      -9.7782      1.00000
     59      -9.7708      1.00000
     60      -9.7192      1.00000
     61      -9.7189      1.00000
     62      -9.6537      1.00000
     63      -9.3760      1.00000
     64      -9.3746      1.00000
     65      -9.3042      1.00000
     66      -9.0314      1.00000
     67      -8.9521      1.00000
     68      -8.9459      1.00000
     69      -8.7788      1.00000
     70      -8.5885      1.00000
     71      -8.5680      1.00000
     72      -8.4153      1.00000
     73      -8.3498      1.00000
     74      -8.3069      1.00000
     75      -8.2959      1.00000
     76      -8.2223      1.00000
     77      -8.2108      1.00000
     78      -8.1959      1.00000
     79      -7.9276      1.00000
     80      -7.7344      1.00000
     81      -7.4546      1.00000
     82      -7.4294      1.00000
     83      -7.3330      1.00000
     84      -7.2703      1.00000
     85      -7.1791      1.00000
     86      -7.0882      1.00000
     87      -6.9803      1.00000
     88      -6.9275      1.00000
     89      -6.6366      1.00000
     90      -6.5500      1.00000
     91      -6.1985      1.00000
     92      -5.9845      1.00000
     93      -5.9425      1.00000
     94      -5.6943      1.00000
     95      -5.6683      1.00000
     96      -5.3740      1.00000
     97      -5.2852      1.00000
     98      -5.2710      1.00000
     99      -5.2141      1.00000
    100      -5.2042      1.00000
    101      -4.5104      1.00000
    102      -4.3443      1.00000
    103      -4.0307      1.00000
    104      -3.9162      1.00000
    105      -3.7965      1.00000
    106      -3.4446      1.00000
    107      -1.9912      0.00000
    108      -1.8181      0.00000
    109      -1.2608      0.00000
    110      -1.2016      0.00000
    111      -1.0173      0.00000
    112      -0.7701      0.00000
    113      -0.7059      0.00000
    114      -0.6665      0.00000
    115      -0.6364      0.00000
    116      -0.1085      0.00000
    117       0.1845      0.00000
    118       0.2173      0.00000
    119       0.7429      0.00000
    120       0.9641      0.00000
    121       1.0741      0.00000
    122       1.2514      0.00000
    123       1.2587      0.00000
    124       1.3152      0.00000
    125       1.5757      0.00000
    126       1.6075      0.00000
    127       1.6774      0.00000
    128       1.7680      0.00000
    129       1.9101      0.00000
    130       1.9102      0.00000
    131       2.0810      0.00000
    132       2.2826      0.00000
    133       2.3177      0.00000
    134       2.3865      0.00000
    135       2.4953      0.00000
    136       2.6014      0.00000
    137       2.7603      0.00000
    138       2.8160      0.00000
    139       2.8234      0.00000
    140       2.8468      0.00000
    141       3.0244      0.00000
    142       3.0720      0.00000
    143       3.1104      0.00000
    144       3.1846      0.00000
    145       3.3405      0.00000
    146       3.3855      0.00000
    147       3.4649      0.00000
    148       3.5037      0.00000
    149       3.5642      0.00000
    150       3.5822      0.00000
    151       3.6093      0.00000
    152       3.7053      0.00000
    153       3.7131      0.00000
    154       3.7531      0.00000
    155       3.8090      0.00000
    156       3.8491      0.00000
    157       3.9772      0.00000
    158       4.0524      0.00000
    159       4.1382      0.00000
    160       4.1680      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4291      1.00000
      2     -21.6030      1.00000
      3     -21.4857      1.00000
      4     -21.4764      1.00000
      5     -21.4448      1.00000
      6     -21.4446      1.00000
      7     -21.4333      1.00000
      8     -19.7095      1.00000
      9     -19.6535      1.00000
     10     -19.6369      1.00000
     11     -19.6206      1.00000
     12     -19.6201      1.00000
     13     -19.6145      1.00000
     14     -18.7971      1.00000
     15     -18.7506      1.00000
     16     -18.7447      1.00000
     17     -18.7324      1.00000
     18     -18.7185      1.00000
     19     -18.7170      1.00000
     20     -16.6648      1.00000
     21     -16.6125      1.00000
     22     -16.6023      1.00000
     23     -16.6019      1.00000
     24     -16.5448      1.00000
     25     -16.5187      1.00000
     26     -15.6798      1.00000
     27     -15.6328      1.00000
     28     -15.5723      1.00000
     29     -15.5677      1.00000
     30     -15.5373      1.00000
     31     -15.5358      1.00000
     32     -14.2758      1.00000
     33     -14.2636      1.00000
     34     -14.2340      1.00000
     35     -14.2292      1.00000
     36     -14.2255      1.00000
     37     -14.2241      1.00000
     38     -11.9339      1.00000
     39     -11.9049      1.00000
     40     -11.8970      1.00000
     41     -11.8832      1.00000
     42     -11.8143      1.00000
     43     -11.7986      1.00000
     44     -11.7840      1.00000
     45     -11.7685      1.00000
     46     -11.7435      1.00000
     47     -11.7339      1.00000
     48     -11.7299      1.00000
     49     -11.7116      1.00000
     50     -10.6783      1.00000
     51     -10.4417      1.00000
     52     -10.4353      1.00000
     53     -10.3562      1.00000
     54     -10.3500      1.00000
     55     -10.3345      1.00000
     56     -10.3276      1.00000
     57      -9.9062      1.00000
     58      -9.4500      1.00000
     59      -9.4112      1.00000
     60      -9.3691      1.00000
     61      -9.3631      1.00000
     62      -9.3573      1.00000
     63      -9.1612      1.00000
     64      -9.1295      1.00000
     65      -9.1054      1.00000
     66      -9.1041      1.00000
     67      -9.1027      1.00000
     68      -9.0842      1.00000
     69      -9.0767      1.00000
     70      -9.0731      1.00000
     71      -9.0498      1.00000
     72      -9.0279      1.00000
     73      -9.0266      1.00000
     74      -9.0254      1.00000
     75      -8.1482      1.00000
     76      -7.7303      1.00000
     77      -7.4888      1.00000
     78      -7.4731      1.00000
     79      -7.4711      1.00000
     80      -7.4497      1.00000
     81      -7.4021      1.00000
     82      -7.3906      1.00000
     83      -7.3247      1.00000
     84      -7.2678      1.00000
     85      -7.2655      1.00000
     86      -7.2483      1.00000
     87      -7.1650      1.00000
     88      -7.0478      1.00000
     89      -6.4636      1.00000
     90      -6.4363      1.00000
     91      -6.4185      1.00000
     92      -6.3694      1.00000
     93      -6.3407      1.00000
     94      -6.3188      1.00000
     95      -6.0506      1.00000
     96      -5.8755      1.00000
     97      -4.8175      1.00000
     98      -4.5504      1.00000
     99      -4.5026      1.00000
    100      -4.4600      1.00000
    101      -4.3839      1.00000
    102      -4.3451      1.00000
    103      -4.2819      1.00000
    104      -4.1922      1.00000
    105      -3.7384      1.00000
    106      -3.4726      1.00000
    107      -1.8324      0.00000
    108      -1.7381      0.00000
    109      -1.6844      0.00000
    110      -1.5644      0.00000
    111      -1.5602      0.00000
    112      -1.5523      0.00000
    113      -0.4205      0.00000
    114       0.1026      0.00000
    115       0.2083      0.00000
    116       0.2259      0.00000
    117       0.2713      0.00000
    118       0.2817      0.00000
    119       0.4842      0.00000
    120       0.5203      0.00000
    121       1.2174      0.00000
    122       1.2787      0.00000
    123       1.4844      0.00000
    124       1.7464      0.00000
    125       1.7488      0.00000
    126       1.7503      0.00000
    127       1.7958      0.00000
    128       1.8166      0.00000
    129       1.9426      0.00000
    130       1.9494      0.00000
    131       1.9603      0.00000
    132       1.9999      0.00000
    133       2.0002      0.00000
    134       2.0579      0.00000
    135       2.2062      0.00000
    136       2.3205      0.00000
    137       2.5557      0.00000
    138       2.5566      0.00000
    139       2.5764      0.00000
    140       2.6746      0.00000
    141       2.9174      0.00000
    142       3.0439      0.00000
    143       3.0554      0.00000
    144       3.0727      0.00000
    145       3.0902      0.00000
    146       3.0934      0.00000
    147       3.0952      0.00000
    148       3.2366      0.00000
    149       3.4237      0.00000
    150       3.4694      0.00000
    151       3.8159      0.00000
    152       3.9225      0.00000
    153       3.9256      0.00000
    154       3.9262      0.00000
    155       3.9372      0.00000
    156       3.9840      0.00000
    157       4.1626      0.00000
    158       4.2363      0.00000
    159       4.2388      0.00000
    160       4.2653      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3924      1.00000
      2     -21.8334      1.00000
      3     -21.6405      1.00000
      4     -21.6144      1.00000
      5     -21.2769      1.00000
      6     -21.2396      1.00000
      7     -21.0617      1.00000
      8     -20.1712      1.00000
      9     -20.1346      1.00000
     10     -19.6102      1.00000
     11     -19.5986      1.00000
     12     -19.4239      1.00000
     13     -19.0952      1.00000
     14     -19.0591      1.00000
     15     -19.0559      1.00000
     16     -19.0453      1.00000
     17     -18.3691      1.00000
     18     -18.3477      1.00000
     19     -18.0313      1.00000
     20     -17.0854      1.00000
     21     -17.0438      1.00000
     22     -16.9704      1.00000
     23     -16.9118      1.00000
     24     -16.4832      1.00000
     25     -16.4333      1.00000
     26     -15.6656      1.00000
     27     -15.5801      1.00000
     28     -15.3068      1.00000
     29     -15.2345      1.00000
     30     -15.1752      1.00000
     31     -15.0881      1.00000
     32     -15.0508      1.00000
     33     -14.7242      1.00000
     34     -14.6873      1.00000
     35     -13.7499      1.00000
     36     -13.7226      1.00000
     37     -13.2299      1.00000
     38     -12.6305      1.00000
     39     -12.5456      1.00000
     40     -12.4591      1.00000
     41     -12.4352      1.00000
     42     -12.1414      1.00000
     43     -12.1267      1.00000
     44     -11.7318      1.00000
     45     -11.6984      1.00000
     46     -11.2721      1.00000
     47     -11.1742      1.00000
     48     -11.0296      1.00000
     49     -10.9988      1.00000
     50     -10.9761      1.00000
     51     -10.8923      1.00000
     52     -10.6316      1.00000
     53     -10.1407      1.00000
     54     -10.1266      1.00000
     55     -10.0828      1.00000
     56      -9.9990      1.00000
     57      -9.7604      1.00000
     58      -9.6666      1.00000
     59      -9.6625      1.00000
     60      -9.6174      1.00000
     61      -9.5838      1.00000
     62      -9.5446      1.00000
     63      -9.3200      1.00000
     64      -9.2899      1.00000
     65      -9.2789      1.00000
     66      -9.2487      1.00000
     67      -9.1395      1.00000
     68      -9.1230      1.00000
     69      -9.0975      1.00000
     70      -8.9467      1.00000
     71      -8.8876      1.00000
     72      -8.6506      1.00000
     73      -8.5982      1.00000
     74      -8.2483      1.00000
     75      -8.0842      1.00000
     76      -7.9117      1.00000
     77      -7.8861      1.00000
     78      -7.8003      1.00000
     79      -7.7276      1.00000
     80      -7.7073      1.00000
     81      -7.5526      1.00000
     82      -7.3391      1.00000
     83      -7.2836      1.00000
     84      -7.2049      1.00000
     85      -7.1225      1.00000
     86      -7.0443      1.00000
     87      -7.0416      1.00000
     88      -6.7182      1.00000
     89      -6.6845      1.00000
     90      -6.6434      1.00000
     91      -6.5931      1.00000
     92      -6.1590      1.00000
     93      -6.0777      1.00000
     94      -6.0058      1.00000
     95      -5.9806      1.00000
     96      -5.8088      1.00000
     97      -4.9945      1.00000
     98      -4.8220      1.00000
     99      -4.7443      1.00000
    100      -4.6971      1.00000
    101      -4.4719      1.00000
    102      -4.2070      1.00000
    103      -4.1477      1.00000
    104      -4.1209      1.00000
    105      -3.7257      1.00000
    106      -3.4819      1.00000
    107      -1.8892      0.00000
    108      -1.8428      0.00000
    109      -1.5139      0.00000
    110      -1.4298      0.00000
    111      -1.2995      0.00000
    112      -1.2620      0.00000
    113      -0.6991      0.00000
    114      -0.3714      0.00000
    115      -0.2846      0.00000
    116       0.0443      0.00000
    117       0.5303      0.00000
    118       0.6586      0.00000
    119       0.7503      0.00000
    120       1.0282      0.00000
    121       1.1262      0.00000
    122       1.1342      0.00000
    123       1.2284      0.00000
    124       1.3566      0.00000
    125       1.4934      0.00000
    126       1.5426      0.00000
    127       1.6906      0.00000
    128       1.7997      0.00000
    129       1.8326      0.00000
    130       1.8616      0.00000
    131       2.0687      0.00000
    132       2.1492      0.00000
    133       2.2112      0.00000
    134       2.2666      0.00000
    135       2.4781      0.00000
    136       2.5457      0.00000
    137       2.6337      0.00000
    138       2.7457      0.00000
    139       2.7750      0.00000
    140       2.8388      0.00000
    141       2.8520      0.00000
    142       2.8688      0.00000
    143       2.9280      0.00000
    144       3.0289      0.00000
    145       3.1230      0.00000
    146       3.2689      0.00000
    147       3.3779      0.00000
    148       3.4221      0.00000
    149       3.4401      0.00000
    150       3.5893      0.00000
    151       3.6261      0.00000
    152       3.6488      0.00000
    153       3.6942      0.00000
    154       3.8725      0.00000
    155       3.9204      0.00000
    156       3.9804      0.00000
    157       4.0310      0.00000
    158       4.2065      0.00000
    159       4.2276      0.00000
    160       4.2369      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2862      1.00000
      2     -22.0815      1.00000
      3     -21.7186      1.00000
      4     -21.6888      1.00000
      5     -20.9819      1.00000
      6     -20.9434      1.00000
      7     -20.6150      1.00000
      8     -20.5801      1.00000
      9     -20.5741      1.00000
     10     -20.0385      1.00000
     11     -19.5053      1.00000
     12     -19.4924      1.00000
     13     -19.3104      1.00000
     14     -19.3015      1.00000
     15     -18.4549      1.00000
     16     -18.4183      1.00000
     17     -17.9346      1.00000
     18     -17.9042      1.00000
     19     -17.7717      1.00000
     20     -17.7351      1.00000
     21     -17.4539      1.00000
     22     -17.4130      1.00000
     23     -17.3630      1.00000
     24     -16.4635      1.00000
     25     -16.4490      1.00000
     26     -15.9480      1.00000
     27     -15.4511      1.00000
     28     -15.3893      1.00000
     29     -15.1260      1.00000
     30     -15.0796      1.00000
     31     -14.8928      1.00000
     32     -14.8650      1.00000
     33     -14.2893      1.00000
     34     -14.2371      1.00000
     35     -13.4435      1.00000
     36     -13.3765      1.00000
     37     -13.2016      1.00000
     38     -13.1777      1.00000
     39     -12.9762      1.00000
     40     -12.9611      1.00000
     41     -12.6402      1.00000
     42     -12.6200      1.00000
     43     -12.1911      1.00000
     44     -11.5968      1.00000
     45     -11.5516      1.00000
     46     -11.3447      1.00000
     47     -11.2863      1.00000
     48     -11.1339      1.00000
     49     -10.7100      1.00000
     50     -10.6221      1.00000
     51     -10.5526      1.00000
     52     -10.3346      1.00000
     53     -10.3077      1.00000
     54     -10.1798      1.00000
     55     -10.1476      1.00000
     56     -10.0813      1.00000
     57      -9.8007      1.00000
     58      -9.7601      1.00000
     59      -9.7441      1.00000
     60      -9.7079      1.00000
     61      -9.6804      1.00000
     62      -9.6634      1.00000
     63      -9.3592      1.00000
     64      -9.3363      1.00000
     65      -9.3265      1.00000
     66      -9.0577      1.00000
     67      -8.9938      1.00000
     68      -8.9277      1.00000
     69      -8.8013      1.00000
     70      -8.6100      1.00000
     71      -8.5667      1.00000
     72      -8.4014      1.00000
     73      -8.3754      1.00000
     74      -8.3628      1.00000
     75      -8.3194      1.00000
     76      -8.3041      1.00000
     77      -8.2641      1.00000
     78      -8.2425      1.00000
     79      -7.9197      1.00000
     80      -7.6603      1.00000
     81      -7.5452      1.00000
     82      -7.3550      1.00000
     83      -7.3133      1.00000
     84      -7.2121      1.00000
     85      -7.0998      1.00000
     86      -7.0304      1.00000
     87      -6.9412      1.00000
     88      -6.8389      1.00000
     89      -6.6431      1.00000
     90      -6.5487      1.00000
     91      -6.2904      1.00000
     92      -6.0612      1.00000
     93      -5.9616      1.00000
     94      -5.6912      1.00000
     95      -5.5864      1.00000
     96      -5.4816      1.00000
     97      -5.3527      1.00000
     98      -5.2873      1.00000
     99      -5.2492      1.00000
    100      -5.1523      1.00000
    101      -4.5041      1.00000
    102      -4.2080      1.00000
    103      -4.0441      1.00000
    104      -3.9723      1.00000
    105      -3.6896      1.00000
    106      -3.4901      1.00000
    107      -1.9776      0.00000
    108      -1.9244      0.00000
    109      -1.3162      0.00000
    110      -1.1287      0.00000
    111      -1.0458      0.00000
    112      -0.7906      0.00000
    113      -0.7248      0.00000
    114      -0.6297      0.00000
    115      -0.5854      0.00000
    116      -0.0987      0.00000
    117       0.2148      0.00000
    118       0.3469      0.00000
    119       0.6701      0.00000
    120       0.8621      0.00000
    121       1.0970      0.00000
    122       1.1902      0.00000
    123       1.2996      0.00000
    124       1.3913      0.00000
    125       1.5216      0.00000
    126       1.5605      0.00000
    127       1.6426      0.00000
    128       1.7845      0.00000
    129       1.8417      0.00000
    130       2.0201      0.00000
    131       2.1093      0.00000
    132       2.3214      0.00000
    133       2.3581      0.00000
    134       2.3602      0.00000
    135       2.5032      0.00000
    136       2.6095      0.00000
    137       2.6958      0.00000
    138       2.7534      0.00000
    139       2.8188      0.00000
    140       2.8596      0.00000
    141       3.0177      0.00000
    142       3.0316      0.00000
    143       3.1219      0.00000
    144       3.2293      0.00000
    145       3.3279      0.00000
    146       3.3827      0.00000
    147       3.3992      0.00000
    148       3.5502      0.00000
    149       3.5617      0.00000
    150       3.5639      0.00000
    151       3.6364      0.00000
    152       3.6650      0.00000
    153       3.7520      0.00000
    154       3.7733      0.00000
    155       3.7992      0.00000
    156       3.8609      0.00000
    157       3.8843      0.00000
    158       3.9544      0.00000
    159       4.1708      0.00000
    160       4.1994      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3203      1.00000
      2     -21.9651      1.00000
      3     -21.8980      1.00000
      4     -21.3826      1.00000
      5     -21.3545      1.00000
      6     -20.8443      1.00000
      7     -20.7806      1.00000
      8     -20.6305      1.00000
      9     -20.0783      1.00000
     10     -20.0726      1.00000
     11     -19.7218      1.00000
     12     -19.6984      1.00000
     13     -18.9992      1.00000
     14     -18.9934      1.00000
     15     -18.6343      1.00000
     16     -18.6220      1.00000
     17     -18.4749      1.00000
     18     -17.6920      1.00000
     19     -17.6428      1.00000
     20     -17.6385      1.00000
     21     -17.5980      1.00000
     22     -17.1247      1.00000
     23     -17.1100      1.00000
     24     -16.9206      1.00000
     25     -15.9920      1.00000
     26     -15.9559      1.00000
     27     -15.5712      1.00000
     28     -15.5709      1.00000
     29     -15.3605      1.00000
     30     -14.8402      1.00000
     31     -14.8166      1.00000
     32     -14.5883      1.00000
     33     -14.5498      1.00000
     34     -14.1942      1.00000
     35     -14.1815      1.00000
     36     -13.0964      1.00000
     37     -13.0889      1.00000
     38     -13.0353      1.00000
     39     -13.0312      1.00000
     40     -12.7071      1.00000
     41     -12.7032      1.00000
     42     -12.3391      1.00000
     43     -12.3089      1.00000
     44     -11.6707      1.00000
     45     -11.6572      1.00000
     46     -11.6270      1.00000
     47     -10.9684      1.00000
     48     -10.9373      1.00000
     49     -10.6237      1.00000
     50     -10.6037      1.00000
     51     -10.5404      1.00000
     52     -10.4962      1.00000
     53     -10.4958      1.00000
     54     -10.3790      1.00000
     55     -10.3466      1.00000
     56     -10.1018      1.00000
     57      -9.9074      1.00000
     58      -9.5898      1.00000
     59      -9.5406      1.00000
     60      -9.4588      1.00000
     61      -9.4258      1.00000
     62      -9.4095      1.00000
     63      -9.3546      1.00000
     64      -9.3500      1.00000
     65      -9.2854      1.00000
     66      -9.2169      1.00000
     67      -9.1911      1.00000
     68      -9.1848      1.00000
     69      -8.8763      1.00000
     70      -8.8698      1.00000
     71      -8.8254      1.00000
     72      -8.6075      1.00000
     73      -8.4923      1.00000
     74      -8.2281      1.00000
     75      -8.1945      1.00000
     76      -8.0217      1.00000
     77      -7.9511      1.00000
     78      -7.8090      1.00000
     79      -7.7982      1.00000
     80      -7.7187      1.00000
     81      -7.6969      1.00000
     82      -7.6246      1.00000
     83      -7.4516      1.00000
     84      -7.3163      1.00000
     85      -7.2547      1.00000
     86      -6.9038      1.00000
     87      -6.8969      1.00000
     88      -6.5921      1.00000
     89      -6.5543      1.00000
     90      -6.3270      1.00000
     91      -6.2968      1.00000
     92      -6.2278      1.00000
     93      -6.2065      1.00000
     94      -6.0506      1.00000
     95      -5.5792      1.00000
     96      -5.5204      1.00000
     97      -5.3809      1.00000
     98      -5.2551      1.00000
     99      -4.9245      1.00000
    100      -4.7367      1.00000
    101      -4.6749      1.00000
    102      -4.3849      1.00000
    103      -4.2041      1.00000
    104      -3.8547      1.00000
    105      -3.5053      1.00000
    106      -3.5032      1.00000
    107      -2.3251      0.00000
    108      -1.4527      0.00000
    109      -1.4415      0.00000
    110      -1.2593      0.00000
    111      -1.0817      0.00000
    112      -0.9154      0.00000
    113      -0.8295      0.00000
    114      -0.7672      0.00000
    115      -0.1362      0.00000
    116       0.0635      0.00000
    117       0.2086      0.00000
    118       0.4032      0.00000
    119       0.6261      0.00000
    120       0.8218      0.00000
    121       0.9242      0.00000
    122       1.0403      0.00000
    123       1.2087      0.00000
    124       1.4219      0.00000
    125       1.5112      0.00000
    126       1.7673      0.00000
    127       1.7842      0.00000
    128       1.8530      0.00000
    129       1.9272      0.00000
    130       2.0190      0.00000
    131       2.1406      0.00000
    132       2.1729      0.00000
    133       2.3740      0.00000
    134       2.4579      0.00000
    135       2.5204      0.00000
    136       2.5757      0.00000
    137       2.6155      0.00000
    138       2.6653      0.00000
    139       2.7479      0.00000
    140       2.7925      0.00000
    141       2.9161      0.00000
    142       3.0445      0.00000
    143       3.1557      0.00000
    144       3.2030      0.00000
    145       3.2379      0.00000
    146       3.2987      0.00000
    147       3.3041      0.00000
    148       3.4324      0.00000
    149       3.4555      0.00000
    150       3.6718      0.00000
    151       3.6750      0.00000
    152       3.7252      0.00000
    153       3.8406      0.00000
    154       3.8777      0.00000
    155       3.9083      0.00000
    156       3.9776      0.00000
    157       4.0009      0.00000
    158       4.0147      0.00000
    159       4.0512      0.00000
    160       4.0553      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2123      1.00000
      2     -22.1216      1.00000
      3     -21.9602      1.00000
      4     -21.4071      1.00000
      5     -21.0532      1.00000
      6     -21.0182      1.00000
      7     -20.5039      1.00000
      8     -20.4652      1.00000
      9     -20.3004      1.00000
     10     -20.2815      1.00000
     11     -19.9595      1.00000
     12     -19.8942      1.00000
     13     -18.8833      1.00000
     14     -18.8148      1.00000
     15     -18.3619      1.00000
     16     -18.3138      1.00000
     17     -18.1620      1.00000
     18     -18.1345      1.00000
     19     -17.8378      1.00000
     20     -17.7944      1.00000
     21     -17.2744      1.00000
     22     -17.2139      1.00000
     23     -17.1916      1.00000
     24     -17.1309      1.00000
     25     -16.0851      1.00000
     26     -15.9290      1.00000
     27     -15.8519      1.00000
     28     -15.8264      1.00000
     29     -15.2623      1.00000
     30     -14.5744      1.00000
     31     -14.5194      1.00000
     32     -14.3109      1.00000
     33     -13.9673      1.00000
     34     -13.9362      1.00000
     35     -13.8386      1.00000
     36     -13.7632      1.00000
     37     -13.6340      1.00000
     38     -13.5835      1.00000
     39     -13.3655      1.00000
     40     -12.6175      1.00000
     41     -12.2014      1.00000
     42     -12.1452      1.00000
     43     -12.1036      1.00000
     44     -12.0216      1.00000
     45     -11.6652      1.00000
     46     -11.6458      1.00000
     47     -11.1644      1.00000
     48     -11.1027      1.00000
     49     -10.8122      1.00000
     50     -10.7420      1.00000
     51     -10.5277      1.00000
     52     -10.2254      1.00000
     53     -10.1922      1.00000
     54     -10.1687      1.00000
     55     -10.0156      1.00000
     56     -10.0035      1.00000
     57      -9.9826      1.00000
     58      -9.8184      1.00000
     59      -9.8007      1.00000
     60      -9.7846      1.00000
     61      -9.7026      1.00000
     62      -9.4666      1.00000
     63      -9.4196      1.00000
     64      -9.0869      1.00000
     65      -9.0665      1.00000
     66      -9.0316      1.00000
     67      -8.9913      1.00000
     68      -8.8815      1.00000
     69      -8.7431      1.00000
     70      -8.6761      1.00000
     71      -8.5867      1.00000
     72      -8.5677      1.00000
     73      -8.5291      1.00000
     74      -8.4933      1.00000
     75      -8.4263      1.00000
     76      -8.2602      1.00000
     77      -8.1360      1.00000
     78      -8.0508      1.00000
     79      -7.8806      1.00000
     80      -7.8662      1.00000
     81      -7.6257      1.00000
     82      -7.5742      1.00000
     83      -7.5134      1.00000
     84      -7.2660      1.00000
     85      -6.9919      1.00000
     86      -6.8946      1.00000
     87      -6.8403      1.00000
     88      -6.5884      1.00000
     89      -6.4894      1.00000
     90      -6.4636      1.00000
     91      -6.3955      1.00000
     92      -6.0033      1.00000
     93      -5.9094      1.00000
     94      -5.8140      1.00000
     95      -5.7315      1.00000
     96      -5.4540      1.00000
     97      -5.3377      1.00000
     98      -5.2558      1.00000
     99      -5.2518      1.00000
    100      -5.1369      1.00000
    101      -4.6816      1.00000
    102      -4.4147      1.00000
    103      -4.2098      1.00000
    104      -3.8263      1.00000
    105      -3.5237      1.00000
    106      -3.2560      1.00000
    107      -2.5623      0.00000
    108      -1.4422      0.00000
    109      -1.3167      0.00000
    110      -1.2206      0.00000
    111      -1.1633      0.00000
    112      -0.7085      0.00000
    113      -0.5095      0.00000
    114      -0.4150      0.00000
    115      -0.3459      0.00000
    116      -0.1326      0.00000
    117       0.0084      0.00000
    118       0.2025      0.00000
    119       0.5284      0.00000
    120       0.6027      0.00000
    121       0.7745      0.00000
    122       0.8794      0.00000
    123       1.1074      0.00000
    124       1.4561      0.00000
    125       1.6071      0.00000
    126       1.8022      0.00000
    127       1.8944      0.00000
    128       2.0668      0.00000
    129       2.0852      0.00000
    130       2.1425      0.00000
    131       2.1756      0.00000
    132       2.2638      0.00000
    133       2.3234      0.00000
    134       2.4596      0.00000
    135       2.5631      0.00000
    136       2.6259      0.00000
    137       2.8219      0.00000
    138       2.8750      0.00000
    139       2.8825      0.00000
    140       2.9824      0.00000
    141       3.0006      0.00000
    142       3.1098      0.00000
    143       3.1757      0.00000
    144       3.2138      0.00000
    145       3.2565      0.00000
    146       3.2595      0.00000
    147       3.2748      0.00000
    148       3.3263      0.00000
    149       3.3823      0.00000
    150       3.4083      0.00000
    151       3.5054      0.00000
    152       3.5921      0.00000
    153       3.6989      0.00000
    154       3.7108      0.00000
    155       3.7358      0.00000
    156       3.8732      0.00000
    157       3.9066      0.00000
    158       3.9729      0.00000
    159       4.0801      0.00000
    160       4.1787      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3199      1.00000
      2     -21.9670      1.00000
      3     -21.8961      1.00000
      4     -21.3881      1.00000
      5     -21.3528      1.00000
      6     -20.8419      1.00000
      7     -20.7762      1.00000
      8     -20.6272      1.00000
      9     -20.0945      1.00000
     10     -20.0664      1.00000
     11     -19.7220      1.00000
     12     -19.6925      1.00000
     13     -19.0150      1.00000
     14     -18.9826      1.00000
     15     -18.6596      1.00000
     16     -18.6246      1.00000
     17     -18.4607      1.00000
     18     -17.6690      1.00000
     19     -17.6383      1.00000
     20     -17.6066      1.00000
     21     -17.5756      1.00000
     22     -17.1508      1.00000
     23     -17.0975      1.00000
     24     -16.9929      1.00000
     25     -16.0394      1.00000
     26     -15.8969      1.00000
     27     -15.6263      1.00000
     28     -15.5727      1.00000
     29     -15.2479      1.00000
     30     -14.8992      1.00000
     31     -14.8400      1.00000
     32     -14.6007      1.00000
     33     -14.5113      1.00000
     34     -14.1623      1.00000
     35     -14.1478      1.00000
     36     -13.1916      1.00000
     37     -13.1114      1.00000
     38     -13.0513      1.00000
     39     -12.9925      1.00000
     40     -12.7357      1.00000
     41     -12.6926      1.00000
     42     -12.3625      1.00000
     43     -12.3030      1.00000
     44     -11.6408      1.00000
     45     -11.5939      1.00000
     46     -11.5470      1.00000
     47     -10.9409      1.00000
     48     -10.9128      1.00000
     49     -10.6824      1.00000
     50     -10.6101      1.00000
     51     -10.5776      1.00000
     52     -10.5231      1.00000
     53     -10.4772      1.00000
     54     -10.4742      1.00000
     55     -10.3690      1.00000
     56     -10.1063      1.00000
     57      -9.9012      1.00000
     58      -9.6230      1.00000
     59      -9.5652      1.00000
     60      -9.4647      1.00000
     61      -9.4234      1.00000
     62      -9.4109      1.00000
     63      -9.4010      1.00000
     64      -9.3756      1.00000
     65      -9.2726      1.00000
     66      -9.1703      1.00000
     67      -9.1095      1.00000
     68      -9.0817      1.00000
     69      -8.8835      1.00000
     70      -8.8413      1.00000
     71      -8.8062      1.00000
     72      -8.5946      1.00000
     73      -8.5262      1.00000
     74      -8.1957      1.00000
     75      -8.1484      1.00000
     76      -8.0864      1.00000
     77      -7.9065      1.00000
     78      -7.8391      1.00000
     79      -7.8312      1.00000
     80      -7.7606      1.00000
     81      -7.6628      1.00000
     82      -7.6095      1.00000
     83      -7.5235      1.00000
     84      -7.3631      1.00000
     85      -7.1652      1.00000
     86      -6.9591      1.00000
     87      -6.8451      1.00000
     88      -6.6171      1.00000
     89      -6.5388      1.00000
     90      -6.4678      1.00000
     91      -6.3212      1.00000
     92      -6.2658      1.00000
     93      -6.1494      1.00000
     94      -5.9963      1.00000
     95      -5.5541      1.00000
     96      -5.4189      1.00000
     97      -5.3160      1.00000
     98      -5.1891      1.00000
     99      -5.0736      1.00000
    100      -4.7534      1.00000
    101      -4.6516      1.00000
    102      -4.4180      1.00000
    103      -4.1990      1.00000
    104      -3.8405      1.00000
    105      -3.6509      1.00000
    106      -3.4235      1.00000
    107      -2.2662      0.00000
    108      -1.4898      0.00000
    109      -1.3024      0.00000
    110      -1.2308      0.00000
    111      -1.0531      0.00000
    112      -1.0083      0.00000
    113      -0.8969      0.00000
    114      -0.8137      0.00000
    115      -0.2538      0.00000
    116       0.2190      0.00000
    117       0.2285      0.00000
    118       0.3576      0.00000
    119       0.6650      0.00000
    120       0.8649      0.00000
    121       0.9440      0.00000
    122       1.0211      0.00000
    123       1.1445      0.00000
    124       1.4829      0.00000
    125       1.5199      0.00000
    126       1.6773      0.00000
    127       1.7609      0.00000
    128       1.8257      0.00000
    129       1.9290      0.00000
    130       1.9583      0.00000
    131       2.1638      0.00000
    132       2.2197      0.00000
    133       2.3778      0.00000
    134       2.4568      0.00000
    135       2.5295      0.00000
    136       2.5916      0.00000
    137       2.6305      0.00000
    138       2.6716      0.00000
    139       2.7330      0.00000
    140       2.8200      0.00000
    141       3.0066      0.00000
    142       3.0509      0.00000
    143       3.1625      0.00000
    144       3.2236      0.00000
    145       3.2361      0.00000
    146       3.2763      0.00000
    147       3.3197      0.00000
    148       3.4168      0.00000
    149       3.4824      0.00000
    150       3.6633      0.00000
    151       3.6953      0.00000
    152       3.7001      0.00000
    153       3.7986      0.00000
    154       3.8657      0.00000
    155       3.8966      0.00000
    156       3.9507      0.00000
    157       3.9906      0.00000
    158       4.0274      0.00000
    159       4.0436      0.00000
    160       4.0769      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3922      1.00000
      2     -21.8327      1.00000
      3     -21.6453      1.00000
      4     -21.6111      1.00000
      5     -21.2824      1.00000
      6     -21.2360      1.00000
      7     -21.0583      1.00000
      8     -20.1732      1.00000
      9     -20.1279      1.00000
     10     -19.6253      1.00000
     11     -19.5994      1.00000
     12     -19.4138      1.00000
     13     -19.0974      1.00000
     14     -19.0620      1.00000
     15     -19.0585      1.00000
     16     -19.0407      1.00000
     17     -18.3756      1.00000
     18     -18.3558      1.00000
     19     -18.0058      1.00000
     20     -17.0619      1.00000
     21     -17.0095      1.00000
     22     -16.9623      1.00000
     23     -16.9514      1.00000
     24     -16.5057      1.00000
     25     -16.4933      1.00000
     26     -15.5941      1.00000
     27     -15.5936      1.00000
     28     -15.2215      1.00000
     29     -15.2167      1.00000
     30     -15.2019      1.00000
     31     -15.1369      1.00000
     32     -15.1114      1.00000
     33     -14.6933      1.00000
     34     -14.6926      1.00000
     35     -13.7155      1.00000
     36     -13.7153      1.00000
     37     -13.2602      1.00000
     38     -12.6573      1.00000
     39     -12.6176      1.00000
     40     -12.4743      1.00000
     41     -12.4684      1.00000
     42     -12.0646      1.00000
     43     -12.0602      1.00000
     44     -11.7046      1.00000
     45     -11.6662      1.00000
     46     -11.2722      1.00000
     47     -11.2538      1.00000
     48     -11.0277      1.00000
     49     -11.0164      1.00000
     50     -10.9003      1.00000
     51     -10.8716      1.00000
     52     -10.6369      1.00000
     53     -10.2158      1.00000
     54     -10.1994      1.00000
     55     -10.1252      1.00000
     56      -9.9963      1.00000
     57      -9.6769      1.00000
     58      -9.6765      1.00000
     59      -9.6642      1.00000
     60      -9.5932      1.00000
     61      -9.5669      1.00000
     62      -9.5576      1.00000
     63      -9.3226      1.00000
     64      -9.3121      1.00000
     65      -9.2891      1.00000
     66      -9.2284      1.00000
     67      -9.1319      1.00000
     68      -9.1306      1.00000
     69      -9.1238      1.00000
     70      -8.9365      1.00000
     71      -8.8556      1.00000
     72      -8.5719      1.00000
     73      -8.5542      1.00000
     74      -8.2788      1.00000
     75      -8.1553      1.00000
     76      -7.8433      1.00000
     77      -7.8340      1.00000
     78      -7.7967      1.00000
     79      -7.7743      1.00000
     80      -7.7668      1.00000
     81      -7.4402      1.00000
     82      -7.3784      1.00000
     83      -7.3730      1.00000
     84      -7.2850      1.00000
     85      -7.1860      1.00000
     86      -6.9726      1.00000
     87      -6.9622      1.00000
     88      -6.7367      1.00000
     89      -6.7108      1.00000
     90      -6.6220      1.00000
     91      -6.5868      1.00000
     92      -6.2047      1.00000
     93      -6.0683      1.00000
     94      -6.0676      1.00000
     95      -5.9588      1.00000
     96      -5.7071      1.00000
     97      -4.9876      1.00000
     98      -4.8594      1.00000
     99      -4.6803      1.00000
    100      -4.6353      1.00000
    101      -4.4872      1.00000
    102      -4.3624      1.00000
    103      -4.1412      1.00000
    104      -4.0768      1.00000
    105      -3.7572      1.00000
    106      -3.4625      1.00000
    107      -1.9151      0.00000
    108      -1.7322      0.00000
    109      -1.4900      0.00000
    110      -1.3756      0.00000
    111      -1.3638      0.00000
    112      -1.3154      0.00000
    113      -0.7306      0.00000
    114      -0.4685      0.00000
    115      -0.2202      0.00000
    116       0.0599      0.00000
    117       0.5605      0.00000
    118       0.7095      0.00000
    119       0.7838      0.00000
    120       0.9960      0.00000
    121       1.0675      0.00000
    122       1.1442      0.00000
    123       1.2368      0.00000
    124       1.3032      0.00000
    125       1.4017      0.00000
    126       1.5499      0.00000
    127       1.7493      0.00000
    128       1.8308      0.00000
    129       1.8842      0.00000
    130       1.9018      0.00000
    131       2.0278      0.00000
    132       2.1863      0.00000
    133       2.1906      0.00000
    134       2.2402      0.00000
    135       2.4562      0.00000
    136       2.5814      0.00000
    137       2.6299      0.00000
    138       2.7021      0.00000
    139       2.7713      0.00000
    140       2.8141      0.00000
    141       2.8245      0.00000
    142       2.8650      0.00000
    143       2.9332      0.00000
    144       3.0302      0.00000
    145       3.2669      0.00000
    146       3.3372      0.00000
    147       3.3919      0.00000
    148       3.4041      0.00000
    149       3.4087      0.00000
    150       3.5622      0.00000
    151       3.6391      0.00000
    152       3.6466      0.00000
    153       3.7077      0.00000
    154       3.8666      0.00000
    155       3.8847      0.00000
    156       3.9301      0.00000
    157       4.0662      0.00000
    158       4.1675      0.00000
    159       4.2201      0.00000
    160       4.2593      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1229      1.00000
      3     -21.9607      1.00000
      4     -21.4094      1.00000
      5     -21.0483      1.00000
      6     -21.0210      1.00000
      7     -20.4991      1.00000
      8     -20.4701      1.00000
      9     -20.2864      1.00000
     10     -20.2849      1.00000
     11     -19.9632      1.00000
     12     -19.9016      1.00000
     13     -18.8929      1.00000
     14     -18.8271      1.00000
     15     -18.3317      1.00000
     16     -18.3169      1.00000
     17     -18.1550      1.00000
     18     -18.1478      1.00000
     19     -17.8108      1.00000
     20     -17.7975      1.00000
     21     -17.2785      1.00000
     22     -17.2588      1.00000
     23     -17.1555      1.00000
     24     -17.1178      1.00000
     25     -16.1765      1.00000
     26     -15.8853      1.00000
     27     -15.8609      1.00000
     28     -15.8529      1.00000
     29     -15.1832      1.00000
     30     -14.5505      1.00000
     31     -14.5331      1.00000
     32     -14.2260      1.00000
     33     -14.0026      1.00000
     34     -13.9814      1.00000
     35     -13.8598      1.00000
     36     -13.8378      1.00000
     37     -13.5832      1.00000
     38     -13.5630      1.00000
     39     -13.3870      1.00000
     40     -12.6825      1.00000
     41     -12.1480      1.00000
     42     -12.1264      1.00000
     43     -12.0440      1.00000
     44     -11.9993      1.00000
     45     -11.6942      1.00000
     46     -11.6908      1.00000
     47     -11.1420      1.00000
     48     -11.1313      1.00000
     49     -10.7702      1.00000
     50     -10.7168      1.00000
     51     -10.5327      1.00000
     52     -10.2154      1.00000
     53     -10.2104      1.00000
     54     -10.1731      1.00000
     55     -10.0439      1.00000
     56     -10.0155      1.00000
     57     -10.0015      1.00000
     58      -9.8194      1.00000
     59      -9.8089      1.00000
     60      -9.7914      1.00000
     61      -9.7856      1.00000
     62      -9.4416      1.00000
     63      -9.4239      1.00000
     64      -9.1096      1.00000
     65      -9.0756      1.00000
     66      -9.0331      1.00000
     67      -8.9225      1.00000
     68      -8.8778      1.00000
     69      -8.7112      1.00000
     70      -8.7025      1.00000
     71      -8.5336      1.00000
     72      -8.5230      1.00000
     73      -8.4808      1.00000
     74      -8.4382      1.00000
     75      -8.4380      1.00000
     76      -8.3062      1.00000
     77      -8.0906      1.00000
     78      -8.0878      1.00000
     79      -8.0010      1.00000
     80      -7.8454      1.00000
     81      -7.6163      1.00000
     82      -7.4660      1.00000
     83      -7.4654      1.00000
     84      -7.3084      1.00000
     85      -7.0682      1.00000
     86      -6.9834      1.00000
     87      -6.9646      1.00000
     88      -6.5309      1.00000
     89      -6.4717      1.00000
     90      -6.4420      1.00000
     91      -6.4287      1.00000
     92      -5.9166      1.00000
     93      -5.8858      1.00000
     94      -5.7915      1.00000
     95      -5.7836      1.00000
     96      -5.3652      1.00000
     97      -5.3551      1.00000
     98      -5.2285      1.00000
     99      -5.2222      1.00000
    100      -5.1660      1.00000
    101      -4.7503      1.00000
    102      -4.4412      1.00000
    103      -4.1960      1.00000
    104      -3.8143      1.00000
    105      -3.5703      1.00000
    106      -3.2655      1.00000
    107      -2.5146      0.00000
    108      -1.4335      0.00000
    109      -1.3442      0.00000
    110      -1.1584      0.00000
    111      -1.1483      0.00000
    112      -0.6589      0.00000
    113      -0.5854      0.00000
    114      -0.4262      0.00000
    115      -0.3434      0.00000
    116      -0.1072      0.00000
    117      -0.1024      0.00000
    118       0.1146      0.00000
    119       0.6192      0.00000
    120       0.6477      0.00000
    121       0.8294      0.00000
    122       0.9637      0.00000
    123       0.9810      0.00000
    124       1.4684      0.00000
    125       1.6516      0.00000
    126       1.7157      0.00000
    127       1.8137      0.00000
    128       2.0702      0.00000
    129       2.1446      0.00000
    130       2.1748      0.00000
    131       2.2272      0.00000
    132       2.2627      0.00000
    133       2.3390      0.00000
    134       2.4722      0.00000
    135       2.5054      0.00000
    136       2.6318      0.00000
    137       2.8262      0.00000
    138       2.8323      0.00000
    139       2.9218      0.00000
    140       2.9790      0.00000
    141       3.0065      0.00000
    142       3.1081      0.00000
    143       3.1831      0.00000
    144       3.2174      0.00000
    145       3.2176      0.00000
    146       3.2596      0.00000
    147       3.2874      0.00000
    148       3.3337      0.00000
    149       3.3727      0.00000
    150       3.5057      0.00000
    151       3.5323      0.00000
    152       3.6180      0.00000
    153       3.6250      0.00000
    154       3.6972      0.00000
    155       3.7142      0.00000
    156       3.8672      0.00000
    157       3.9245      0.00000
    158       3.9933      0.00000
    159       4.0291      0.00000
    160       4.1349      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2854      1.00000
      2     -22.0815      1.00000
      3     -21.7242      1.00000
      4     -21.6858      1.00000
      5     -20.9857      1.00000
      6     -20.9388      1.00000
      7     -20.6140      1.00000
      8     -20.5798      1.00000
      9     -20.5688      1.00000
     10     -20.0319      1.00000
     11     -19.5216      1.00000
     12     -19.4918      1.00000
     13     -19.3206      1.00000
     14     -19.3070      1.00000
     15     -18.4474      1.00000
     16     -18.4048      1.00000
     17     -17.9374      1.00000
     18     -17.9168      1.00000
     19     -17.7599      1.00000
     20     -17.7154      1.00000
     21     -17.4537      1.00000
     22     -17.4351      1.00000
     23     -17.3081      1.00000
     24     -16.4997      1.00000
     25     -16.4888      1.00000
     26     -16.0182      1.00000
     27     -15.4032      1.00000
     28     -15.4022      1.00000
     29     -15.0905      1.00000
     30     -15.0879      1.00000
     31     -14.8078      1.00000
     32     -14.7949      1.00000
     33     -14.3293      1.00000
     34     -14.2890      1.00000
     35     -13.4761      1.00000
     36     -13.4356      1.00000
     37     -13.1605      1.00000
     38     -13.1595      1.00000
     39     -13.0152      1.00000
     40     -13.0069      1.00000
     41     -12.5869      1.00000
     42     -12.5852      1.00000
     43     -12.2243      1.00000
     44     -11.5595      1.00000
     45     -11.5189      1.00000
     46     -11.2903      1.00000
     47     -11.2600      1.00000
     48     -11.1735      1.00000
     49     -10.7065      1.00000
     50     -10.6826      1.00000
     51     -10.5491      1.00000
     52     -10.3316      1.00000
     53     -10.3244      1.00000
     54     -10.1779      1.00000
     55     -10.1311      1.00000
     56     -10.1170      1.00000
     57      -9.8202      1.00000
     58      -9.7782      1.00000
     59      -9.7708      1.00000
     60      -9.7192      1.00000
     61      -9.7189      1.00000
     62      -9.6537      1.00000
     63      -9.3760      1.00000
     64      -9.3746      1.00000
     65      -9.3042      1.00000
     66      -9.0314      1.00000
     67      -8.9521      1.00000
     68      -8.9459      1.00000
     69      -8.7788      1.00000
     70      -8.5885      1.00000
     71      -8.5680      1.00000
     72      -8.4153      1.00000
     73      -8.3498      1.00000
     74      -8.3069      1.00000
     75      -8.2959      1.00000
     76      -8.2223      1.00000
     77      -8.2108      1.00000
     78      -8.1959      1.00000
     79      -7.9276      1.00000
     80      -7.7344      1.00000
     81      -7.4546      1.00000
     82      -7.4294      1.00000
     83      -7.3330      1.00000
     84      -7.2703      1.00000
     85      -7.1791      1.00000
     86      -7.0882      1.00000
     87      -6.9803      1.00000
     88      -6.9275      1.00000
     89      -6.6366      1.00000
     90      -6.5500      1.00000
     91      -6.1985      1.00000
     92      -5.9845      1.00000
     93      -5.9425      1.00000
     94      -5.6943      1.00000
     95      -5.6683      1.00000
     96      -5.3740      1.00000
     97      -5.2852      1.00000
     98      -5.2710      1.00000
     99      -5.2141      1.00000
    100      -5.2042      1.00000
    101      -4.5104      1.00000
    102      -4.3443      1.00000
    103      -4.0307      1.00000
    104      -3.9162      1.00000
    105      -3.7965      1.00000
    106      -3.4446      1.00000
    107      -1.9912      0.00000
    108      -1.8181      0.00000
    109      -1.2608      0.00000
    110      -1.2016      0.00000
    111      -1.0173      0.00000
    112      -0.7701      0.00000
    113      -0.7059      0.00000
    114      -0.6665      0.00000
    115      -0.6364      0.00000
    116      -0.1085      0.00000
    117       0.1845      0.00000
    118       0.2173      0.00000
    119       0.7429      0.00000
    120       0.9641      0.00000
    121       1.0741      0.00000
    122       1.2514      0.00000
    123       1.2587      0.00000
    124       1.3152      0.00000
    125       1.5757      0.00000
    126       1.6075      0.00000
    127       1.6774      0.00000
    128       1.7680      0.00000
    129       1.9101      0.00000
    130       1.9102      0.00000
    131       2.0810      0.00000
    132       2.2826      0.00000
    133       2.3177      0.00000
    134       2.3866      0.00000
    135       2.4953      0.00000
    136       2.6014      0.00000
    137       2.7603      0.00000
    138       2.8160      0.00000
    139       2.8234      0.00000
    140       2.8468      0.00000
    141       3.0244      0.00000
    142       3.0720      0.00000
    143       3.1104      0.00000
    144       3.1846      0.00000
    145       3.3405      0.00000
    146       3.3855      0.00000
    147       3.4649      0.00000
    148       3.5037      0.00000
    149       3.5643      0.00000
    150       3.5822      0.00000
    151       3.6093      0.00000
    152       3.7053      0.00000
    153       3.7131      0.00000
    154       3.7531      0.00000
    155       3.8090      0.00000
    156       3.8491      0.00000
    157       3.9772      0.00000
    158       4.0524      0.00000
    159       4.1382      0.00000
    160       4.1682      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0424   -7.3938    4.2002   -1.2766   -0.2402   17.7694    0.1371   -0.5313    0.6327   -0.4636
x    -3.0956   -0.0374   -0.0634    0.0623   -0.0098   -2.9899   -0.0107   -0.0067    0.0048    0.0016
x    -0.1026    0.0018   -0.0012    0.0004    0.0002   -0.0230   -0.0001   -0.0001    0.0000    0.0001
x    -0.0036    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0424    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0002    0.0005    0.0006   -0.0818   -0.0088    0.0378    0.0392
y    -0.0446   -3.2388   -0.5412   -0.1631   -1.1971   -0.6052
z   204.0424    1.1105   -0.3128    0.0475    0.0196    0.0768   -0.0010    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1127    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7985
z    -0.2197    0.2310   -0.0545    0.0612   -0.0791    0.0008
 total charge-density along one line
x   212.0000  -10.2237    6.1483   -2.0867   -0.4762   19.6969   -1.0083    0.4772   -0.0477   -0.1227
x    -2.6568   -0.0276   -0.0611    0.0852   -0.0539   -2.2314   -0.0250   -0.0021    0.0050    0.0022
x    -0.0948    0.0060   -0.0049    0.0027   -0.0009   -0.0341   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0057    0.0000   -0.0001    0.0000    0.0000    0.0014   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2237    6.1483   -2.0867   -0.4762   19.6969   -1.0083    0.4772   -0.0477   -0.1227
y    -2.6568   -0.0276   -0.0611    0.0852   -0.0539   -2.2314   -0.0250   -0.0021    0.0050    0.0022
y    -0.0948    0.0060   -0.0049    0.0027   -0.0009   -0.0341   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0057    0.0000   -0.0001    0.0000    0.0000    0.0014   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3188  188.8822 -170.1379  154.0624 -140.5284  126.8420 -111.4645   95.1019  -79.2849
z    64.8992  -52.1019   41.0042  -31.9375   25.0636  -19.9937   15.9617  -12.3629    9.0857   -6.3583
z     4.3569   -2.9911    2.0078   -1.2177    0.5886   -0.1576   -0.0921    0.2476   -0.3864    0.5121
z    -0.5768    0.5535   -0.4733    0.3958   -0.3541    0.3360   -0.3109    0.2656   -0.2128    0.1706
z    -0.1439    0.1248   -0.1046    0.0830   -0.0653    0.0546   -0.0485    0.0427   -0.0358    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.131   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.100   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.028   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.131   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.100   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.028   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.057   0.000  -0.069   0.000  -0.024   0.077  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.813   0.000   0.212   0.000   0.000   0.271   0.000  -0.312   0.000   0.000   0.000   0.035   0.000  -0.116  -0.047
  0.050   0.000   1.796   0.000  -0.024  -0.052   0.000   0.305   0.000   0.028  -0.192  -0.031   0.000   0.097   0.000   0.000
  0.000   0.212   0.000   1.568   0.000   0.000  -0.312   0.000   0.631   0.000   0.000   0.000  -0.118   0.000   0.172  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.027   0.000   0.000
  0.057   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.132   0.000  -0.034  -0.280   0.082   0.000  -0.094   0.000   0.000
  0.000   0.271   0.000  -0.312   0.000   0.000   0.156   0.000  -0.192   0.000   0.000   0.000   0.012   0.000  -0.052  -0.005
 -0.069   0.000   0.305   0.000   0.037  -0.132   0.000   0.416   0.000   0.077   0.589  -0.238   0.000   0.064   0.000   0.000
  0.000  -0.312   0.000   0.631   0.000   0.000  -0.192   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.070   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.077   0.000  -0.192   0.000  -0.051  -0.280   0.000   0.589   0.000   0.163   1.370  -0.420   0.000   0.285   0.000   0.000
 -0.018   0.000  -0.031   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.175   0.000  -0.036   0.000   0.000
  0.000   0.035   0.000  -0.118   0.000   0.000   0.012   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.097   0.000   0.027  -0.094   0.000   0.064   0.000   0.053   0.285  -0.036   0.000   0.262   0.000   0.000
  0.000  -0.116   0.000   0.172   0.000   0.000  -0.052   0.000   0.070   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.013   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.645   0.259   8.033   8.937
  2        0.522   0.028   0.000   0.549
  3        0.522   0.028   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.779   0.000   2.639
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.782   0.000   2.646
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.646
 38        0.864   1.783   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.779   0.000   2.639
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.421   8.033 142.323
 


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


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


    CHARGE:  VPU time  114.25: CPU time   57.51
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  436.69: CPU time  219.15
    STRESS:  VPU time 1315.40: CPU time  661.36
    FORCOR:  VPU time    8.61: CPU time    8.61
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.19: CPU time    0.19
 d Force =-0.2696984E-01[-0.691E-01, 0.152E-01]  d Energy =-0.3103019E-01 0.406E-02
 d Force = 0.1754357E+01[ 0.156E+01, 0.195E+01]  d Ewald  =-0.4884528E+02 0.506E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.692832 eV

  energy  without entropy=     -471.692832  energy(sigma->0) =     -471.692832
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40824.34  40744.60 -47502.28    -69.05      0.00      0.00
  Hartree  40233.99  40212.35 -39488.98    -18.74      0.00      0.00
  E(xc)     -779.34   -779.75   -807.34     -0.36      0.00      0.00
  Local   -83338.73 -83253.71  84306.27     73.63      0.00      0.00
  n-local   -216.83   -215.61   -203.50      0.77      0.00      0.00
  augment     20.03     22.08     17.80      1.78      0.00      0.00
  Kinetic   3160.87   3177.39   3583.94      5.75      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        2.08     -2.55     -0.15     -4.01      0.00      0.00
  in kB        1.26     -1.55     -0.09     -2.44      0.00      0.00
  external pressure =       -0.13 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.339757012  0.012486340  0.000000000     0.080991667  0.046651421  0.000000000
    -6.159071660 10.692782216  0.000000000    -0.000094577  0.093466553  0.000000000
     0.000000000  0.000000000 19.981798972     0.000000000  0.000000000  0.050045544

  length of vectors
    12.339763329 12.339763176 19.981798972     0.093466600  0.093466601  0.050045544


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.131E-05 -.508E-04 -.950E+03   0.423E-05 -.275E-04 0.959E+03   0.212E-21 0.847E-21 -.870E+01   0.148E-06 -.862E-07 0.113E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.892E+00 -.254E+01   -.387E-03 0.223E-03 0.241E-02
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.892E+00 -.254E+01   0.387E-03 -.223E-03 0.241E-02
   -.968E+00 0.559E+00 0.136E+02   0.784E+00 -.452E+00 -.135E+02   -.935E-01 0.540E-01 -.357E-01   0.174E-02 -.101E-02 -.215E-03
   0.721E+01 0.618E+01 0.164E+02   -.740E+01 -.608E+01 -.164E+02   -.995E-01 0.749E-01 -.357E-01   0.178E-02 -.227E-03 -.148E-03
   0.124E+02 0.435E+01 0.166E+02   -.126E+02 -.423E+01 -.165E+02   -.940E-01 0.677E-01 -.502E-01   0.150E-02 -.216E-02 -.673E-03
   0.584E+01 -.156E+01 0.154E+02   -.605E+01 0.169E+01 -.154E+02   -.841E-01 0.568E-01 -.106E-01   0.113E-02 -.616E-03 -.988E-03
   -.190E+01 -.311E+01 0.138E+02   0.170E+01 0.321E+01 -.138E+02   -.972E-01 0.592E-01 -.426E-02   0.129E-02 -.189E-03 -.601E-03
   0.174E+01 0.320E+01 0.138E+02   -.193E+01 -.308E+01 -.138E+02   -.999E-01 0.545E-01 -.426E-02   0.804E-03 -.103E-02 -.604E-03
   0.360E+01 0.179E+02 0.224E+02   -.381E+01 -.179E+02 -.224E+02   -.113E+00 0.168E+00 -.454E-01   0.953E-03 -.351E-03 -.495E-03
   0.238E+02 0.205E+02 0.404E+02   -.241E+02 -.207E+02 -.403E+02   -.490E-01 0.327E+00 -.702E-01   0.293E-02 -.205E-02 -.129E-02
   0.278E+02 -.405E+01 0.259E+02   -.283E+02 0.429E+01 -.258E+02   0.148E+00 -.464E-01 -.469E-01   0.193E-02 -.382E-02 -.203E-02
   0.104E+02 -.598E+01 0.156E+02   -.106E+02 0.613E+01 -.156E+02   -.704E-01 0.407E-01 -.195E-01   -.160E-02 0.916E-03 -.132E-02
   0.427E+01 -.428E+01 0.154E+02   -.449E+01 0.440E+01 -.154E+02   -.912E-01 0.444E-01 -.106E-01   0.110E-02 -.677E-03 -.995E-03
   -.468E+01 0.129E+02 0.178E+02   0.447E+01 -.128E+02 -.177E+02   -.115E+00 0.130E+00 -.386E-01   -.227E-03 -.278E-02 -.123E-02
   -.105E+02 0.352E+02 0.466E+02   0.103E+02 -.357E+02 -.469E+02   -.146E+00 0.675E+00 0.294E+00   -.221E-02 0.119E-02 -.250E-02
   0.243E+02 -.140E+02 0.914E+02   -.252E+02 0.145E+02 -.934E+02   0.527E+00 -.304E+00 0.202E+01   0.391E-02 -.226E-02 -.379E-02
   0.174E+02 -.221E+02 0.259E+02   -.179E+02 0.224E+02 -.258E+02   0.114E+00 -.105E+00 -.469E-01   0.427E-02 0.231E-03 -.203E-02
   0.240E+01 -.129E+02 0.166E+02   -.263E+01 0.130E+02 -.165E+02   -.106E+00 0.476E-01 -.502E-01   0.262E-02 -.219E-03 -.677E-03
   -.304E+01 0.127E+01 0.141E+02   0.284E+01 -.117E+01 -.141E+02   -.103E+00 0.668E-01 -.324E-01   0.369E-02 -.216E-02 -.937E-03
   -.179E+02 0.103E+02 0.226E+02   0.177E+02 -.102E+02 -.226E+02   -.164E+00 0.950E-01 -.349E-01   0.202E-02 -.116E-02 -.213E-02
   -.357E+02 -.852E+01 0.466E+02   0.360E+02 0.893E+01 -.469E+02   -.658E+00 -.211E+00 0.294E+00   -.213E-02 0.132E-02 -.250E-02
   -.589E+01 -.309E+02 0.404E+02   0.583E+01 0.312E+02 -.403E+02   -.308E+00 -.121E+00 -.702E-01   0.324E-02 -.151E-02 -.129E-02
   -.175E+01 -.933E+01 0.164E+02   0.157E+01 0.945E+01 -.164E+02   -.115E+00 0.487E-01 -.357E-01   0.109E-02 -.143E-02 -.149E-03
   0.245E+01 -.141E+01 0.130E+02   -.264E+01 0.152E+01 -.129E+02   -.960E-01 0.554E-01 -.297E-01   0.993E-03 -.571E-03 -.470E-03
   -.262E+01 0.200E+01 0.141E+02   0.243E+01 -.188E+01 -.141E+02   -.109E+00 0.554E-01 -.324E-01   0.372E-02 -.211E-02 -.933E-03
   -.135E+02 -.238E+01 0.178E+02   0.133E+02 0.253E+01 -.177E+02   -.170E+00 0.347E-01 -.386E-01   0.230E-02 0.159E-02 -.123E-02
   -.137E+02 -.121E+02 0.224E+02   0.136E+02 0.123E+02 -.224E+02   -.202E+00 0.139E-01 -.454E-01   0.783E-03 -.655E-03 -.492E-03
   0.175E+01 0.933E+01 0.164E+02   -.157E+01 -.945E+01 -.164E+02   0.115E+00 -.487E-01 -.357E-01   -.109E-02 0.143E-02 -.149E-03
   0.137E+02 0.121E+02 0.224E+02   -.136E+02 -.123E+02 -.224E+02   0.202E+00 -.139E-01 -.454E-01   -.782E-03 0.655E-03 -.492E-03
   0.135E+02 0.238E+01 0.178E+02   -.133E+02 -.253E+01 -.177E+02   0.170E+00 -.347E-01 -.386E-01   -.230E-02 -.159E-02 -.123E-02
   0.262E+01 -.200E+01 0.141E+02   -.243E+01 0.188E+01 -.141E+02   0.109E+00 -.554E-01 -.324E-01   -.372E-02 0.211E-02 -.933E-03
   -.245E+01 0.141E+01 0.130E+02   0.264E+01 -.152E+01 -.129E+02   0.960E-01 -.554E-01 -.297E-01   -.993E-03 0.571E-03 -.470E-03
   -.240E+01 0.129E+02 0.166E+02   0.263E+01 -.130E+02 -.165E+02   0.106E+00 -.476E-01 -.502E-01   -.262E-02 0.220E-03 -.677E-03
   0.589E+01 0.309E+02 0.404E+02   -.583E+01 -.312E+02 -.403E+02   0.308E+00 0.121E+00 -.702E-01   -.324E-02 0.151E-02 -.129E-02
   0.357E+02 0.852E+01 0.466E+02   -.360E+02 -.893E+01 -.469E+02   0.658E+00 0.211E+00 0.294E+00   0.213E-02 -.132E-02 -.250E-02
   0.179E+02 -.103E+02 0.226E+02   -.177E+02 0.102E+02 -.226E+02   0.164E+00 -.950E-01 -.349E-01   -.202E-02 0.116E-02 -.213E-02
   0.304E+01 -.127E+01 0.141E+02   -.284E+01 0.117E+01 -.141E+02   0.103E+00 -.668E-01 -.324E-01   -.369E-02 0.216E-02 -.937E-03
   -.427E+01 0.428E+01 0.154E+02   0.449E+01 -.440E+01 -.154E+02   0.912E-01 -.444E-01 -.106E-01   -.110E-02 0.677E-03 -.995E-03
   -.174E+02 0.221E+02 0.259E+02   0.179E+02 -.224E+02 -.258E+02   -.114E+00 0.105E+00 -.469E-01   -.427E-02 -.231E-03 -.203E-02
   -.243E+02 0.140E+02 0.914E+02   0.252E+02 -.145E+02 -.934E+02   -.527E+00 0.304E+00 0.202E+01   -.391E-02 0.226E-02 -.379E-02
   0.105E+02 -.352E+02 0.466E+02   -.103E+02 0.357E+02 -.469E+02   0.146E+00 -.675E+00 0.294E+00   0.221E-02 -.119E-02 -.250E-02
   0.468E+01 -.129E+02 0.178E+02   -.447E+01 0.128E+02 -.177E+02   0.115E+00 -.130E+00 -.386E-01   0.227E-03 0.278E-02 -.123E-02
   -.174E+01 -.320E+01 0.138E+02   0.193E+01 0.308E+01 -.138E+02   0.999E-01 -.545E-01 -.426E-02   -.804E-03 0.103E-02 -.604E-03
   -.104E+02 0.598E+01 0.156E+02   0.106E+02 -.613E+01 -.156E+02   0.704E-01 -.407E-01 -.195E-01   0.160E-02 -.916E-03 -.132E-02
   -.278E+02 0.405E+01 0.259E+02   0.283E+02 -.429E+01 -.258E+02   -.148E+00 0.464E-01 -.469E-01   -.193E-02 0.382E-02 -.203E-02
   -.238E+02 -.205E+02 0.404E+02   0.241E+02 0.207E+02 -.403E+02   0.490E-01 -.327E+00 -.702E-01   -.293E-02 0.205E-02 -.129E-02
   -.360E+01 -.179E+02 0.224E+02   0.381E+01 0.179E+02 -.224E+02   0.113E+00 -.168E+00 -.454E-01   -.953E-03 0.351E-03 -.495E-03
   0.968E+00 -.559E+00 0.136E+02   -.784E+00 0.452E+00 -.135E+02   0.935E-01 -.540E-01 -.357E-01   -.174E-02 0.101E-02 -.215E-03
   0.190E+01 0.311E+01 0.138E+02   -.170E+01 -.321E+01 -.138E+02   0.972E-01 -.592E-01 -.426E-02   -.129E-02 0.189E-03 -.601E-03
   -.584E+01 0.156E+01 0.154E+02   0.605E+01 -.169E+01 -.154E+02   0.841E-01 -.568E-01 -.106E-01   -.113E-02 0.616E-03 -.988E-03
   -.124E+02 -.435E+01 0.166E+02   0.126E+02 0.423E+01 -.165E+02   0.940E-01 -.677E-01 -.502E-01   -.150E-02 0.216E-02 -.673E-03
   -.721E+01 -.618E+01 0.164E+02   0.740E+01 0.608E+01 -.164E+02   0.995E-01 -.749E-01 -.357E-01   -.178E-02 0.227E-03 -.148E-03
 -----------------------------------------------------------------------------------------------
   -.145E-02 0.678E-04 0.102E+02   -.870E-13 0.657E-13 0.316E-12   0.583E-15 -.416E-16 -.102E+02   0.247E-07 0.778E-08 -.433E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85709      6.06465     12.33823         0.000000      0.000000     -0.080562
      1.08409      6.51094     13.59851        -0.021852      0.012616      0.032443
      2.63008      5.61837     13.59851         0.021852     -0.012616      0.032443
      0.00231     -0.00133      9.97809        -0.276545      0.159663     -0.010848
     -1.22969      2.13571      9.97828        -0.289376      0.171646     -0.004434
     -2.46174      4.27533      9.98397        -0.327661      0.187612      0.002777
     -3.69339      6.41414      9.98124        -0.295879      0.189835      0.005317
     -4.92468      8.55284      9.97893        -0.295260      0.164452      0.003239
      2.47044      0.00096      9.97893        -0.290050      0.173477      0.003239
      1.23811      2.13763      9.98248        -0.323999      0.199750     -0.001287
      0.00470      4.27193      9.99606        -0.362757      0.208552     -0.003084
     -1.22885      6.41730     10.00794        -0.334186      0.185887     -0.012432
     -2.45677      8.55526      9.98532        -0.329252      0.190094     -0.004263
      4.93826      0.00398      9.98124        -0.312342      0.161321      0.005317
      3.70735      2.14027      9.98979        -0.321904      0.176336      0.006213
      2.47602      4.27189     10.02916        -0.344844      0.200221      0.002507
      1.23720      6.42255     10.03879        -0.303612      0.175290      0.009159
      0.00872      8.56083     10.00794        -0.328075      0.196470     -0.012432
      7.40634      0.00675      9.98397        -0.326307      0.189957      0.002777
      6.17431      2.14466      9.98094        -0.298220      0.167641      0.009063
      4.94371      4.28259      9.99948        -0.328707      0.189779      0.002973
      3.71913      6.42502     10.02916        -0.345819      0.198533      0.002507
      2.48344      8.56523      9.99606        -0.361990      0.209881     -0.003084
      9.87533      0.00957      9.97828        -0.293338      0.164784     -0.004434
      8.64237      2.14717      9.97809        -0.283470      0.163661     -0.004939
      7.41052      4.28583      9.98094        -0.294292      0.174446      0.009063
      6.18083      6.42447      9.98979        -0.313664      0.190609      0.006213
      4.94850      8.56422      9.98248        -0.334988      0.180716     -0.001287
     -0.00209      1.42696      9.97828         0.293338     -0.164784     -0.004434
     -1.23433      3.56509      9.98248         0.334988     -0.180716     -0.001287
     -2.46666      5.70483      9.98979         0.313664     -0.190609      0.006213
     -3.69634      7.84348      9.98094         0.294292     -0.174446      0.009063
     -4.92820      9.98214      9.97809         0.283470     -0.163661     -0.004939
      2.46690      1.42977      9.98397         0.326307     -0.189957      0.002777
      1.23074      3.56408      9.99606         0.361990     -0.209881     -0.003084
     -0.00496      5.70429     10.02916         0.345819     -0.198533      0.002507
     -1.22953      7.84671      9.99948         0.328707     -0.189779      0.002973
     -2.46014      9.98465      9.98094         0.298220     -0.167641      0.009063
      4.93499      1.43255      9.98124         0.312342     -0.161321      0.005317
      3.70546      3.56848     10.00794         0.328075     -0.196470     -0.012432
      2.47698      5.70676     10.03879         0.303612     -0.175290      0.009159
      1.23815      7.85741     10.02916         0.344844     -0.200221      0.002507
      0.00683      9.98904      9.98979         0.321904     -0.176336      0.006213
      7.40281      1.43556      9.97893         0.290050     -0.173477      0.003239
      6.17095      3.57405      9.98532         0.329252     -0.190094     -0.004263
      4.94303      5.71201     10.00794         0.334186     -0.185887     -0.012432
      3.70948      7.85738      9.99606         0.362757     -0.208552     -0.003084
      2.47607      9.99168      9.98248         0.323999     -0.199750     -0.001287
      9.87093      1.43786      9.97809         0.276545     -0.159663     -0.010848
      8.63886      3.57647      9.97893         0.295260     -0.164452      0.003239
      7.40756      5.71517      9.98124         0.295879     -0.189835      0.005317
      6.17592      7.85398      9.98397         0.327661     -0.187612      0.002777
      4.94386      9.99360      9.97828         0.289376     -0.171646     -0.004434
 -----------------------------------------------------------------------------------
    total drift:                               -0.001452      0.000068     -0.002261


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


 Steepest descent step on ions:
 trial-energy change:    0.031030  1 .order    0.031382   -0.021734    0.084497
  (g-gl).g = 0.217E-01      g.g   = 0.217E-01  gl.gl    = 0.000E+00
 g(Force)  = 0.152E-01   g(Stress)= 0.653E-02 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.20459  (harmonic =   0.20459) maximal distance =0.00084118
 next E    =  -471.726086   (d E  =  -0.00222)


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


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  181.73: CPU time   91.02
     LOOP+:  VPU time11329.08: CPU time 5840.56


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


    POTLOK:  VPU time    9.12: CPU time    8.99
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1801.36: CPU time  928.87
 BZINTS: Fermi energy: -3.193451;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.89: CPU time   56.96
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1923.93: CPU time  995.34

 eigenvalue-minimisations  :  6024
 total energy-change (2. order) :-0.4717302E+03  (-0.1832452E+00)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9533698 magnetization    0.0000002

 Broyden mixing:
  rms(total) = 0.45769E-01    rms(broyden)= 0.45743E-01
  rms(prec ) = 0.49025E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34027.77341102
  -1/2 Hartree   DENC   =    -40921.79801557
  -V(xc)+E(xc)   XCENC  =       726.53143158
  PAW double counting   =      4093.84511021    -4132.17782855
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2471.34411784
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.73015556 eV

  energy without entropy =     -471.73015556  energy(sigma->0) =     -471.73015556


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




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


    POTLOK:  VPU time    9.00: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1870.10: CPU time  964.43
 BZINTS: Fermi energy: -3.190722;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.57: CPU time   57.36
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1993.23: CPU time 1031.32

 eigenvalue-minimisations  :  6344
 total energy-change (2. order) : 0.8084923E-03  (-0.5226724E-02)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9538833 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.32368E-01    rms(broyden)= 0.32366E-01
  rms(prec ) = 0.34449E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4400
  2.4400

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34027.77341102
  -1/2 Hartree   DENC   =    -40920.75176906
  -V(xc)+E(xc)   XCENC  =       726.49127889
  PAW double counting   =      4092.33383115    -4130.65566316
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2472.36028950
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72934707 eV

  energy without entropy =     -471.72934707  energy(sigma->0) =     -471.72934707


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




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


    POTLOK:  VPU time    8.94: CPU time    8.93
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1804.57: CPU time  930.17
 BZINTS: Fermi energy: -3.207660;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.67: CPU time   57.44
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1927.74: CPU time  997.08

 eigenvalue-minimisations  :  6040
 total energy-change (2. order) : 0.3223159E-02  (-0.1155548E-02)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9545731 magnetization    0.0000006

 Broyden mixing:
  rms(total) = 0.55877E-02    rms(broyden)= 0.55857E-02
  rms(prec ) = 0.60771E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5735
  2.0197  1.1273

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34027.77341102
  -1/2 Hartree   DENC   =    -40918.93719668
  -V(xc)+E(xc)   XCENC  =       726.42644149
  PAW double counting   =      4090.08264042    -4128.38927873
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.12199502
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72612391 eV

  energy without entropy =     -471.72612391  energy(sigma->0) =     -471.72612391


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




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


    POTLOK:  VPU time    8.47: CPU time    8.47
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1889.75: CPU time  977.15
 BZINTS: Fermi energy: -3.207426;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.30: CPU time   57.35
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2012.08: CPU time 1043.49

 eigenvalue-minimisations  :  6432
 total energy-change (2. order) :-0.1434698E-04  (-0.1707406E-03)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9551435 magnetization   -0.0000004

 Broyden mixing:
  rms(total) = 0.19820E-02    rms(broyden)= 0.19819E-02
  rms(prec ) = 0.21054E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6661
  1.3523  1.3523  2.2938

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34027.77341102
  -1/2 Hartree   DENC   =    -40919.08896174
  -V(xc)+E(xc)   XCENC  =       726.43570649
  PAW double counting   =      4090.48984810    -4128.80086126
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2473.97513446
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72613826 eV

  energy without entropy =     -471.72613826  energy(sigma->0) =     -471.72613826


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




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


    POTLOK:  VPU time    9.05: CPU time    9.05
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1334.13: CPU time  691.47
 BZINTS: Fermi energy: -3.204340;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1343.57: CPU time  700.89

 eigenvalue-minimisations  :  3928
 total energy-change (2. order) : 0.7280683E-05  (-0.3744936E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9551435 magnetization   -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34027.77341102
  -1/2 Hartree   DENC   =    -40918.92287242
  -V(xc)+E(xc)   XCENC  =       726.43384308
  PAW double counting   =      4090.54252793    -4128.85553722
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.13735695
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72613097 eV

  energy without entropy =     -471.72613097  energy(sigma->0) =     -471.72613097


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2067       2 -39.5376       3 -39.5376       4 -58.3165       5 -58.3201
       6 -58.3230       7 -58.3176       8 -58.3183       9 -58.3183      10 -58.3241
      11 -58.3903      12 -58.3538      13 -58.3257      14 -58.3176      15 -58.3275
      16 -58.5432      17 -58.7307      18 -58.3538      19 -58.3230      20 -58.3233
      21 -58.3601      22 -58.5432      23 -58.3904      24 -58.3201      25 -58.3259
      26 -58.3233      27 -58.3275      28 -58.3241      29 -58.3200      30 -58.3240
      31 -58.3274      32 -58.3232      33 -58.3258      34 -58.3229      35 -58.3902
      36 -58.5432      37 -58.3600      38 -58.3232      39 -58.3174      40 -58.3537
      41 -58.7306      42 -58.5432      43 -58.3274      44 -58.3182      45 -58.3255
      46 -58.3537      47 -58.3903      48 -58.3240      49 -58.3164      50 -58.3182
      51 -58.3175      52 -58.3230      53 -58.3200
 
 
 
 E-fermi :  -3.2043     XC(G=0):  -2.3518     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     -22.4197      1.00000
      2     -21.5970      1.00000
      3     -21.4756      1.00000
      4     -21.4669      1.00000
      5     -21.4340      1.00000
      6     -21.4336      1.00000
      7     -21.4234      1.00000
      8     -19.7016      1.00000
      9     -19.6480      1.00000
     10     -19.6239      1.00000
     11     -19.6142      1.00000
     12     -19.6070      1.00000
     13     -19.6069      1.00000
     14     -18.7837      1.00000
     15     -18.7509      1.00000
     16     -18.7290      1.00000
     17     -18.7203      1.00000
     18     -18.7153      1.00000
     19     -18.7082      1.00000
     20     -16.6310      1.00000
     21     -16.6087      1.00000
     22     -16.5839      1.00000
     23     -16.5772      1.00000
     24     -16.5523      1.00000
     25     -16.5483      1.00000
     26     -15.6110      1.00000
     27     -15.5970      1.00000
     28     -15.5943      1.00000
     29     -15.5590      1.00000
     30     -15.5588      1.00000
     31     -15.5583      1.00000
     32     -14.2578      1.00000
     33     -14.2475      1.00000
     34     -14.2363      1.00000
     35     -14.2302      1.00000
     36     -14.2192      1.00000
     37     -14.2179      1.00000
     38     -11.9046      1.00000
     39     -11.8783      1.00000
     40     -11.8666      1.00000
     41     -11.8634      1.00000
     42     -11.8441      1.00000
     43     -11.8431      1.00000
     44     -11.7699      1.00000
     45     -11.7639      1.00000
     46     -11.7336      1.00000
     47     -11.7254      1.00000
     48     -11.7205      1.00000
     49     -11.7170      1.00000
     50     -10.6687      1.00000
     51     -10.3851      1.00000
     52     -10.3800      1.00000
     53     -10.3727      1.00000
     54     -10.3670      1.00000
     55     -10.3521      1.00000
     56     -10.3507      1.00000
     57      -9.8975      1.00000
     58      -9.4443      1.00000
     59      -9.4010      1.00000
     60      -9.3572      1.00000
     61      -9.3565      1.00000
     62      -9.3490      1.00000
     63      -9.1442      1.00000
     64      -9.1220      1.00000
     65      -9.1144      1.00000
     66      -9.0819      1.00000
     67      -9.0735      1.00000
     68      -9.0729      1.00000
     69      -9.0716      1.00000
     70      -9.0641      1.00000
     71      -9.0561      1.00000
     72      -9.0347      1.00000
     73      -9.0293      1.00000
     74      -9.0256      1.00000
     75      -8.1332      1.00000
     76      -7.7304      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4513      1.00000
     80      -7.4320      1.00000
     81      -7.4270      1.00000
     82      -7.4057      1.00000
     83      -7.3085      1.00000
     84      -7.2675      1.00000
     85      -7.2532      1.00000
     86      -7.2457      1.00000
     87      -7.1536      1.00000
     88      -7.0428      1.00000
     89      -6.4439      1.00000
     90      -6.4115      1.00000
     91      -6.3969      1.00000
     92      -6.3624      1.00000
     93      -6.3508      1.00000
     94      -6.3382      1.00000
     95      -5.9641      1.00000
     96      -5.9543      1.00000
     97      -4.7959      1.00000
     98      -4.5400      1.00000
     99      -4.4811      1.00000
    100      -4.4694      1.00000
    101      -4.3823      1.00000
    102      -4.3801      1.00000
    103      -4.2647      1.00000
    104      -4.1834      1.00000
    105      -3.7334      1.00000
    106      -3.4695      1.00000
    107      -1.8598      0.00000
    108      -1.6750      0.00000
    109      -1.6254      0.00000
    110      -1.5919      0.00000
    111      -1.5788      0.00000
    112      -1.5770      0.00000
    113      -0.4289      0.00000
    114       0.1378      0.00000
    115       0.1915      0.00000
    116       0.2542      0.00000
    117       0.2619      0.00000
    118       0.2693      0.00000
    119       0.4723      0.00000
    120       0.5604      0.00000
    121       1.2524      0.00000
    122       1.2922      0.00000
    123       1.5390      0.00000
    124       1.7655      0.00000
    125       1.7841      0.00000
    126       1.7866      0.00000
    127       1.7878      0.00000
    128       1.8322      0.00000
    129       1.9541      0.00000
    130       1.9679      0.00000
    131       1.9687      0.00000
    132       1.9843      0.00000
    133       1.9910      0.00000
    134       2.0855      0.00000
    135       2.2661      0.00000
    136       2.3330      0.00000
    137       2.6290      0.00000
    138       2.6320      0.00000
    139       2.6627      0.00000
    140       2.6956      0.00000
    141       2.9390      0.00000
    142       3.0246      0.00000
    143       3.0262      0.00000
    144       3.0409      0.00000
    145       3.0410      0.00000
    146       3.0471      0.00000
    147       3.1067      0.00000
    148       3.2712      0.00000
    149       3.4340      0.00000
    150       3.5064      0.00000
    151       3.8034      0.00000
    152       3.9177      0.00000
    153       3.9179      0.00000
    154       3.9204      0.00000
    155       3.9429      0.00000
    156       3.9962      0.00000
    157       4.1935      0.00000
    158       4.2694      0.00000
    159       4.2814      0.00000
    160       4.2901      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3831      1.00000
      2     -21.8241      1.00000
      3     -21.6321      1.00000
      4     -21.6042      1.00000
      5     -21.2689      1.00000
      6     -21.2290      1.00000
      7     -21.0505      1.00000
      8     -20.1622      1.00000
      9     -20.1236      1.00000
     10     -19.6040      1.00000
     11     -19.5932      1.00000
     12     -19.4114      1.00000
     13     -19.0841      1.00000
     14     -19.0566      1.00000
     15     -19.0439      1.00000
     16     -19.0361      1.00000
     17     -18.3566      1.00000
     18     -18.3483      1.00000
     19     -18.0138      1.00000
     20     -17.0652      1.00000
     21     -17.0261      1.00000
     22     -16.9400      1.00000
     23     -16.9379      1.00000
     24     -16.4652      1.00000
     25     -16.4629      1.00000
     26     -15.6113      1.00000
     27     -15.6031      1.00000
     28     -15.2497      1.00000
     29     -15.2389      1.00000
     30     -15.1797      1.00000
     31     -15.0936      1.00000
     32     -15.0664      1.00000
     33     -14.6974      1.00000
     34     -14.6925      1.00000
     35     -13.7260      1.00000
     36     -13.7200      1.00000
     37     -13.2313      1.00000
     38     -12.6121      1.00000
     39     -12.5818      1.00000
     40     -12.4504      1.00000
     41     -12.4443      1.00000
     42     -12.1084      1.00000
     43     -12.1027      1.00000
     44     -11.7161      1.00000
     45     -11.6853      1.00000
     46     -11.2358      1.00000
     47     -11.2243      1.00000
     48     -11.0149      1.00000
     49     -11.0040      1.00000
     50     -10.9243      1.00000
     51     -10.9032      1.00000
     52     -10.6233      1.00000
     53     -10.1518      1.00000
     54     -10.1472      1.00000
     55     -10.0882      1.00000
     56      -9.9926      1.00000
     57      -9.7010      1.00000
     58      -9.6897      1.00000
     59      -9.6519      1.00000
     60      -9.5878      1.00000
     61      -9.5793      1.00000
     62      -9.5555      1.00000
     63      -9.3061      1.00000
     64      -9.2971      1.00000
     65      -9.2707      1.00000
     66      -9.2370      1.00000
     67      -9.1314      1.00000
     68      -9.1128      1.00000
     69      -9.1067      1.00000
     70      -8.9348      1.00000
     71      -8.8735      1.00000
     72      -8.6062      1.00000
     73      -8.5910      1.00000
     74      -8.2358      1.00000
     75      -8.0981      1.00000
     76      -7.9057      1.00000
     77      -7.8655      1.00000
     78      -7.7701      1.00000
     79      -7.7544      1.00000
     80      -7.6918      1.00000
     81      -7.5509      1.00000
     82      -7.3376      1.00000
     83      -7.3206      1.00000
     84      -7.2026      1.00000
     85      -7.1188      1.00000
     86      -7.0291      1.00000
     87      -7.0151      1.00000
     88      -6.7012      1.00000
     89      -6.6765      1.00000
     90      -6.6379      1.00000
     91      -6.5950      1.00000
     92      -6.1144      1.00000
     93      -6.0610      1.00000
     94      -6.0320      1.00000
     95      -6.0105      1.00000
     96      -5.7801      1.00000
     97      -4.9673      1.00000
     98      -4.8307      1.00000
     99      -4.7448      1.00000
    100      -4.6768      1.00000
    101      -4.4613      1.00000
    102      -4.1982      1.00000
    103      -4.1706      1.00000
    104      -4.1266      1.00000
    105      -3.7241      1.00000
    106      -3.4795      1.00000
    107      -1.8700      0.00000
    108      -1.8121      0.00000
    109      -1.5239      0.00000
    110      -1.3809      0.00000
    111      -1.3235      0.00000
    112      -1.2896      0.00000
    113      -0.7198      0.00000
    114      -0.3773      0.00000
    115      -0.2554      0.00000
    116       0.0331      0.00000
    117       0.5629      0.00000
    118       0.6952      0.00000
    119       0.7449      0.00000
    120       1.0462      0.00000
    121       1.0959      0.00000
    122       1.1521      0.00000
    123       1.2262      0.00000
    124       1.3844      0.00000
    125       1.5287      0.00000
    126       1.5943      0.00000
    127       1.7202      0.00000
    128       1.7942      0.00000
    129       1.8522      0.00000
    130       1.8797      0.00000
    131       2.0965      0.00000
    132       2.2011      0.00000
    133       2.2468      0.00000
    134       2.3162      0.00000
    135       2.5192      0.00000
    136       2.5985      0.00000
    137       2.6018      0.00000
    138       2.7660      0.00000
    139       2.7857      0.00000
    140       2.8178      0.00000
    141       2.8190      0.00000
    142       2.8940      0.00000
    143       2.9329      0.00000
    144       3.0977      0.00000
    145       3.1604      0.00000
    146       3.3092      0.00000
    147       3.3410      0.00000
    148       3.3961      0.00000
    149       3.4524      0.00000
    150       3.5885      0.00000
    151       3.6271      0.00000
    152       3.6423      0.00000
    153       3.6968      0.00000
    154       3.9006      0.00000
    155       3.9617      0.00000
    156       4.0193      0.00000
    157       4.0707      0.00000
    158       4.2164      0.00000
    159       4.2395      0.00000
    160       4.2810      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2772      1.00000
      2     -22.0714      1.00000
      3     -21.7106      1.00000
      4     -21.6786      1.00000
      5     -20.9737      1.00000
      6     -20.9327      1.00000
      7     -20.6060      1.00000
      8     -20.5694      1.00000
      9     -20.5629      1.00000
     10     -20.0266      1.00000
     11     -19.4990      1.00000
     12     -19.4875      1.00000
     13     -19.3023      1.00000
     14     -19.2971      1.00000
     15     -18.4429      1.00000
     16     -18.4056      1.00000
     17     -17.9180      1.00000
     18     -17.9096      1.00000
     19     -17.7572      1.00000
     20     -17.7208      1.00000
     21     -17.4320      1.00000
     22     -17.4256      1.00000
     23     -17.3363      1.00000
     24     -16.4609      1.00000
     25     -16.4605      1.00000
     26     -15.9612      1.00000
     27     -15.4123      1.00000
     28     -15.4048      1.00000
     29     -15.0952      1.00000
     30     -15.0891      1.00000
     31     -14.8523      1.00000
     32     -14.8441      1.00000
     33     -14.2867      1.00000
     34     -14.2535      1.00000
     35     -13.4337      1.00000
     36     -13.4009      1.00000
     37     -13.1769      1.00000
     38     -13.1706      1.00000
     39     -12.9764      1.00000
     40     -12.9708      1.00000
     41     -12.6125      1.00000
     42     -12.6068      1.00000
     43     -12.1936      1.00000
     44     -11.5753      1.00000
     45     -11.5417      1.00000
     46     -11.3086      1.00000
     47     -11.2864      1.00000
     48     -11.1382      1.00000
     49     -10.6761      1.00000
     50     -10.6592      1.00000
     51     -10.5466      1.00000
     52     -10.3196      1.00000
     53     -10.3133      1.00000
     54     -10.1658      1.00000
     55     -10.1153      1.00000
     56     -10.1117      1.00000
     57      -9.7935      1.00000
     58      -9.7569      1.00000
     59      -9.7514      1.00000
     60      -9.7005      1.00000
     61      -9.6900      1.00000
     62      -9.6566      1.00000
     63      -9.3528      1.00000
     64      -9.3465      1.00000
     65      -9.3168      1.00000
     66      -9.0363      1.00000
     67      -8.9564      1.00000
     68      -8.9494      1.00000
     69      -8.7941      1.00000
     70      -8.5948      1.00000
     71      -8.5555      1.00000
     72      -8.3933      1.00000
     73      -8.3601      1.00000
     74      -8.3244      1.00000
     75      -8.3049      1.00000
     76      -8.2601      1.00000
     77      -8.2559      1.00000
     78      -8.2377      1.00000
     79      -7.9044      1.00000
     80      -7.6485      1.00000
     81      -7.5400      1.00000
     82      -7.3845      1.00000
     83      -7.3472      1.00000
     84      -7.2287      1.00000
     85      -7.0956      1.00000
     86      -7.0353      1.00000
     87      -6.9318      1.00000
     88      -6.8445      1.00000
     89      -6.6155      1.00000
     90      -6.5571      1.00000
     91      -6.2728      1.00000
     92      -6.0403      1.00000
     93      -5.9486      1.00000
     94      -5.6593      1.00000
     95      -5.6219      1.00000
     96      -5.4590      1.00000
     97      -5.3162      1.00000
     98      -5.2771      1.00000
     99      -5.2107      1.00000
    100      -5.1936      1.00000
    101      -4.4988      1.00000
    102      -4.2017      1.00000
    103      -4.0553      1.00000
    104      -3.9888      1.00000
    105      -3.6902      1.00000
    106      -3.4897      1.00000
    107      -1.9467      0.00000
    108      -1.8990      0.00000
    109      -1.3363      0.00000
    110      -1.0865      0.00000
    111      -1.0621      0.00000
    112      -0.8019      0.00000
    113      -0.6828      0.00000
    114      -0.6482      0.00000
    115      -0.6094      0.00000
    116      -0.1113      0.00000
    117       0.2125      0.00000
    118       0.3249      0.00000
    119       0.7044      0.00000
    120       0.8929      0.00000
    121       1.1235      0.00000
    122       1.1965      0.00000
    123       1.3326      0.00000
    124       1.4294      0.00000
    125       1.5534      0.00000
    126       1.5745      0.00000
    127       1.6932      0.00000
    128       1.8067      0.00000
    129       1.8835      0.00000
    130       2.0526      0.00000
    131       2.0969      0.00000
    132       2.3003      0.00000
    133       2.3507      0.00000
    134       2.4122      0.00000
    135       2.5566      0.00000
    136       2.6344      0.00000
    137       2.7146      0.00000
    138       2.7370      0.00000
    139       2.7851      0.00000
    140       2.8716      0.00000
    141       3.0291      0.00000
    142       3.0635      0.00000
    143       3.1735      0.00000
    144       3.2677      0.00000
    145       3.3660      0.00000
    146       3.4174      0.00000
    147       3.4361      0.00000
    148       3.5470      0.00000
    149       3.5689      0.00000
    150       3.5896      0.00000
    151       3.6544      0.00000
    152       3.6793      0.00000
    153       3.7594      0.00000
    154       3.7680      0.00000
    155       3.8060      0.00000
    156       3.8927      0.00000
    157       3.9288      0.00000
    158       4.0009      0.00000
    159       4.2128      0.00000
    160       4.2283      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3111      1.00000
      2     -21.9566      1.00000
      3     -21.8871      1.00000
      4     -21.3751      1.00000
      5     -21.3462      1.00000
      6     -20.8334      1.00000
      7     -20.7679      1.00000
      8     -20.6177      1.00000
      9     -20.0730      1.00000
     10     -20.0676      1.00000
     11     -19.7110      1.00000
     12     -19.6868      1.00000
     13     -18.9920      1.00000
     14     -18.9864      1.00000
     15     -18.6375      1.00000
     16     -18.6222      1.00000
     17     -18.4557      1.00000
     18     -17.6698      1.00000
     19     -17.6198      1.00000
     20     -17.6166      1.00000
     21     -17.5740      1.00000
     22     -17.1241      1.00000
     23     -17.1026      1.00000
     24     -16.9622      1.00000
     25     -16.0021      1.00000
     26     -15.9260      1.00000
     27     -15.5806      1.00000
     28     -15.5804      1.00000
     29     -15.2837      1.00000
     30     -14.8607      1.00000
     31     -14.8339      1.00000
     32     -14.5743      1.00000
     33     -14.5318      1.00000
     34     -14.1692      1.00000
     35     -14.1548      1.00000
     36     -13.1474      1.00000
     37     -13.0937      1.00000
     38     -13.0239      1.00000
     39     -13.0147      1.00000
     40     -12.7043      1.00000
     41     -12.7004      1.00000
     42     -12.3397      1.00000
     43     -12.3075      1.00000
     44     -11.6374      1.00000
     45     -11.6245      1.00000
     46     -11.5699      1.00000
     47     -10.9492      1.00000
     48     -10.9157      1.00000
     49     -10.6266      1.00000
     50     -10.6213      1.00000
     51     -10.5431      1.00000
     52     -10.4997      1.00000
     53     -10.4989      1.00000
     54     -10.4378      1.00000
     55     -10.3520      1.00000
     56     -10.0934      1.00000
     57      -9.8980      1.00000
     58      -9.6009      1.00000
     59      -9.5475      1.00000
     60      -9.4508      1.00000
     61      -9.4130      1.00000
     62      -9.4023      1.00000
     63      -9.3717      1.00000
     64      -9.3707      1.00000
     65      -9.2826      1.00000
     66      -9.1711      1.00000
     67      -9.1466      1.00000
     68      -9.1149      1.00000
     69      -8.8656      1.00000
     70      -8.8590      1.00000
     71      -8.8115      1.00000
     72      -8.5918      1.00000
     73      -8.4757      1.00000
     74      -8.2002      1.00000
     75      -8.1649      1.00000
     76      -8.0092      1.00000
     77      -7.9554      1.00000
     78      -7.8454      1.00000
     79      -7.8351      1.00000
     80      -7.7042      1.00000
     81      -7.6942      1.00000
     82      -7.6218      1.00000
     83      -7.4417      1.00000
     84      -7.3020      1.00000
     85      -7.2445      1.00000
     86      -6.9075      1.00000
     87      -6.8949      1.00000
     88      -6.5869      1.00000
     89      -6.5481      1.00000
     90      -6.4027      1.00000
     91      -6.2530      1.00000
     92      -6.2313      1.00000
     93      -6.2099      1.00000
     94      -6.0190      1.00000
     95      -5.5464      1.00000
     96      -5.4854      1.00000
     97      -5.3457      1.00000
     98      -5.2166      1.00000
     99      -4.9797      1.00000
    100      -4.7276      1.00000
    101      -4.6757      1.00000
    102      -4.3825      1.00000
    103      -4.1970      1.00000
    104      -3.8641      1.00000
    105      -3.5463      1.00000
    106      -3.5010      1.00000
    107      -2.2583      0.00000
    108      -1.4543      0.00000
    109      -1.3756      0.00000
    110      -1.2444      0.00000
    111      -1.0975      0.00000
    112      -0.9455      0.00000
    113      -0.8650      0.00000
    114      -0.8056      0.00000
    115      -0.1431      0.00000
    116       0.1034      0.00000
    117       0.2356      0.00000
    118       0.3734      0.00000
    119       0.6634      0.00000
    120       0.8342      0.00000
    121       0.9340      0.00000
    122       1.0679      0.00000
    123       1.2460      0.00000
    124       1.4473      0.00000
    125       1.5674      0.00000
    126       1.7639      0.00000
    127       1.7883      0.00000
    128       1.8598      0.00000
    129       1.9888      0.00000
    130       2.0349      0.00000
    131       2.1805      0.00000
    132       2.1903      0.00000
    133       2.4108      0.00000
    134       2.4215      0.00000
    135       2.5025      0.00000
    136       2.5976      0.00000
    137       2.6291      0.00000
    138       2.7097      0.00000
    139       2.7598      0.00000
    140       2.8459      0.00000
    141       2.9615      0.00000
    142       3.0734      0.00000
    143       3.1686      0.00000
    144       3.2022      0.00000
    145       3.2358      0.00000
    146       3.2912      0.00000
    147       3.3194      0.00000
    148       3.4670      0.00000
    149       3.5156      0.00000
    150       3.6956      0.00000
    151       3.7239      0.00000
    152       3.7309      0.00000
    153       3.8651      0.00000
    154       3.8983      0.00000
    155       3.9370      0.00000
    156       3.9679      0.00000
    157       3.9833      0.00000
    158       4.0321      0.00000
    159       4.0344      0.00000
    160       4.0502      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2044      1.00000
      2     -22.1108      1.00000
      3     -21.9505      1.00000
      4     -21.3986      1.00000
      5     -21.0436      1.00000
      6     -21.0082      1.00000
      7     -20.4948      1.00000
      8     -20.4561      1.00000
      9     -20.2886      1.00000
     10     -20.2698      1.00000
     11     -19.9532      1.00000
     12     -19.8867      1.00000
     13     -18.8790      1.00000
     14     -18.8096      1.00000
     15     -18.3475      1.00000
     16     -18.3022      1.00000
     17     -18.1486      1.00000
     18     -18.1319      1.00000
     19     -17.8216      1.00000
     20     -17.7851      1.00000
     21     -17.2478      1.00000
     22     -17.2409      1.00000
     23     -17.1605      1.00000
     24     -17.1306      1.00000
     25     -16.1041      1.00000
     26     -15.8820      1.00000
     27     -15.8662      1.00000
     28     -15.8331      1.00000
     29     -15.2335      1.00000
     30     -14.5533      1.00000
     31     -14.5253      1.00000
     32     -14.2779      1.00000
     33     -13.9607      1.00000
     34     -13.9517      1.00000
     35     -13.8184      1.00000
     36     -13.8020      1.00000
     37     -13.6121      1.00000
     38     -13.5690      1.00000
     39     -13.3637      1.00000
     40     -12.6293      1.00000
     41     -12.1797      1.00000
     42     -12.1319      1.00000
     43     -12.0699      1.00000
     44     -12.0164      1.00000
     45     -11.6657      1.00000
     46     -11.6526      1.00000
     47     -11.1392      1.00000
     48     -11.1183      1.00000
     49     -10.7952      1.00000
     50     -10.7303      1.00000
     51     -10.5209      1.00000
     52     -10.2061      1.00000
     53     -10.2007      1.00000
     54     -10.1590      1.00000
     55     -10.0147      1.00000
     56      -9.9989      1.00000
     57      -9.9865      1.00000
     58      -9.8017      1.00000
     59      -9.7906      1.00000
     60      -9.7636      1.00000
     61      -9.7564      1.00000
     62      -9.4555      1.00000
     63      -9.4122      1.00000
     64      -9.0769      1.00000
     65      -9.0683      1.00000
     66      -9.0388      1.00000
     67      -8.9554      1.00000
     68      -8.8726      1.00000
     69      -8.7101      1.00000
     70      -8.6958      1.00000
     71      -8.5667      1.00000
     72      -8.5447      1.00000
     73      -8.4964      1.00000
     74      -8.4588      1.00000
     75      -8.4543      1.00000
     76      -8.2557      1.00000
     77      -8.1210      1.00000
     78      -8.0385      1.00000
     79      -7.9137      1.00000
     80      -7.8590      1.00000
     81      -7.6141      1.00000
     82      -7.5473      1.00000
     83      -7.4933      1.00000
     84      -7.2587      1.00000
     85      -6.9932      1.00000
     86      -6.9226      1.00000
     87      -6.8806      1.00000
     88      -6.5349      1.00000
     89      -6.4887      1.00000
     90      -6.4597      1.00000
     91      -6.4082      1.00000
     92      -5.9800      1.00000
     93      -5.8946      1.00000
     94      -5.7810      1.00000
     95      -5.7586      1.00000
     96      -5.4275      1.00000
     97      -5.3268      1.00000
     98      -5.2278      1.00000
     99      -5.2146      1.00000
    100      -5.1885      1.00000
    101      -4.6885      1.00000
    102      -4.4151      1.00000
    103      -4.2033      1.00000
    104      -3.8259      1.00000
    105      -3.5203      1.00000
    106      -3.2749      1.00000
    107      -2.5324      0.00000
    108      -1.4554      0.00000
    109      -1.2699      0.00000
    110      -1.2047      0.00000
    111      -1.1750      0.00000
    112      -0.7211      0.00000
    113      -0.5063      0.00000
    114      -0.4153      0.00000
    115      -0.3433      0.00000
    116      -0.1487      0.00000
    117      -0.0051      0.00000
    118       0.1898      0.00000
    119       0.5564      0.00000
    120       0.6096      0.00000
    121       0.8063      0.00000
    122       0.9145      0.00000
    123       1.1422      0.00000
    124       1.5038      0.00000
    125       1.6391      0.00000
    126       1.8684      0.00000
    127       1.9371      0.00000
    128       2.0946      0.00000
    129       2.1151      0.00000
    130       2.1273      0.00000
    131       2.1680      0.00000
    132       2.2751      0.00000
    133       2.3091      0.00000
    134       2.4564      0.00000
    135       2.5783      0.00000
    136       2.6632      0.00000
    137       2.8585      0.00000
    138       2.8683      0.00000
    139       2.9007      0.00000
    140       2.9798      0.00000
    141       3.0130      0.00000
    142       3.1427      0.00000
    143       3.1503      0.00000
    144       3.2135      0.00000
    145       3.2695      0.00000
    146       3.2851      0.00000
    147       3.3076      0.00000
    148       3.3530      0.00000
    149       3.4335      0.00000
    150       3.4516      0.00000
    151       3.5586      0.00000
    152       3.6147      0.00000
    153       3.6667      0.00000
    154       3.7101      0.00000
    155       3.7861      0.00000
    156       3.9034      0.00000
    157       3.9197      0.00000
    158       4.0078      0.00000
    159       4.1484      0.00000
    160       4.2309      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3110      1.00000
      2     -21.9582      1.00000
      3     -21.8856      1.00000
      4     -21.3780      1.00000
      5     -21.3422      1.00000
      6     -20.8342      1.00000
      7     -20.7673      1.00000
      8     -20.6198      1.00000
      9     -20.0835      1.00000
     10     -20.0553      1.00000
     11     -19.7132      1.00000
     12     -19.6849      1.00000
     13     -19.0047      1.00000
     14     -18.9741      1.00000
     15     -18.6438      1.00000
     16     -18.6121      1.00000
     17     -18.4573      1.00000
     18     -17.6572      1.00000
     19     -17.6451      1.00000
     20     -17.6077      1.00000
     21     -17.5748      1.00000
     22     -17.1330      1.00000
     23     -17.0940      1.00000
     24     -16.9614      1.00000
     25     -16.0046      1.00000
     26     -15.9173      1.00000
     27     -15.5953      1.00000
     28     -15.5715      1.00000
     29     -15.2771      1.00000
     30     -14.8731      1.00000
     31     -14.8265      1.00000
     32     -14.5740      1.00000
     33     -14.5350      1.00000
     34     -14.1596      1.00000
     35     -14.1547      1.00000
     36     -13.1603      1.00000
     37     -13.0932      1.00000
     38     -13.0223      1.00000
     39     -13.0170      1.00000
     40     -12.7170      1.00000
     41     -12.6935      1.00000
     42     -12.3366      1.00000
     43     -12.3075      1.00000
     44     -11.6279      1.00000
     45     -11.6192      1.00000
     46     -11.5657      1.00000
     47     -10.9381      1.00000
     48     -10.9177      1.00000
     49     -10.6642      1.00000
     50     -10.5909      1.00000
     51     -10.5694      1.00000
     52     -10.4949      1.00000
     53     -10.4858      1.00000
     54     -10.4391      1.00000
     55     -10.3567      1.00000
     56     -10.0976      1.00000
     57      -9.8923      1.00000
     58      -9.6104      1.00000
     59      -9.5515      1.00000
     60      -9.4495      1.00000
     61      -9.4121      1.00000
     62      -9.4077      1.00000
     63      -9.3807      1.00000
     64      -9.3720      1.00000
     65      -9.2623      1.00000
     66      -9.1625      1.00000
     67      -9.1389      1.00000
     68      -9.1130      1.00000
     69      -8.8647      1.00000
     70      -8.8540      1.00000
     71      -8.7984      1.00000
     72      -8.5919      1.00000
     73      -8.5217      1.00000
     74      -8.1916      1.00000
     75      -8.1672      1.00000
     76      -8.0749      1.00000
     77      -7.8592      1.00000
     78      -7.8376      1.00000
     79      -7.8191      1.00000
     80      -7.7115      1.00000
     81      -7.6963      1.00000
     82      -7.5973      1.00000
     83      -7.5218      1.00000
     84      -7.3481      1.00000
     85      -7.1625      1.00000
     86      -6.9049      1.00000
     87      -6.8942      1.00000
     88      -6.5895      1.00000
     89      -6.5494      1.00000
     90      -6.4089      1.00000
     91      -6.2985      1.00000
     92      -6.2445      1.00000
     93      -6.1996      1.00000
     94      -6.0018      1.00000
     95      -5.5282      1.00000
     96      -5.4653      1.00000
     97      -5.3118      1.00000
     98      -5.2086      1.00000
     99      -5.0426      1.00000
    100      -4.7188      1.00000
    101      -4.6697      1.00000
    102      -4.4171      1.00000
    103      -4.1894      1.00000
    104      -3.8351      1.00000
    105      -3.6298      1.00000
    106      -3.4120      1.00000
    107      -2.2933      0.00000
    108      -1.5078      0.00000
    109      -1.2722      0.00000
    110      -1.2653      0.00000
    111      -1.0348      0.00000
    112      -0.9829      0.00000
    113      -0.8704      0.00000
    114      -0.8028      0.00000
    115      -0.2632      0.00000
    116       0.2024      0.00000
    117       0.2366      0.00000
    118       0.3568      0.00000
    119       0.6990      0.00000
    120       0.8895      0.00000
    121       0.9211      0.00000
    122       1.0475      0.00000
    123       1.1729      0.00000
    124       1.5148      0.00000
    125       1.5751      0.00000
    126       1.7096      0.00000
    127       1.7752      0.00000
    128       1.8248      0.00000
    129       1.9514      0.00000
    130       2.0028      0.00000
    131       2.1681      0.00000
    132       2.2751      0.00000
    133       2.4082      0.00000
    134       2.4296      0.00000
    135       2.5027      0.00000
    136       2.5982      0.00000
    137       2.6149      0.00000
    138       2.7125      0.00000
    139       2.7398      0.00000
    140       2.8724      0.00000
    141       3.0457      0.00000
    142       3.0745      0.00000
    143       3.1692      0.00000
    144       3.2181      0.00000
    145       3.2316      0.00000
    146       3.2868      0.00000
    147       3.3291      0.00000
    148       3.4564      0.00000
    149       3.5343      0.00000
    150       3.6991      0.00000
    151       3.7150      0.00000
    152       3.7541      0.00000
    153       3.8338      0.00000
    154       3.8745      0.00000
    155       3.9297      0.00000
    156       3.9717      0.00000
    157       3.9843      0.00000
    158       4.0177      0.00000
    159       4.0278      0.00000
    160       4.0960      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3831      1.00000
      2     -21.8248      1.00000
      3     -21.6343      1.00000
      4     -21.6004      1.00000
      5     -21.2724      1.00000
      6     -21.2260      1.00000
      7     -21.0509      1.00000
      8     -20.1661      1.00000
      9     -20.1207      1.00000
     10     -19.6101      1.00000
     11     -19.5845      1.00000
     12     -19.4120      1.00000
     13     -19.0897      1.00000
     14     -19.0506      1.00000
     15     -19.0465      1.00000
     16     -19.0346      1.00000
     17     -18.3615      1.00000
     18     -18.3421      1.00000
     19     -18.0150      1.00000
     20     -17.0707      1.00000
     21     -17.0230      1.00000
     22     -16.9461      1.00000
     23     -16.9324      1.00000
     24     -16.4693      1.00000
     25     -16.4577      1.00000
     26     -15.6033      1.00000
     27     -15.6028      1.00000
     28     -15.2473      1.00000
     29     -15.2353      1.00000
     30     -15.1903      1.00000
     31     -15.0996      1.00000
     32     -15.0669      1.00000
     33     -14.6929      1.00000
     34     -14.6919      1.00000
     35     -13.7207      1.00000
     36     -13.7206      1.00000
     37     -13.2365      1.00000
     38     -12.6242      1.00000
     39     -12.5802      1.00000
     40     -12.4523      1.00000
     41     -12.4471      1.00000
     42     -12.1031      1.00000
     43     -12.0981      1.00000
     44     -11.7131      1.00000
     45     -11.6751      1.00000
     46     -11.2430      1.00000
     47     -11.2222      1.00000
     48     -11.0173      1.00000
     49     -11.0060      1.00000
     50     -10.9216      1.00000
     51     -10.8933      1.00000
     52     -10.6295      1.00000
     53     -10.1710      1.00000
     54     -10.1484      1.00000
     55     -10.0887      1.00000
     56      -9.9855      1.00000
     57      -9.6948      1.00000
     58      -9.6875      1.00000
     59      -9.6656      1.00000
     60      -9.5884      1.00000
     61      -9.5651      1.00000
     62      -9.5481      1.00000
     63      -9.3128      1.00000
     64      -9.3019      1.00000
     65      -9.2785      1.00000
     66      -9.2346      1.00000
     67      -9.1186      1.00000
     68      -9.1131      1.00000
     69      -9.1109      1.00000
     70      -8.9350      1.00000
     71      -8.8671      1.00000
     72      -8.6015      1.00000
     73      -8.5840      1.00000
     74      -8.2689      1.00000
     75      -8.1061      1.00000
     76      -7.8614      1.00000
     77      -7.8403      1.00000
     78      -7.7878      1.00000
     79      -7.7671      1.00000
     80      -7.7576      1.00000
     81      -7.4362      1.00000
     82      -7.3370      1.00000
     83      -7.3252      1.00000
     84      -7.2612      1.00000
     85      -7.1621      1.00000
     86      -7.0094      1.00000
     87      -6.9839      1.00000
     88      -6.7135      1.00000
     89      -6.6888      1.00000
     90      -6.6296      1.00000
     91      -6.5876      1.00000
     92      -6.1229      1.00000
     93      -6.0545      1.00000
     94      -6.0423      1.00000
     95      -6.0254      1.00000
     96      -5.7475      1.00000
     97      -4.9680      1.00000
     98      -4.8365      1.00000
     99      -4.7085      1.00000
    100      -4.6735      1.00000
    101      -4.4772      1.00000
    102      -4.3442      1.00000
    103      -4.1097      1.00000
    104      -4.0531      1.00000
    105      -3.7490      1.00000
    106      -3.4578      1.00000
    107      -1.9497      0.00000
    108      -1.7730      0.00000
    109      -1.4812      0.00000
    110      -1.3561      0.00000
    111      -1.3397      0.00000
    112      -1.2955      0.00000
    113      -0.6834      0.00000
    114      -0.4725      0.00000
    115      -0.2361      0.00000
    116       0.0484      0.00000
    117       0.5978      0.00000
    118       0.6911      0.00000
    119       0.7665      0.00000
    120       1.0162      0.00000
    121       1.0930      0.00000
    122       1.1734      0.00000
    123       1.2522      0.00000
    124       1.3392      0.00000
    125       1.4479      0.00000
    126       1.6071      0.00000
    127       1.7457      0.00000
    128       1.8453      0.00000
    129       1.8521      0.00000
    130       1.8924      0.00000
    131       2.0369      0.00000
    132       2.2252      0.00000
    133       2.2496      0.00000
    134       2.2997      0.00000
    135       2.4823      0.00000
    136       2.5862      0.00000
    137       2.6331      0.00000
    138       2.7669      0.00000
    139       2.7707      0.00000
    140       2.8267      0.00000
    141       2.8333      0.00000
    142       2.8427      0.00000
    143       2.9301      0.00000
    144       3.1033      0.00000
    145       3.3106      0.00000
    146       3.3359      0.00000
    147       3.3713      0.00000
    148       3.3984      0.00000
    149       3.4100      0.00000
    150       3.5646      0.00000
    151       3.6107      0.00000
    152       3.6585      0.00000
    153       3.7280      0.00000
    154       3.8933      0.00000
    155       3.9299      0.00000
    156       3.9469      0.00000
    157       4.1117      0.00000
    158       4.2000      0.00000
    159       4.2304      0.00000
    160       4.2798      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2036      1.00000
      2     -22.1124      1.00000
      3     -21.9498      1.00000
      4     -21.3979      1.00000
      5     -21.0402      1.00000
      6     -21.0122      1.00000
      7     -20.4902      1.00000
      8     -20.4607      1.00000
      9     -20.2814      1.00000
     10     -20.2796      1.00000
     11     -19.9505      1.00000
     12     -19.8870      1.00000
     13     -18.8772      1.00000
     14     -18.8093      1.00000
     15     -18.3349      1.00000
     16     -18.3161      1.00000
     17     -18.1446      1.00000
     18     -18.1370      1.00000
     19     -17.8129      1.00000
     20     -17.7952      1.00000
     21     -17.2538      1.00000
     22     -17.2344      1.00000
     23     -17.1608      1.00000
     24     -17.1293      1.00000
     25     -16.1128      1.00000
     26     -15.8742      1.00000
     27     -15.8633      1.00000
     28     -15.8352      1.00000
     29     -15.2309      1.00000
     30     -14.5449      1.00000
     31     -14.5268      1.00000
     32     -14.2752      1.00000
     33     -13.9753      1.00000
     34     -13.9509      1.00000
     35     -13.8242      1.00000
     36     -13.8011      1.00000
     37     -13.6007      1.00000
     38     -13.5758      1.00000
     39     -13.3649      1.00000
     40     -12.6352      1.00000
     41     -12.1655      1.00000
     42     -12.1393      1.00000
     43     -12.0618      1.00000
     44     -12.0141      1.00000
     45     -11.6674      1.00000
     46     -11.6628      1.00000
     47     -11.1322      1.00000
     48     -11.1216      1.00000
     49     -10.7827      1.00000
     50     -10.7258      1.00000
     51     -10.5280      1.00000
     52     -10.2094      1.00000
     53     -10.2032      1.00000
     54     -10.1649      1.00000
     55     -10.0209      1.00000
     56      -9.9897      1.00000
     57      -9.9894      1.00000
     58      -9.8062      1.00000
     59      -9.7971      1.00000
     60      -9.7639      1.00000
     61      -9.7555      1.00000
     62      -9.4456      1.00000
     63      -9.4114      1.00000
     64      -9.0840      1.00000
     65      -9.0462      1.00000
     66      -9.0222      1.00000
     67      -8.9663      1.00000
     68      -8.8932      1.00000
     69      -8.7099      1.00000
     70      -8.7009      1.00000
     71      -8.5527      1.00000
     72      -8.5423      1.00000
     73      -8.4754      1.00000
     74      -8.4588      1.00000
     75      -8.4551      1.00000
     76      -8.3019      1.00000
     77      -8.0903      1.00000
     78      -8.0869      1.00000
     79      -7.9281      1.00000
     80      -7.8306      1.00000
     81      -7.5957      1.00000
     82      -7.5336      1.00000
     83      -7.4486      1.00000
     84      -7.2999      1.00000
     85      -6.9980      1.00000
     86      -6.9244      1.00000
     87      -6.8855      1.00000
     88      -6.5243      1.00000
     89      -6.5110      1.00000
     90      -6.4776      1.00000
     91      -6.4167      1.00000
     92      -5.9247      1.00000
     93      -5.9037      1.00000
     94      -5.7870      1.00000
     95      -5.7720      1.00000
     96      -5.3676      1.00000
     97      -5.3603      1.00000
     98      -5.2204      1.00000
     99      -5.2138      1.00000
    100      -5.1961      1.00000
    101      -4.7149      1.00000
    102      -4.4342      1.00000
    103      -4.1856      1.00000
    104      -3.8119      1.00000
    105      -3.5573      1.00000
    106      -3.2211      1.00000
    107      -2.5638      0.00000
    108      -1.4608      0.00000
    109      -1.2725      0.00000
    110      -1.1873      0.00000
    111      -1.1841      0.00000
    112      -0.6464      0.00000
    113      -0.5559      0.00000
    114      -0.4167      0.00000
    115      -0.3485      0.00000
    116      -0.0816      0.00000
    117      -0.0692      0.00000
    118       0.1231      0.00000
    119       0.5902      0.00000
    120       0.6247      0.00000
    121       0.8636      0.00000
    122       0.9970      0.00000
    123       1.0100      0.00000
    124       1.4978      0.00000
    125       1.6893      0.00000
    126       1.7869      0.00000
    127       1.8724      0.00000
    128       2.0965      0.00000
    129       2.1221      0.00000
    130       2.1764      0.00000
    131       2.2076      0.00000
    132       2.2444      0.00000
    133       2.3274      0.00000
    134       2.4912      0.00000
    135       2.5040      0.00000
    136       2.6738      0.00000
    137       2.8451      0.00000
    138       2.8553      0.00000
    139       2.9579      0.00000
    140       2.9687      0.00000
    141       3.0273      0.00000
    142       3.1460      0.00000
    143       3.1566      0.00000
    144       3.2285      0.00000
    145       3.2490      0.00000
    146       3.2793      0.00000
    147       3.3103      0.00000
    148       3.3623      0.00000
    149       3.4272      0.00000
    150       3.5566      0.00000
    151       3.5716      0.00000
    152       3.6503      0.00000
    153       3.6514      0.00000
    154       3.6705      0.00000
    155       3.7076      0.00000
    156       3.9083      0.00000
    157       3.9412      0.00000
    158       4.0413      0.00000
    159       4.0927      0.00000
    160       4.1956      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2769      1.00000
      2     -22.0723      1.00000
      3     -21.7131      1.00000
      4     -21.6748      1.00000
      5     -20.9766      1.00000
      6     -20.9296      1.00000
      7     -20.6055      1.00000
      8     -20.5743      1.00000
      9     -20.5605      1.00000
     10     -20.0279      1.00000
     11     -19.5067      1.00000
     12     -19.4772      1.00000
     13     -19.3050      1.00000
     14     -19.2922      1.00000
     15     -18.4462      1.00000
     16     -18.4037      1.00000
     17     -17.9227      1.00000
     18     -17.9028      1.00000
     19     -17.7634      1.00000
     20     -17.7191      1.00000
     21     -17.4374      1.00000
     22     -17.4193      1.00000
     23     -17.3380      1.00000
     24     -16.4649      1.00000
     25     -16.4549      1.00000
     26     -15.9676      1.00000
     27     -15.4047      1.00000
     28     -15.4039      1.00000
     29     -15.0902      1.00000
     30     -15.0870      1.00000
     31     -14.8522      1.00000
     32     -14.8404      1.00000
     33     -14.2971      1.00000
     34     -14.2537      1.00000
     35     -13.4442      1.00000
     36     -13.4006      1.00000
     37     -13.1715      1.00000
     38     -13.1702      1.00000
     39     -12.9816      1.00000
     40     -12.9728      1.00000
     41     -12.6079      1.00000
     42     -12.6057      1.00000
     43     -12.1989      1.00000
     44     -11.5714      1.00000
     45     -11.5309      1.00000
     46     -11.3058      1.00000
     47     -11.2761      1.00000
     48     -11.1449      1.00000
     49     -10.6876      1.00000
     50     -10.6597      1.00000
     51     -10.5413      1.00000
     52     -10.3227      1.00000
     53     -10.3154      1.00000
     54     -10.1696      1.00000
     55     -10.1178      1.00000
     56     -10.1051      1.00000
     57      -9.8065      1.00000
     58      -9.7521      1.00000
     59      -9.7513      1.00000
     60      -9.7033      1.00000
     61      -9.6989      1.00000
     62      -9.6414      1.00000
     63      -9.3527      1.00000
     64      -9.3517      1.00000
     65      -9.3094      1.00000
     66      -9.0239      1.00000
     67      -8.9621      1.00000
     68      -8.9569      1.00000
     69      -8.7711      1.00000
     70      -8.5840      1.00000
     71      -8.5825      1.00000
     72      -8.4189      1.00000
     73      -8.3461      1.00000
     74      -8.3203      1.00000
     75      -8.3035      1.00000
     76      -8.2645      1.00000
     77      -8.2520      1.00000
     78      -8.2334      1.00000
     79      -7.9216      1.00000
     80      -7.7333      1.00000
     81      -7.3823      1.00000
     82      -7.3522      1.00000
     83      -7.3109      1.00000
     84      -7.2218      1.00000
     85      -7.1555      1.00000
     86      -7.0641      1.00000
     87      -6.9563      1.00000
     88      -6.9036      1.00000
     89      -6.6084      1.00000
     90      -6.5624      1.00000
     91      -6.2664      1.00000
     92      -5.9941      1.00000
     93      -5.9581      1.00000
     94      -5.6721      1.00000
     95      -5.6455      1.00000
     96      -5.3856      1.00000
     97      -5.3142      1.00000
     98      -5.2927      1.00000
     99      -5.2103      1.00000
    100      -5.1985      1.00000
    101      -4.5025      1.00000
    102      -4.3301      1.00000
    103      -3.9935      1.00000
    104      -3.8833      1.00000
    105      -3.7868      1.00000
    106      -3.4365      1.00000
    107      -2.0344      0.00000
    108      -1.8658      0.00000
    109      -1.2169      0.00000
    110      -1.1894      0.00000
    111      -1.0361      0.00000
    112      -0.7731      0.00000
    113      -0.6817      0.00000
    114      -0.6602      0.00000
    115      -0.6133      0.00000
    116      -0.1058      0.00000
    117       0.2183      0.00000
    118       0.2358      0.00000
    119       0.7801      0.00000
    120       0.9921      0.00000
    121       1.0755      0.00000
    122       1.2404      0.00000
    123       1.2517      0.00000
    124       1.3464      0.00000
    125       1.5788      0.00000
    126       1.5825      0.00000
    127       1.7169      0.00000
    128       1.7901      0.00000
    129       1.9587      0.00000
    130       1.9800      0.00000
    131       2.0440      0.00000
    132       2.2563      0.00000
    133       2.3367      0.00000
    134       2.4307      0.00000
    135       2.5461      0.00000
    136       2.6296      0.00000
    137       2.7234      0.00000
    138       2.7931      0.00000
    139       2.8540      0.00000
    140       2.8543      0.00000
    141       3.0250      0.00000
    142       3.1103      0.00000
    143       3.1669      0.00000
    144       3.2196      0.00000
    145       3.3714      0.00000
    146       3.4159      0.00000
    147       3.5002      0.00000
    148       3.5334      0.00000
    149       3.5884      0.00000
    150       3.5963      0.00000
    151       3.6499      0.00000
    152       3.7355      0.00000
    153       3.7477      0.00000
    154       3.7574      0.00000
    155       3.7715      0.00000
    156       3.8749      0.00000
    157       4.0282      0.00000
    158       4.0955      0.00000
    159       4.1728      0.00000
    160       4.2202      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4197      1.00000
      2     -21.5970      1.00000
      3     -21.4756      1.00000
      4     -21.4669      1.00000
      5     -21.4340      1.00000
      6     -21.4336      1.00000
      7     -21.4234      1.00000
      8     -19.7016      1.00000
      9     -19.6480      1.00000
     10     -19.6239      1.00000
     11     -19.6142      1.00000
     12     -19.6070      1.00000
     13     -19.6069      1.00000
     14     -18.7837      1.00000
     15     -18.7509      1.00000
     16     -18.7290      1.00000
     17     -18.7203      1.00000
     18     -18.7153      1.00000
     19     -18.7082      1.00000
     20     -16.6310      1.00000
     21     -16.6087      1.00000
     22     -16.5839      1.00000
     23     -16.5772      1.00000
     24     -16.5523      1.00000
     25     -16.5483      1.00000
     26     -15.6110      1.00000
     27     -15.5970      1.00000
     28     -15.5943      1.00000
     29     -15.5590      1.00000
     30     -15.5588      1.00000
     31     -15.5583      1.00000
     32     -14.2578      1.00000
     33     -14.2475      1.00000
     34     -14.2363      1.00000
     35     -14.2302      1.00000
     36     -14.2192      1.00000
     37     -14.2179      1.00000
     38     -11.9046      1.00000
     39     -11.8783      1.00000
     40     -11.8666      1.00000
     41     -11.8634      1.00000
     42     -11.8441      1.00000
     43     -11.8431      1.00000
     44     -11.7699      1.00000
     45     -11.7639      1.00000
     46     -11.7336      1.00000
     47     -11.7254      1.00000
     48     -11.7205      1.00000
     49     -11.7170      1.00000
     50     -10.6687      1.00000
     51     -10.3851      1.00000
     52     -10.3800      1.00000
     53     -10.3727      1.00000
     54     -10.3670      1.00000
     55     -10.3521      1.00000
     56     -10.3507      1.00000
     57      -9.8975      1.00000
     58      -9.4443      1.00000
     59      -9.4010      1.00000
     60      -9.3572      1.00000
     61      -9.3565      1.00000
     62      -9.3490      1.00000
     63      -9.1442      1.00000
     64      -9.1220      1.00000
     65      -9.1144      1.00000
     66      -9.0819      1.00000
     67      -9.0735      1.00000
     68      -9.0729      1.00000
     69      -9.0716      1.00000
     70      -9.0641      1.00000
     71      -9.0561      1.00000
     72      -9.0347      1.00000
     73      -9.0293      1.00000
     74      -9.0256      1.00000
     75      -8.1332      1.00000
     76      -7.7304      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4513      1.00000
     80      -7.4320      1.00000
     81      -7.4270      1.00000
     82      -7.4057      1.00000
     83      -7.3085      1.00000
     84      -7.2675      1.00000
     85      -7.2532      1.00000
     86      -7.2457      1.00000
     87      -7.1536      1.00000
     88      -7.0428      1.00000
     89      -6.4439      1.00000
     90      -6.4115      1.00000
     91      -6.3969      1.00000
     92      -6.3624      1.00000
     93      -6.3508      1.00000
     94      -6.3382      1.00000
     95      -5.9641      1.00000
     96      -5.9543      1.00000
     97      -4.7959      1.00000
     98      -4.5400      1.00000
     99      -4.4811      1.00000
    100      -4.4694      1.00000
    101      -4.3823      1.00000
    102      -4.3801      1.00000
    103      -4.2647      1.00000
    104      -4.1834      1.00000
    105      -3.7334      1.00000
    106      -3.4695      1.00000
    107      -1.8598      0.00000
    108      -1.6750      0.00000
    109      -1.6254      0.00000
    110      -1.5919      0.00000
    111      -1.5788      0.00000
    112      -1.5770      0.00000
    113      -0.4289      0.00000
    114       0.1378      0.00000
    115       0.1915      0.00000
    116       0.2542      0.00000
    117       0.2619      0.00000
    118       0.2693      0.00000
    119       0.4723      0.00000
    120       0.5604      0.00000
    121       1.2524      0.00000
    122       1.2922      0.00000
    123       1.5391      0.00000
    124       1.7656      0.00000
    125       1.7841      0.00000
    126       1.7866      0.00000
    127       1.7878      0.00000
    128       1.8322      0.00000
    129       1.9541      0.00000
    130       1.9679      0.00000
    131       1.9687      0.00000
    132       1.9843      0.00000
    133       1.9910      0.00000
    134       2.0855      0.00000
    135       2.2661      0.00000
    136       2.3331      0.00000
    137       2.6290      0.00000
    138       2.6320      0.00000
    139       2.6627      0.00000
    140       2.6957      0.00000
    141       2.9390      0.00000
    142       3.0247      0.00000
    143       3.0263      0.00000
    144       3.0411      0.00000
    145       3.0411      0.00000
    146       3.0472      0.00000
    147       3.1068      0.00000
    148       3.2713      0.00000
    149       3.4341      0.00000
    150       3.5064      0.00000
    151       3.8035      0.00000
    152       3.9179      0.00000
    153       3.9180      0.00000
    154       3.9205      0.00000
    155       3.9429      0.00000
    156       3.9962      0.00000
    157       4.1935      0.00000
    158       4.2694      0.00000
    159       4.2815      0.00000
    160       4.2901      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3831      1.00000
      2     -21.8241      1.00000
      3     -21.6321      1.00000
      4     -21.6042      1.00000
      5     -21.2689      1.00000
      6     -21.2290      1.00000
      7     -21.0505      1.00000
      8     -20.1622      1.00000
      9     -20.1236      1.00000
     10     -19.6040      1.00000
     11     -19.5932      1.00000
     12     -19.4114      1.00000
     13     -19.0841      1.00000
     14     -19.0566      1.00000
     15     -19.0439      1.00000
     16     -19.0361      1.00000
     17     -18.3566      1.00000
     18     -18.3483      1.00000
     19     -18.0138      1.00000
     20     -17.0652      1.00000
     21     -17.0261      1.00000
     22     -16.9400      1.00000
     23     -16.9379      1.00000
     24     -16.4652      1.00000
     25     -16.4629      1.00000
     26     -15.6113      1.00000
     27     -15.6031      1.00000
     28     -15.2497      1.00000
     29     -15.2389      1.00000
     30     -15.1797      1.00000
     31     -15.0936      1.00000
     32     -15.0664      1.00000
     33     -14.6974      1.00000
     34     -14.6925      1.00000
     35     -13.7260      1.00000
     36     -13.7200      1.00000
     37     -13.2313      1.00000
     38     -12.6121      1.00000
     39     -12.5818      1.00000
     40     -12.4504      1.00000
     41     -12.4443      1.00000
     42     -12.1084      1.00000
     43     -12.1027      1.00000
     44     -11.7161      1.00000
     45     -11.6853      1.00000
     46     -11.2358      1.00000
     47     -11.2243      1.00000
     48     -11.0149      1.00000
     49     -11.0040      1.00000
     50     -10.9243      1.00000
     51     -10.9032      1.00000
     52     -10.6232      1.00000
     53     -10.1518      1.00000
     54     -10.1472      1.00000
     55     -10.0882      1.00000
     56      -9.9926      1.00000
     57      -9.7010      1.00000
     58      -9.6897      1.00000
     59      -9.6519      1.00000
     60      -9.5878      1.00000
     61      -9.5793      1.00000
     62      -9.5555      1.00000
     63      -9.3061      1.00000
     64      -9.2971      1.00000
     65      -9.2707      1.00000
     66      -9.2370      1.00000
     67      -9.1314      1.00000
     68      -9.1128      1.00000
     69      -9.1067      1.00000
     70      -8.9348      1.00000
     71      -8.8735      1.00000
     72      -8.6062      1.00000
     73      -8.5910      1.00000
     74      -8.2358      1.00000
     75      -8.0981      1.00000
     76      -7.9057      1.00000
     77      -7.8655      1.00000
     78      -7.7701      1.00000
     79      -7.7544      1.00000
     80      -7.6918      1.00000
     81      -7.5509      1.00000
     82      -7.3376      1.00000
     83      -7.3206      1.00000
     84      -7.2026      1.00000
     85      -7.1188      1.00000
     86      -7.0291      1.00000
     87      -7.0151      1.00000
     88      -6.7012      1.00000
     89      -6.6765      1.00000
     90      -6.6379      1.00000
     91      -6.5950      1.00000
     92      -6.1144      1.00000
     93      -6.0610      1.00000
     94      -6.0320      1.00000
     95      -6.0105      1.00000
     96      -5.7801      1.00000
     97      -4.9673      1.00000
     98      -4.8307      1.00000
     99      -4.7448      1.00000
    100      -4.6768      1.00000
    101      -4.4613      1.00000
    102      -4.1982      1.00000
    103      -4.1706      1.00000
    104      -4.1266      1.00000
    105      -3.7241      1.00000
    106      -3.4795      1.00000
    107      -1.8700      0.00000
    108      -1.8121      0.00000
    109      -1.5239      0.00000
    110      -1.3809      0.00000
    111      -1.3235      0.00000
    112      -1.2896      0.00000
    113      -0.7198      0.00000
    114      -0.3773      0.00000
    115      -0.2554      0.00000
    116       0.0331      0.00000
    117       0.5629      0.00000
    118       0.6952      0.00000
    119       0.7449      0.00000
    120       1.0462      0.00000
    121       1.0959      0.00000
    122       1.1521      0.00000
    123       1.2262      0.00000
    124       1.3844      0.00000
    125       1.5287      0.00000
    126       1.5943      0.00000
    127       1.7202      0.00000
    128       1.7943      0.00000
    129       1.8522      0.00000
    130       1.8797      0.00000
    131       2.0965      0.00000
    132       2.2011      0.00000
    133       2.2468      0.00000
    134       2.3162      0.00000
    135       2.5192      0.00000
    136       2.5986      0.00000
    137       2.6018      0.00000
    138       2.7661      0.00000
    139       2.7858      0.00000
    140       2.8178      0.00000
    141       2.8191      0.00000
    142       2.8941      0.00000
    143       2.9330      0.00000
    144       3.0977      0.00000
    145       3.1604      0.00000
    146       3.3093      0.00000
    147       3.3411      0.00000
    148       3.3962      0.00000
    149       3.4525      0.00000
    150       3.5886      0.00000
    151       3.6272      0.00000
    152       3.6424      0.00000
    153       3.6968      0.00000
    154       3.9007      0.00000
    155       3.9617      0.00000
    156       4.0194      0.00000
    157       4.0707      0.00000
    158       4.2165      0.00000
    159       4.2395      0.00000
    160       4.2810      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2772      1.00000
      2     -22.0714      1.00000
      3     -21.7106      1.00000
      4     -21.6786      1.00000
      5     -20.9737      1.00000
      6     -20.9327      1.00000
      7     -20.6060      1.00000
      8     -20.5694      1.00000
      9     -20.5629      1.00000
     10     -20.0266      1.00000
     11     -19.4990      1.00000
     12     -19.4875      1.00000
     13     -19.3023      1.00000
     14     -19.2971      1.00000
     15     -18.4429      1.00000
     16     -18.4056      1.00000
     17     -17.9180      1.00000
     18     -17.9096      1.00000
     19     -17.7572      1.00000
     20     -17.7208      1.00000
     21     -17.4320      1.00000
     22     -17.4256      1.00000
     23     -17.3363      1.00000
     24     -16.4609      1.00000
     25     -16.4605      1.00000
     26     -15.9612      1.00000
     27     -15.4123      1.00000
     28     -15.4048      1.00000
     29     -15.0952      1.00000
     30     -15.0891      1.00000
     31     -14.8523      1.00000
     32     -14.8441      1.00000
     33     -14.2867      1.00000
     34     -14.2535      1.00000
     35     -13.4337      1.00000
     36     -13.4009      1.00000
     37     -13.1769      1.00000
     38     -13.1706      1.00000
     39     -12.9764      1.00000
     40     -12.9708      1.00000
     41     -12.6125      1.00000
     42     -12.6068      1.00000
     43     -12.1936      1.00000
     44     -11.5753      1.00000
     45     -11.5417      1.00000
     46     -11.3086      1.00000
     47     -11.2864      1.00000
     48     -11.1382      1.00000
     49     -10.6761      1.00000
     50     -10.6592      1.00000
     51     -10.5466      1.00000
     52     -10.3196      1.00000
     53     -10.3133      1.00000
     54     -10.1658      1.00000
     55     -10.1153      1.00000
     56     -10.1117      1.00000
     57      -9.7935      1.00000
     58      -9.7569      1.00000
     59      -9.7514      1.00000
     60      -9.7005      1.00000
     61      -9.6900      1.00000
     62      -9.6566      1.00000
     63      -9.3528      1.00000
     64      -9.3465      1.00000
     65      -9.3168      1.00000
     66      -9.0363      1.00000
     67      -8.9564      1.00000
     68      -8.9494      1.00000
     69      -8.7941      1.00000
     70      -8.5948      1.00000
     71      -8.5555      1.00000
     72      -8.3933      1.00000
     73      -8.3601      1.00000
     74      -8.3244      1.00000
     75      -8.3049      1.00000
     76      -8.2601      1.00000
     77      -8.2559      1.00000
     78      -8.2377      1.00000
     79      -7.9044      1.00000
     80      -7.6485      1.00000
     81      -7.5400      1.00000
     82      -7.3845      1.00000
     83      -7.3472      1.00000
     84      -7.2287      1.00000
     85      -7.0956      1.00000
     86      -7.0353      1.00000
     87      -6.9318      1.00000
     88      -6.8445      1.00000
     89      -6.6155      1.00000
     90      -6.5571      1.00000
     91      -6.2728      1.00000
     92      -6.0403      1.00000
     93      -5.9486      1.00000
     94      -5.6593      1.00000
     95      -5.6219      1.00000
     96      -5.4590      1.00000
     97      -5.3162      1.00000
     98      -5.2771      1.00000
     99      -5.2107      1.00000
    100      -5.1936      1.00000
    101      -4.4988      1.00000
    102      -4.2017      1.00000
    103      -4.0553      1.00000
    104      -3.9888      1.00000
    105      -3.6902      1.00000
    106      -3.4897      1.00000
    107      -1.9467      0.00000
    108      -1.8990      0.00000
    109      -1.3363      0.00000
    110      -1.0865      0.00000
    111      -1.0621      0.00000
    112      -0.8019      0.00000
    113      -0.6828      0.00000
    114      -0.6482      0.00000
    115      -0.6094      0.00000
    116      -0.1113      0.00000
    117       0.2125      0.00000
    118       0.3249      0.00000
    119       0.7044      0.00000
    120       0.8929      0.00000
    121       1.1235      0.00000
    122       1.1965      0.00000
    123       1.3326      0.00000
    124       1.4294      0.00000
    125       1.5534      0.00000
    126       1.5745      0.00000
    127       1.6932      0.00000
    128       1.8067      0.00000
    129       1.8835      0.00000
    130       2.0527      0.00000
    131       2.0970      0.00000
    132       2.3004      0.00000
    133       2.3507      0.00000
    134       2.4122      0.00000
    135       2.5566      0.00000
    136       2.6344      0.00000
    137       2.7147      0.00000
    138       2.7370      0.00000
    139       2.7852      0.00000
    140       2.8716      0.00000
    141       3.0291      0.00000
    142       3.0635      0.00000
    143       3.1736      0.00000
    144       3.2677      0.00000
    145       3.3660      0.00000
    146       3.4174      0.00000
    147       3.4361      0.00000
    148       3.5471      0.00000
    149       3.5689      0.00000
    150       3.5896      0.00000
    151       3.6545      0.00000
    152       3.6793      0.00000
    153       3.7595      0.00000
    154       3.7681      0.00000
    155       3.8060      0.00000
    156       3.8927      0.00000
    157       3.9288      0.00000
    158       4.0009      0.00000
    159       4.2128      0.00000
    160       4.2284      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3111      1.00000
      2     -21.9566      1.00000
      3     -21.8871      1.00000
      4     -21.3751      1.00000
      5     -21.3462      1.00000
      6     -20.8334      1.00000
      7     -20.7679      1.00000
      8     -20.6177      1.00000
      9     -20.0730      1.00000
     10     -20.0676      1.00000
     11     -19.7110      1.00000
     12     -19.6868      1.00000
     13     -18.9920      1.00000
     14     -18.9864      1.00000
     15     -18.6375      1.00000
     16     -18.6222      1.00000
     17     -18.4557      1.00000
     18     -17.6698      1.00000
     19     -17.6199      1.00000
     20     -17.6166      1.00000
     21     -17.5740      1.00000
     22     -17.1241      1.00000
     23     -17.1026      1.00000
     24     -16.9622      1.00000
     25     -16.0021      1.00000
     26     -15.9260      1.00000
     27     -15.5806      1.00000
     28     -15.5804      1.00000
     29     -15.2837      1.00000
     30     -14.8607      1.00000
     31     -14.8339      1.00000
     32     -14.5743      1.00000
     33     -14.5318      1.00000
     34     -14.1692      1.00000
     35     -14.1548      1.00000
     36     -13.1474      1.00000
     37     -13.0937      1.00000
     38     -13.0239      1.00000
     39     -13.0147      1.00000
     40     -12.7043      1.00000
     41     -12.7004      1.00000
     42     -12.3397      1.00000
     43     -12.3075      1.00000
     44     -11.6374      1.00000
     45     -11.6245      1.00000
     46     -11.5699      1.00000
     47     -10.9492      1.00000
     48     -10.9157      1.00000
     49     -10.6266      1.00000
     50     -10.6213      1.00000
     51     -10.5431      1.00000
     52     -10.4997      1.00000
     53     -10.4989      1.00000
     54     -10.4378      1.00000
     55     -10.3520      1.00000
     56     -10.0934      1.00000
     57      -9.8980      1.00000
     58      -9.6009      1.00000
     59      -9.5475      1.00000
     60      -9.4508      1.00000
     61      -9.4130      1.00000
     62      -9.4023      1.00000
     63      -9.3717      1.00000
     64      -9.3707      1.00000
     65      -9.2826      1.00000
     66      -9.1711      1.00000
     67      -9.1466      1.00000
     68      -9.1149      1.00000
     69      -8.8656      1.00000
     70      -8.8590      1.00000
     71      -8.8115      1.00000
     72      -8.5918      1.00000
     73      -8.4757      1.00000
     74      -8.2002      1.00000
     75      -8.1649      1.00000
     76      -8.0092      1.00000
     77      -7.9554      1.00000
     78      -7.8454      1.00000
     79      -7.8351      1.00000
     80      -7.7042      1.00000
     81      -7.6942      1.00000
     82      -7.6218      1.00000
     83      -7.4417      1.00000
     84      -7.3020      1.00000
     85      -7.2445      1.00000
     86      -6.9075      1.00000
     87      -6.8949      1.00000
     88      -6.5869      1.00000
     89      -6.5481      1.00000
     90      -6.4027      1.00000
     91      -6.2530      1.00000
     92      -6.2313      1.00000
     93      -6.2099      1.00000
     94      -6.0190      1.00000
     95      -5.5464      1.00000
     96      -5.4854      1.00000
     97      -5.3457      1.00000
     98      -5.2166      1.00000
     99      -4.9797      1.00000
    100      -4.7276      1.00000
    101      -4.6757      1.00000
    102      -4.3824      1.00000
    103      -4.1970      1.00000
    104      -3.8641      1.00000
    105      -3.5463      1.00000
    106      -3.5010      1.00000
    107      -2.2583      0.00000
    108      -1.4543      0.00000
    109      -1.3756      0.00000
    110      -1.2444      0.00000
    111      -1.0975      0.00000
    112      -0.9455      0.00000
    113      -0.8650      0.00000
    114      -0.8056      0.00000
    115      -0.1431      0.00000
    116       0.1034      0.00000
    117       0.2356      0.00000
    118       0.3734      0.00000
    119       0.6634      0.00000
    120       0.8342      0.00000
    121       0.9340      0.00000
    122       1.0679      0.00000
    123       1.2460      0.00000
    124       1.4473      0.00000
    125       1.5674      0.00000
    126       1.7639      0.00000
    127       1.7883      0.00000
    128       1.8599      0.00000
    129       1.9888      0.00000
    130       2.0349      0.00000
    131       2.1805      0.00000
    132       2.1903      0.00000
    133       2.4109      0.00000
    134       2.4215      0.00000
    135       2.5026      0.00000
    136       2.5976      0.00000
    137       2.6291      0.00000
    138       2.7097      0.00000
    139       2.7598      0.00000
    140       2.8460      0.00000
    141       2.9615      0.00000
    142       3.0734      0.00000
    143       3.1687      0.00000
    144       3.2023      0.00000
    145       3.2359      0.00000
    146       3.2913      0.00000
    147       3.3195      0.00000
    148       3.4670      0.00000
    149       3.5156      0.00000
    150       3.6956      0.00000
    151       3.7240      0.00000
    152       3.7309      0.00000
    153       3.8651      0.00000
    154       3.8984      0.00000
    155       3.9370      0.00000
    156       3.9680      0.00000
    157       3.9833      0.00000
    158       4.0322      0.00000
    159       4.0342      0.00000
    160       4.0499      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2044      1.00000
      2     -22.1108      1.00000
      3     -21.9505      1.00000
      4     -21.3986      1.00000
      5     -21.0436      1.00000
      6     -21.0082      1.00000
      7     -20.4948      1.00000
      8     -20.4561      1.00000
      9     -20.2886      1.00000
     10     -20.2698      1.00000
     11     -19.9532      1.00000
     12     -19.8867      1.00000
     13     -18.8790      1.00000
     14     -18.8096      1.00000
     15     -18.3475      1.00000
     16     -18.3022      1.00000
     17     -18.1486      1.00000
     18     -18.1319      1.00000
     19     -17.8216      1.00000
     20     -17.7851      1.00000
     21     -17.2478      1.00000
     22     -17.2409      1.00000
     23     -17.1605      1.00000
     24     -17.1306      1.00000
     25     -16.1041      1.00000
     26     -15.8820      1.00000
     27     -15.8662      1.00000
     28     -15.8331      1.00000
     29     -15.2335      1.00000
     30     -14.5533      1.00000
     31     -14.5253      1.00000
     32     -14.2779      1.00000
     33     -13.9607      1.00000
     34     -13.9517      1.00000
     35     -13.8184      1.00000
     36     -13.8020      1.00000
     37     -13.6121      1.00000
     38     -13.5690      1.00000
     39     -13.3637      1.00000
     40     -12.6293      1.00000
     41     -12.1797      1.00000
     42     -12.1319      1.00000
     43     -12.0699      1.00000
     44     -12.0164      1.00000
     45     -11.6657      1.00000
     46     -11.6526      1.00000
     47     -11.1392      1.00000
     48     -11.1183      1.00000
     49     -10.7952      1.00000
     50     -10.7303      1.00000
     51     -10.5209      1.00000
     52     -10.2061      1.00000
     53     -10.2007      1.00000
     54     -10.1590      1.00000
     55     -10.0147      1.00000
     56      -9.9989      1.00000
     57      -9.9865      1.00000
     58      -9.8017      1.00000
     59      -9.7906      1.00000
     60      -9.7636      1.00000
     61      -9.7564      1.00000
     62      -9.4555      1.00000
     63      -9.4122      1.00000
     64      -9.0769      1.00000
     65      -9.0683      1.00000
     66      -9.0388      1.00000
     67      -8.9554      1.00000
     68      -8.8726      1.00000
     69      -8.7101      1.00000
     70      -8.6958      1.00000
     71      -8.5667      1.00000
     72      -8.5447      1.00000
     73      -8.4964      1.00000
     74      -8.4588      1.00000
     75      -8.4543      1.00000
     76      -8.2557      1.00000
     77      -8.1210      1.00000
     78      -8.0385      1.00000
     79      -7.9137      1.00000
     80      -7.8590      1.00000
     81      -7.6141      1.00000
     82      -7.5473      1.00000
     83      -7.4933      1.00000
     84      -7.2587      1.00000
     85      -6.9932      1.00000
     86      -6.9226      1.00000
     87      -6.8806      1.00000
     88      -6.5349      1.00000
     89      -6.4887      1.00000
     90      -6.4597      1.00000
     91      -6.4082      1.00000
     92      -5.9800      1.00000
     93      -5.8946      1.00000
     94      -5.7810      1.00000
     95      -5.7586      1.00000
     96      -5.4275      1.00000
     97      -5.3268      1.00000
     98      -5.2278      1.00000
     99      -5.2146      1.00000
    100      -5.1885      1.00000
    101      -4.6885      1.00000
    102      -4.4151      1.00000
    103      -4.2033      1.00000
    104      -3.8259      1.00000
    105      -3.5202      1.00000
    106      -3.2749      1.00000
    107      -2.5324      0.00000
    108      -1.4554      0.00000
    109      -1.2699      0.00000
    110      -1.2047      0.00000
    111      -1.1750      0.00000
    112      -0.7211      0.00000
    113      -0.5063      0.00000
    114      -0.4153      0.00000
    115      -0.3433      0.00000
    116      -0.1487      0.00000
    117      -0.0051      0.00000
    118       0.1898      0.00000
    119       0.5564      0.00000
    120       0.6096      0.00000
    121       0.8063      0.00000
    122       0.9146      0.00000
    123       1.1422      0.00000
    124       1.5038      0.00000
    125       1.6391      0.00000
    126       1.8685      0.00000
    127       1.9371      0.00000
    128       2.0947      0.00000
    129       2.1151      0.00000
    130       2.1273      0.00000
    131       2.1681      0.00000
    132       2.2751      0.00000
    133       2.3092      0.00000
    134       2.4564      0.00000
    135       2.5783      0.00000
    136       2.6632      0.00000
    137       2.8585      0.00000
    138       2.8683      0.00000
    139       2.9007      0.00000
    140       2.9799      0.00000
    141       3.0130      0.00000
    142       3.1428      0.00000
    143       3.1503      0.00000
    144       3.2136      0.00000
    145       3.2696      0.00000
    146       3.2851      0.00000
    147       3.3076      0.00000
    148       3.3530      0.00000
    149       3.4335      0.00000
    150       3.4517      0.00000
    151       3.5587      0.00000
    152       3.6148      0.00000
    153       3.6668      0.00000
    154       3.7102      0.00000
    155       3.7861      0.00000
    156       3.9034      0.00000
    157       3.9197      0.00000
    158       4.0079      0.00000
    159       4.1484      0.00000
    160       4.2305      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3110      1.00000
      2     -21.9582      1.00000
      3     -21.8856      1.00000
      4     -21.3780      1.00000
      5     -21.3422      1.00000
      6     -20.8342      1.00000
      7     -20.7673      1.00000
      8     -20.6198      1.00000
      9     -20.0835      1.00000
     10     -20.0553      1.00000
     11     -19.7132      1.00000
     12     -19.6849      1.00000
     13     -19.0047      1.00000
     14     -18.9741      1.00000
     15     -18.6438      1.00000
     16     -18.6121      1.00000
     17     -18.4573      1.00000
     18     -17.6572      1.00000
     19     -17.6451      1.00000
     20     -17.6077      1.00000
     21     -17.5748      1.00000
     22     -17.1330      1.00000
     23     -17.0940      1.00000
     24     -16.9614      1.00000
     25     -16.0046      1.00000
     26     -15.9173      1.00000
     27     -15.5953      1.00000
     28     -15.5715      1.00000
     29     -15.2771      1.00000
     30     -14.8731      1.00000
     31     -14.8265      1.00000
     32     -14.5740      1.00000
     33     -14.5350      1.00000
     34     -14.1596      1.00000
     35     -14.1547      1.00000
     36     -13.1603      1.00000
     37     -13.0932      1.00000
     38     -13.0223      1.00000
     39     -13.0170      1.00000
     40     -12.7170      1.00000
     41     -12.6935      1.00000
     42     -12.3366      1.00000
     43     -12.3075      1.00000
     44     -11.6279      1.00000
     45     -11.6192      1.00000
     46     -11.5657      1.00000
     47     -10.9381      1.00000
     48     -10.9177      1.00000
     49     -10.6642      1.00000
     50     -10.5909      1.00000
     51     -10.5694      1.00000
     52     -10.4949      1.00000
     53     -10.4858      1.00000
     54     -10.4391      1.00000
     55     -10.3567      1.00000
     56     -10.0976      1.00000
     57      -9.8923      1.00000
     58      -9.6104      1.00000
     59      -9.5515      1.00000
     60      -9.4495      1.00000
     61      -9.4121      1.00000
     62      -9.4077      1.00000
     63      -9.3807      1.00000
     64      -9.3720      1.00000
     65      -9.2623      1.00000
     66      -9.1625      1.00000
     67      -9.1389      1.00000
     68      -9.1130      1.00000
     69      -8.8647      1.00000
     70      -8.8540      1.00000
     71      -8.7984      1.00000
     72      -8.5919      1.00000
     73      -8.5217      1.00000
     74      -8.1916      1.00000
     75      -8.1672      1.00000
     76      -8.0749      1.00000
     77      -7.8592      1.00000
     78      -7.8376      1.00000
     79      -7.8191      1.00000
     80      -7.7115      1.00000
     81      -7.6963      1.00000
     82      -7.5973      1.00000
     83      -7.5218      1.00000
     84      -7.3481      1.00000
     85      -7.1625      1.00000
     86      -6.9049      1.00000
     87      -6.8942      1.00000
     88      -6.5895      1.00000
     89      -6.5494      1.00000
     90      -6.4089      1.00000
     91      -6.2985      1.00000
     92      -6.2445      1.00000
     93      -6.1996      1.00000
     94      -6.0018      1.00000
     95      -5.5282      1.00000
     96      -5.4653      1.00000
     97      -5.3118      1.00000
     98      -5.2086      1.00000
     99      -5.0426      1.00000
    100      -4.7188      1.00000
    101      -4.6697      1.00000
    102      -4.4170      1.00000
    103      -4.1894      1.00000
    104      -3.8351      1.00000
    105      -3.6298      1.00000
    106      -3.4120      1.00000
    107      -2.2933      0.00000
    108      -1.5078      0.00000
    109      -1.2722      0.00000
    110      -1.2653      0.00000
    111      -1.0348      0.00000
    112      -0.9829      0.00000
    113      -0.8704      0.00000
    114      -0.8028      0.00000
    115      -0.2632      0.00000
    116       0.2024      0.00000
    117       0.2366      0.00000
    118       0.3568      0.00000
    119       0.6990      0.00000
    120       0.8895      0.00000
    121       0.9211      0.00000
    122       1.0475      0.00000
    123       1.1729      0.00000
    124       1.5148      0.00000
    125       1.5751      0.00000
    126       1.7097      0.00000
    127       1.7752      0.00000
    128       1.8248      0.00000
    129       1.9514      0.00000
    130       2.0028      0.00000
    131       2.1681      0.00000
    132       2.2751      0.00000
    133       2.4084      0.00000
    134       2.4296      0.00000
    135       2.5027      0.00000
    136       2.5982      0.00000
    137       2.6149      0.00000
    138       2.7125      0.00000
    139       2.7399      0.00000
    140       2.8725      0.00000
    141       3.0458      0.00000
    142       3.0745      0.00000
    143       3.1693      0.00000
    144       3.2182      0.00000
    145       3.2317      0.00000
    146       3.2868      0.00000
    147       3.3291      0.00000
    148       3.4565      0.00000
    149       3.5343      0.00000
    150       3.6991      0.00000
    151       3.7150      0.00000
    152       3.7541      0.00000
    153       3.8339      0.00000
    154       3.8746      0.00000
    155       3.9297      0.00000
    156       3.9718      0.00000
    157       3.9844      0.00000
    158       4.0177      0.00000
    159       4.0279      0.00000
    160       4.0959      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3831      1.00000
      2     -21.8248      1.00000
      3     -21.6343      1.00000
      4     -21.6004      1.00000
      5     -21.2724      1.00000
      6     -21.2260      1.00000
      7     -21.0509      1.00000
      8     -20.1661      1.00000
      9     -20.1207      1.00000
     10     -19.6101      1.00000
     11     -19.5845      1.00000
     12     -19.4120      1.00000
     13     -19.0897      1.00000
     14     -19.0506      1.00000
     15     -19.0465      1.00000
     16     -19.0346      1.00000
     17     -18.3615      1.00000
     18     -18.3421      1.00000
     19     -18.0150      1.00000
     20     -17.0707      1.00000
     21     -17.0230      1.00000
     22     -16.9461      1.00000
     23     -16.9324      1.00000
     24     -16.4693      1.00000
     25     -16.4577      1.00000
     26     -15.6033      1.00000
     27     -15.6028      1.00000
     28     -15.2473      1.00000
     29     -15.2353      1.00000
     30     -15.1903      1.00000
     31     -15.0996      1.00000
     32     -15.0669      1.00000
     33     -14.6929      1.00000
     34     -14.6919      1.00000
     35     -13.7207      1.00000
     36     -13.7206      1.00000
     37     -13.2365      1.00000
     38     -12.6242      1.00000
     39     -12.5802      1.00000
     40     -12.4523      1.00000
     41     -12.4471      1.00000
     42     -12.1031      1.00000
     43     -12.0981      1.00000
     44     -11.7131      1.00000
     45     -11.6751      1.00000
     46     -11.2430      1.00000
     47     -11.2222      1.00000
     48     -11.0173      1.00000
     49     -11.0060      1.00000
     50     -10.9216      1.00000
     51     -10.8933      1.00000
     52     -10.6295      1.00000
     53     -10.1710      1.00000
     54     -10.1484      1.00000
     55     -10.0887      1.00000
     56      -9.9855      1.00000
     57      -9.6948      1.00000
     58      -9.6875      1.00000
     59      -9.6656      1.00000
     60      -9.5884      1.00000
     61      -9.5651      1.00000
     62      -9.5481      1.00000
     63      -9.3128      1.00000
     64      -9.3019      1.00000
     65      -9.2785      1.00000
     66      -9.2346      1.00000
     67      -9.1186      1.00000
     68      -9.1131      1.00000
     69      -9.1109      1.00000
     70      -8.9350      1.00000
     71      -8.8671      1.00000
     72      -8.6015      1.00000
     73      -8.5840      1.00000
     74      -8.2689      1.00000
     75      -8.1061      1.00000
     76      -7.8614      1.00000
     77      -7.8403      1.00000
     78      -7.7878      1.00000
     79      -7.7671      1.00000
     80      -7.7576      1.00000
     81      -7.4362      1.00000
     82      -7.3370      1.00000
     83      -7.3252      1.00000
     84      -7.2612      1.00000
     85      -7.1621      1.00000
     86      -7.0094      1.00000
     87      -6.9839      1.00000
     88      -6.7135      1.00000
     89      -6.6888      1.00000
     90      -6.6296      1.00000
     91      -6.5876      1.00000
     92      -6.1229      1.00000
     93      -6.0545      1.00000
     94      -6.0423      1.00000
     95      -6.0254      1.00000
     96      -5.7475      1.00000
     97      -4.9680      1.00000
     98      -4.8365      1.00000
     99      -4.7085      1.00000
    100      -4.6735      1.00000
    101      -4.4772      1.00000
    102      -4.3442      1.00000
    103      -4.1097      1.00000
    104      -4.0531      1.00000
    105      -3.7490      1.00000
    106      -3.4578      1.00000
    107      -1.9497      0.00000
    108      -1.7730      0.00000
    109      -1.4812      0.00000
    110      -1.3561      0.00000
    111      -1.3397      0.00000
    112      -1.2955      0.00000
    113      -0.6834      0.00000
    114      -0.4725      0.00000
    115      -0.2361      0.00000
    116       0.0484      0.00000
    117       0.5978      0.00000
    118       0.6911      0.00000
    119       0.7665      0.00000
    120       1.0162      0.00000
    121       1.0930      0.00000
    122       1.1734      0.00000
    123       1.2522      0.00000
    124       1.3393      0.00000
    125       1.4479      0.00000
    126       1.6071      0.00000
    127       1.7458      0.00000
    128       1.8453      0.00000
    129       1.8521      0.00000
    130       1.8924      0.00000
    131       2.0370      0.00000
    132       2.2252      0.00000
    133       2.2496      0.00000
    134       2.2997      0.00000
    135       2.4824      0.00000
    136       2.5863      0.00000
    137       2.6332      0.00000
    138       2.7670      0.00000
    139       2.7707      0.00000
    140       2.8268      0.00000
    141       2.8333      0.00000
    142       2.8427      0.00000
    143       2.9302      0.00000
    144       3.1034      0.00000
    145       3.3107      0.00000
    146       3.3360      0.00000
    147       3.3715      0.00000
    148       3.3985      0.00000
    149       3.4101      0.00000
    150       3.5647      0.00000
    151       3.6109      0.00000
    152       3.6585      0.00000
    153       3.7280      0.00000
    154       3.8933      0.00000
    155       3.9300      0.00000
    156       3.9469      0.00000
    157       4.1118      0.00000
    158       4.2000      0.00000
    159       4.2304      0.00000
    160       4.2797      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2036      1.00000
      2     -22.1124      1.00000
      3     -21.9498      1.00000
      4     -21.3979      1.00000
      5     -21.0402      1.00000
      6     -21.0122      1.00000
      7     -20.4902      1.00000
      8     -20.4607      1.00000
      9     -20.2814      1.00000
     10     -20.2796      1.00000
     11     -19.9505      1.00000
     12     -19.8870      1.00000
     13     -18.8772      1.00000
     14     -18.8093      1.00000
     15     -18.3349      1.00000
     16     -18.3161      1.00000
     17     -18.1446      1.00000
     18     -18.1370      1.00000
     19     -17.8129      1.00000
     20     -17.7952      1.00000
     21     -17.2538      1.00000
     22     -17.2344      1.00000
     23     -17.1608      1.00000
     24     -17.1293      1.00000
     25     -16.1128      1.00000
     26     -15.8742      1.00000
     27     -15.8633      1.00000
     28     -15.8352      1.00000
     29     -15.2309      1.00000
     30     -14.5449      1.00000
     31     -14.5268      1.00000
     32     -14.2752      1.00000
     33     -13.9753      1.00000
     34     -13.9509      1.00000
     35     -13.8242      1.00000
     36     -13.8011      1.00000
     37     -13.6007      1.00000
     38     -13.5758      1.00000
     39     -13.3649      1.00000
     40     -12.6352      1.00000
     41     -12.1655      1.00000
     42     -12.1393      1.00000
     43     -12.0618      1.00000
     44     -12.0141      1.00000
     45     -11.6674      1.00000
     46     -11.6628      1.00000
     47     -11.1322      1.00000
     48     -11.1216      1.00000
     49     -10.7827      1.00000
     50     -10.7258      1.00000
     51     -10.5280      1.00000
     52     -10.2094      1.00000
     53     -10.2032      1.00000
     54     -10.1649      1.00000
     55     -10.0209      1.00000
     56      -9.9897      1.00000
     57      -9.9894      1.00000
     58      -9.8062      1.00000
     59      -9.7971      1.00000
     60      -9.7639      1.00000
     61      -9.7555      1.00000
     62      -9.4456      1.00000
     63      -9.4114      1.00000
     64      -9.0840      1.00000
     65      -9.0462      1.00000
     66      -9.0222      1.00000
     67      -8.9663      1.00000
     68      -8.8932      1.00000
     69      -8.7099      1.00000
     70      -8.7009      1.00000
     71      -8.5527      1.00000
     72      -8.5423      1.00000
     73      -8.4754      1.00000
     74      -8.4588      1.00000
     75      -8.4551      1.00000
     76      -8.3019      1.00000
     77      -8.0903      1.00000
     78      -8.0869      1.00000
     79      -7.9281      1.00000
     80      -7.8306      1.00000
     81      -7.5957      1.00000
     82      -7.5336      1.00000
     83      -7.4486      1.00000
     84      -7.2999      1.00000
     85      -6.9980      1.00000
     86      -6.9244      1.00000
     87      -6.8855      1.00000
     88      -6.5243      1.00000
     89      -6.5110      1.00000
     90      -6.4776      1.00000
     91      -6.4167      1.00000
     92      -5.9247      1.00000
     93      -5.9037      1.00000
     94      -5.7870      1.00000
     95      -5.7720      1.00000
     96      -5.3676      1.00000
     97      -5.3603      1.00000
     98      -5.2204      1.00000
     99      -5.2138      1.00000
    100      -5.1961      1.00000
    101      -4.7149      1.00000
    102      -4.4342      1.00000
    103      -4.1856      1.00000
    104      -3.8119      1.00000
    105      -3.5573      1.00000
    106      -3.2211      1.00000
    107      -2.5638      0.00000
    108      -1.4608      0.00000
    109      -1.2725      0.00000
    110      -1.1873      0.00000
    111      -1.1841      0.00000
    112      -0.6464      0.00000
    113      -0.5559      0.00000
    114      -0.4167      0.00000
    115      -0.3485      0.00000
    116      -0.0816      0.00000
    117      -0.0692      0.00000
    118       0.1231      0.00000
    119       0.5902      0.00000
    120       0.6247      0.00000
    121       0.8636      0.00000
    122       0.9970      0.00000
    123       1.0100      0.00000
    124       1.4978      0.00000
    125       1.6893      0.00000
    126       1.7869      0.00000
    127       1.8724      0.00000
    128       2.0967      0.00000
    129       2.1222      0.00000
    130       2.1765      0.00000
    131       2.2076      0.00000
    132       2.2444      0.00000
    133       2.3275      0.00000
    134       2.4913      0.00000
    135       2.5040      0.00000
    136       2.6738      0.00000
    137       2.8451      0.00000
    138       2.8553      0.00000
    139       2.9579      0.00000
    140       2.9688      0.00000
    141       3.0274      0.00000
    142       3.1460      0.00000
    143       3.1567      0.00000
    144       3.2285      0.00000
    145       3.2490      0.00000
    146       3.2793      0.00000
    147       3.3103      0.00000
    148       3.3623      0.00000
    149       3.4272      0.00000
    150       3.5566      0.00000
    151       3.5716      0.00000
    152       3.6503      0.00000
    153       3.6515      0.00000
    154       3.6705      0.00000
    155       3.7078      0.00000
    156       3.9083      0.00000
    157       3.9413      0.00000
    158       4.0413      0.00000
    159       4.0927      0.00000
    160       4.1957      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2769      1.00000
      2     -22.0723      1.00000
      3     -21.7131      1.00000
      4     -21.6748      1.00000
      5     -20.9766      1.00000
      6     -20.9296      1.00000
      7     -20.6055      1.00000
      8     -20.5743      1.00000
      9     -20.5605      1.00000
     10     -20.0279      1.00000
     11     -19.5067      1.00000
     12     -19.4772      1.00000
     13     -19.3050      1.00000
     14     -19.2922      1.00000
     15     -18.4462      1.00000
     16     -18.4037      1.00000
     17     -17.9227      1.00000
     18     -17.9028      1.00000
     19     -17.7634      1.00000
     20     -17.7191      1.00000
     21     -17.4374      1.00000
     22     -17.4193      1.00000
     23     -17.3380      1.00000
     24     -16.4649      1.00000
     25     -16.4549      1.00000
     26     -15.9676      1.00000
     27     -15.4047      1.00000
     28     -15.4039      1.00000
     29     -15.0902      1.00000
     30     -15.0870      1.00000
     31     -14.8522      1.00000
     32     -14.8404      1.00000
     33     -14.2971      1.00000
     34     -14.2537      1.00000
     35     -13.4442      1.00000
     36     -13.4006      1.00000
     37     -13.1715      1.00000
     38     -13.1702      1.00000
     39     -12.9816      1.00000
     40     -12.9728      1.00000
     41     -12.6079      1.00000
     42     -12.6057      1.00000
     43     -12.1989      1.00000
     44     -11.5714      1.00000
     45     -11.5309      1.00000
     46     -11.3058      1.00000
     47     -11.2761      1.00000
     48     -11.1449      1.00000
     49     -10.6876      1.00000
     50     -10.6597      1.00000
     51     -10.5413      1.00000
     52     -10.3227      1.00000
     53     -10.3154      1.00000
     54     -10.1696      1.00000
     55     -10.1178      1.00000
     56     -10.1051      1.00000
     57      -9.8065      1.00000
     58      -9.7521      1.00000
     59      -9.7513      1.00000
     60      -9.7033      1.00000
     61      -9.6989      1.00000
     62      -9.6414      1.00000
     63      -9.3527      1.00000
     64      -9.3517      1.00000
     65      -9.3094      1.00000
     66      -9.0239      1.00000
     67      -8.9621      1.00000
     68      -8.9569      1.00000
     69      -8.7711      1.00000
     70      -8.5840      1.00000
     71      -8.5825      1.00000
     72      -8.4189      1.00000
     73      -8.3461      1.00000
     74      -8.3203      1.00000
     75      -8.3035      1.00000
     76      -8.2645      1.00000
     77      -8.2520      1.00000
     78      -8.2334      1.00000
     79      -7.9216      1.00000
     80      -7.7333      1.00000
     81      -7.3823      1.00000
     82      -7.3522      1.00000
     83      -7.3109      1.00000
     84      -7.2218      1.00000
     85      -7.1555      1.00000
     86      -7.0641      1.00000
     87      -6.9563      1.00000
     88      -6.9036      1.00000
     89      -6.6084      1.00000
     90      -6.5624      1.00000
     91      -6.2665      1.00000
     92      -5.9941      1.00000
     93      -5.9581      1.00000
     94      -5.6721      1.00000
     95      -5.6455      1.00000
     96      -5.3856      1.00000
     97      -5.3142      1.00000
     98      -5.2927      1.00000
     99      -5.2103      1.00000
    100      -5.1985      1.00000
    101      -4.5025      1.00000
    102      -4.3301      1.00000
    103      -3.9935      1.00000
    104      -3.8833      1.00000
    105      -3.7868      1.00000
    106      -3.4365      1.00000
    107      -2.0344      0.00000
    108      -1.8658      0.00000
    109      -1.2169      0.00000
    110      -1.1894      0.00000
    111      -1.0361      0.00000
    112      -0.7731      0.00000
    113      -0.6817      0.00000
    114      -0.6602      0.00000
    115      -0.6133      0.00000
    116      -0.1058      0.00000
    117       0.2183      0.00000
    118       0.2358      0.00000
    119       0.7801      0.00000
    120       0.9922      0.00000
    121       1.0755      0.00000
    122       1.2404      0.00000
    123       1.2517      0.00000
    124       1.3464      0.00000
    125       1.5788      0.00000
    126       1.5825      0.00000
    127       1.7169      0.00000
    128       1.7902      0.00000
    129       1.9587      0.00000
    130       1.9800      0.00000
    131       2.0441      0.00000
    132       2.2564      0.00000
    133       2.3368      0.00000
    134       2.4307      0.00000
    135       2.5462      0.00000
    136       2.6296      0.00000
    137       2.7235      0.00000
    138       2.7933      0.00000
    139       2.8540      0.00000
    140       2.8544      0.00000
    141       3.0251      0.00000
    142       3.1103      0.00000
    143       3.1669      0.00000
    144       3.2197      0.00000
    145       3.3714      0.00000
    146       3.4159      0.00000
    147       3.5002      0.00000
    148       3.5335      0.00000
    149       3.5884      0.00000
    150       3.5963      0.00000
    151       3.6499      0.00000
    152       3.7355      0.00000
    153       3.7477      0.00000
    154       3.7575      0.00000
    155       3.7716      0.00000
    156       3.8750      0.00000
    157       4.0283      0.00000
    158       4.0955      0.00000
    159       4.1728      0.00000
    160       4.2202      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0449   -7.4005    4.1998   -1.2764   -0.2379   17.6058    0.1369   -0.5293    0.6317   -0.4657
x    -3.0907   -0.0369   -0.0632    0.0620   -0.0120   -2.9782   -0.0088   -0.0069    0.0048    0.0015
x    -0.0969    0.0018   -0.0013    0.0004    0.0002   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0449    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0004    0.0006   -0.0937   -0.0089    0.0365    0.0398
y    -0.0451   -3.2435   -0.5410   -0.1654   -1.1996   -0.6061
z   204.0449    1.1125   -0.3112    0.0495    0.0216    0.0864   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1122    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7609
z    -0.2214    0.2323   -0.0560    0.0610   -0.0899    0.0008
 total charge-density along one line
x   212.0000  -10.2325    6.1487   -2.0867   -0.4737   19.5221   -1.0082    0.4785   -0.0481   -0.1255
x    -2.6442   -0.0272   -0.0609    0.0848   -0.0554   -2.2250   -0.0234   -0.0023    0.0051    0.0021
x    -0.0898    0.0061   -0.0050    0.0027   -0.0008   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2325    6.1487   -2.0867   -0.4737   19.5221   -1.0082    0.4785   -0.0481   -0.1255
y    -2.6442   -0.0272   -0.0609    0.0848   -0.0554   -2.2250   -0.0234   -0.0023    0.0051    0.0021
y    -0.0898    0.0061   -0.0050    0.0027   -0.0008   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3208  188.8872 -170.1337  154.0368 -140.4743  126.7633 -111.3756   95.0187  -79.2138
z    64.8369  -52.0419   40.9437  -31.8787   25.0096  -19.9459   15.9197  -12.3268    9.0563   -6.3358
z     4.3400   -2.9774    1.9955   -1.2066    0.5797   -0.1516   -0.0956    0.2497   -0.3881    0.5136
z    -0.5779    0.5541   -0.4736    0.3958   -0.3539    0.3354   -0.3100    0.2648   -0.2122    0.1702
z    -0.1437    0.1246   -0.1044    0.0828   -0.0652    0.0545   -0.0484    0.0427   -0.0356    0.0289
z    -0.0241    0.0211   -0.0187    0.0159   -0.0129    0.0103   -0.0082    0.0064   -0.0048    0.0035
z    -0.0025    0.0015   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.627   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.131   0.000  -0.033  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.586  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.627   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.027  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.586   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.035   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.030   8.932
  2        0.520   0.027   0.000   0.548
  3        0.520   0.027   0.000   0.548
  4        0.864   1.782   0.000   2.646
  5        0.864   1.783   0.000   2.647
  6        0.863   1.782   0.000   2.645
  7        0.864   1.782   0.000   2.646
  8        0.864   1.782   0.000   2.645
  9        0.864   1.782   0.000   2.646
 10        0.864   1.784   0.000   2.647
 11        0.864   1.782   0.000   2.646
 12        0.863   1.784   0.000   2.647
 13        0.863   1.782   0.000   2.645
 14        0.864   1.783   0.000   2.646
 15        0.864   1.783   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.863   1.782   0.000   2.645
 20        0.864   1.782   0.000   2.646
 21        0.864   1.781   0.000   2.644
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.645
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.644
 27        0.864   1.782   0.000   2.646
 28        0.864   1.784   0.000   2.647
 29        0.864   1.782   0.000   2.645
 30        0.864   1.784   0.000   2.647
 31        0.864   1.782   0.000   2.646
 32        0.864   1.781   0.000   2.644
 33        0.864   1.781   0.000   2.645
 34        0.863   1.782   0.000   2.645
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.783   0.000   2.646
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.783   0.000   2.647
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.784   0.000   2.647
 47        0.864   1.782   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.782   0.000   2.646
 50        0.864   1.782   0.000   2.645
 51        0.864   1.782   0.000   2.646
 52        0.863   1.782   0.000   2.645
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.856  89.381   8.030 142.267
 


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


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


    CHARGE:  VPU time  112.41: CPU time   56.60
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  436.27: CPU time  218.96
    STRESS:  VPU time 1170.67: CPU time  588.66
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.15
 d Force = 0.2819280E-01[ 0.122E-02, 0.552E-01]  d Energy = 0.3329861E-01-0.511E-02
 d Force =-0.1362469E+01[-0.149E+01,-0.124E+01]  d Ewald  = 0.3891344E+02-0.403E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726131 eV

  energy  without entropy=     -471.726131  energy(sigma->0) =     -471.726131
 

  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    40765.54  40722.95 -47460.74    -36.88      0.00      0.00
  Hartree  40192.28  40176.14 -39449.97    -13.98      0.00      0.00
  E(xc)     -779.29   -779.59   -807.22     -0.26      0.00      0.00
  Local   -83242.10 -83192.49  84225.87     42.96      0.00      0.00
  n-local   -216.61   -215.57   -203.42      0.63      0.00      0.00
  augment     20.08     22.07     17.83      1.72      0.00      0.00
  Kinetic   3161.02   3175.41   3583.31      4.12      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -1.42     -0.88     -0.42      0.47      0.00      0.00
  in kB       -0.86     -0.53     -0.25      0.29      0.00      0.00
  external pressure =       -0.55 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.350665620 -0.001560839  0.000000000     0.080973206  0.046763615  0.000000000
    -6.176691180 10.695205746  0.000000000     0.000011817  0.093506662  0.000000000
     0.000000000  0.000000000 19.972717449     0.000000000  0.000000000  0.050068300

  length of vectors
    12.350665718 12.350665564 19.972717449     0.093506662  0.093506663  0.050068300


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.486E-04 -.950E+03   0.420E-05 -.275E-04 0.959E+03   0.635E-20 -.847E-21 -.868E+01   0.133E-07 -.817E-08 -.732E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   0.239E-03 -.139E-03 -.149E-02
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   -.239E-03 0.139E-03 -.149E-02
   -.205E+01 0.118E+01 0.134E+02   0.205E+01 -.118E+01 -.134E+02   -.449E-02 0.259E-02 -.336E-01   -.155E-02 0.893E-03 0.166E-03
   0.620E+01 0.690E+01 0.164E+02   -.621E+01 -.692E+01 -.163E+02   -.375E-02 0.197E-01 -.388E-01   -.150E-02 0.257E-03 0.981E-04
   0.111E+02 0.514E+01 0.166E+02   -.112E+02 -.514E+01 -.166E+02   0.173E-01 0.129E-01 -.469E-01   -.134E-02 0.158E-02 0.284E-03
   0.462E+01 -.837E+00 0.155E+02   -.463E+01 0.847E+00 -.155E+02   0.101E-01 -.367E-02 -.744E-02   -.114E-02 0.583E-03 0.390E-03
   -.312E+01 -.248E+01 0.138E+02   0.311E+01 0.248E+01 -.138E+02   -.327E-02 0.366E-02 -.526E-02   -.130E-02 0.373E-03 0.249E-03
   0.588E+00 0.394E+01 0.138E+02   -.591E+00 -.394E+01 -.138E+02   -.481E-02 0.100E-02 -.526E-02   -.981E-03 0.937E-03 0.246E-03
   0.241E+01 0.189E+02 0.227E+02   -.242E+01 -.190E+02 -.227E+02   -.490E-02 0.962E-01 -.350E-01   -.106E-02 0.428E-03 0.216E-03
   0.226E+02 0.214E+02 0.401E+02   -.227E+02 -.217E+02 -.401E+02   0.717E-01 0.255E+00 -.782E-01   -.235E-02 0.161E-02 0.692E-03
   0.266E+02 -.341E+01 0.259E+02   -.269E+02 0.352E+01 -.259E+02   0.259E+00 -.104E+00 -.317E-01   -.158E-02 0.272E-02 0.111E-02
   0.901E+01 -.520E+01 0.156E+02   -.906E+01 0.523E+01 -.155E+02   0.410E-01 -.237E-01 -.126E-01   0.693E-03 -.406E-03 0.626E-03
   0.303E+01 -.358E+01 0.155E+02   -.305E+01 0.359E+01 -.155E+02   0.822E-02 -.689E-02 -.744E-02   -.107E-02 0.688E-03 0.383E-03
   -.599E+01 0.135E+02 0.176E+02   0.598E+01 -.136E+02 -.175E+02   -.734E-03 0.725E-01 -.506E-01   -.260E-03 0.208E-02 0.582E-03
   -.119E+02 0.360E+02 0.467E+02   0.119E+02 -.366E+02 -.470E+02   -.331E-01 0.602E+00 0.297E+00   0.103E-02 -.500E-03 0.146E-02
   0.234E+02 -.135E+02 0.916E+02   -.241E+02 0.139E+02 -.937E+02   0.626E+00 -.361E+00 0.202E+01   -.278E-02 0.160E-02 0.238E-02
   0.163E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.259E+02   0.220E+00 -.172E+00 -.317E-01   -.315E-02 0.166E-05 0.111E-02
   0.112E+01 -.122E+02 0.166E+02   -.113E+01 0.122E+02 -.166E+02   -.248E-02 -.214E-01 -.469E-01   -.204E-02 0.365E-03 0.279E-03
   -.415E+01 0.192E+01 0.142E+02   0.415E+01 -.193E+01 -.142E+02   -.187E-02 0.127E-01 -.314E-01   -.277E-02 0.161E-02 0.376E-03
   -.192E+02 0.111E+02 0.221E+02   0.193E+02 -.111E+02 -.221E+02   -.544E-01 0.314E-01 -.586E-01   -.177E-02 0.103E-02 0.120E-02
   -.371E+02 -.768E+01 0.467E+02   0.377E+02 0.796E+01 -.470E+02   -.538E+00 -.272E+00 0.297E+00   0.952E-03 -.645E-03 0.146E-02
   -.727E+01 -.303E+02 0.401E+02   0.745E+01 0.305E+02 -.401E+02   -.185E+00 -.190E+00 -.782E-01   -.257E-02 0.123E-02 0.691E-03
   -.287E+01 -.882E+01 0.164E+02   0.288E+01 0.884E+01 -.163E+02   -.189E-01 -.659E-02 -.388E-01   -.970E-03 0.117E-02 0.974E-04
   0.134E+01 -.775E+00 0.128E+02   -.135E+01 0.778E+00 -.128E+02   -.222E-02 0.128E-02 -.336E-01   -.887E-03 0.514E-03 0.243E-03
   -.374E+01 0.263E+01 0.142E+02   0.375E+01 -.263E+01 -.142E+02   -.119E-01 -.472E-02 -.314E-01   -.277E-02 0.160E-02 0.380E-03
   -.147E+02 -.159E+01 0.176E+02   0.148E+02 0.163E+01 -.175E+02   -.632E-01 -.356E-01 -.506E-01   -.193E-02 -.816E-03 0.589E-03
   -.151E+02 -.115E+02 0.227E+02   0.152E+02 0.116E+02 -.227E+02   -.858E-01 -.439E-01 -.350E-01   -.900E-03 0.701E-03 0.219E-03
   0.287E+01 0.882E+01 0.164E+02   -.288E+01 -.884E+01 -.163E+02   0.189E-01 0.659E-02 -.388E-01   0.970E-03 -.117E-02 0.974E-04
   0.151E+02 0.115E+02 0.227E+02   -.152E+02 -.116E+02 -.227E+02   0.858E-01 0.439E-01 -.350E-01   0.900E-03 -.701E-03 0.219E-03
   0.147E+02 0.159E+01 0.176E+02   -.148E+02 -.163E+01 -.175E+02   0.632E-01 0.356E-01 -.506E-01   0.193E-02 0.816E-03 0.589E-03
   0.374E+01 -.263E+01 0.142E+02   -.375E+01 0.263E+01 -.142E+02   0.119E-01 0.472E-02 -.314E-01   0.277E-02 -.160E-02 0.380E-03
   -.134E+01 0.775E+00 0.128E+02   0.135E+01 -.778E+00 -.128E+02   0.222E-02 -.128E-02 -.336E-01   0.887E-03 -.514E-03 0.243E-03
   -.112E+01 0.122E+02 0.166E+02   0.113E+01 -.122E+02 -.166E+02   0.248E-02 0.214E-01 -.469E-01   0.204E-02 -.366E-03 0.279E-03
   0.727E+01 0.303E+02 0.401E+02   -.745E+01 -.305E+02 -.401E+02   0.185E+00 0.190E+00 -.782E-01   0.257E-02 -.123E-02 0.691E-03
   0.371E+02 0.768E+01 0.467E+02   -.377E+02 -.796E+01 -.470E+02   0.538E+00 0.272E+00 0.297E+00   -.953E-03 0.645E-03 0.146E-02
   0.192E+02 -.111E+02 0.221E+02   -.193E+02 0.111E+02 -.221E+02   0.544E-01 -.314E-01 -.586E-01   0.177E-02 -.103E-02 0.120E-02
   0.415E+01 -.192E+01 0.142E+02   -.415E+01 0.193E+01 -.142E+02   0.187E-02 -.127E-01 -.314E-01   0.277E-02 -.161E-02 0.376E-03
   -.303E+01 0.358E+01 0.155E+02   0.305E+01 -.359E+01 -.155E+02   -.822E-02 0.689E-02 -.744E-02   0.107E-02 -.688E-03 0.383E-03
   -.163E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.259E+02   -.220E+00 0.172E+00 -.317E-01   0.315E-02 -.179E-05 0.111E-02
   -.234E+02 0.135E+02 0.916E+02   0.241E+02 -.139E+02 -.937E+02   -.626E+00 0.361E+00 0.202E+01   0.278E-02 -.160E-02 0.238E-02
   0.119E+02 -.360E+02 0.467E+02   -.119E+02 0.366E+02 -.470E+02   0.331E-01 -.602E+00 0.297E+00   -.103E-02 0.500E-03 0.146E-02
   0.599E+01 -.135E+02 0.176E+02   -.598E+01 0.136E+02 -.175E+02   0.734E-03 -.725E-01 -.506E-01   0.260E-03 -.208E-02 0.582E-03
   -.588E+00 -.394E+01 0.138E+02   0.591E+00 0.394E+01 -.138E+02   0.481E-02 -.100E-02 -.526E-02   0.981E-03 -.937E-03 0.246E-03
   -.901E+01 0.520E+01 0.156E+02   0.906E+01 -.523E+01 -.155E+02   -.410E-01 0.237E-01 -.126E-01   -.693E-03 0.406E-03 0.626E-03
   -.266E+02 0.341E+01 0.259E+02   0.269E+02 -.352E+01 -.259E+02   -.259E+00 0.104E+00 -.317E-01   0.158E-02 -.272E-02 0.111E-02
   -.226E+02 -.214E+02 0.401E+02   0.227E+02 0.217E+02 -.401E+02   -.717E-01 -.255E+00 -.782E-01   0.235E-02 -.161E-02 0.692E-03
   -.241E+01 -.189E+02 0.227E+02   0.242E+01 0.190E+02 -.227E+02   0.490E-02 -.962E-01 -.350E-01   0.106E-02 -.428E-03 0.216E-03
   0.205E+01 -.118E+01 0.134E+02   -.205E+01 0.118E+01 -.134E+02   0.449E-02 -.259E-02 -.336E-01   0.155E-02 -.893E-03 0.166E-03
   0.312E+01 0.248E+01 0.138E+02   -.311E+01 -.248E+01 -.138E+02   0.327E-02 -.366E-02 -.526E-02   0.130E-02 -.373E-03 0.249E-03
   -.462E+01 0.837E+00 0.155E+02   0.463E+01 -.847E+00 -.155E+02   -.101E-01 0.367E-02 -.744E-02   0.114E-02 -.583E-03 0.390E-03
   -.111E+02 -.514E+01 0.166E+02   0.112E+02 0.514E+01 -.166E+02   -.173E-01 -.129E-01 -.469E-01   0.134E-02 -.158E-02 0.284E-03
   -.620E+01 -.690E+01 0.164E+02   0.621E+01 0.692E+01 -.163E+02   0.375E-02 -.197E-01 -.388E-01   0.150E-02 -.257E-03 0.981E-04
 -----------------------------------------------------------------------------------------------
   -.179E-02 0.288E-03 0.101E+02   0.196E-12 -.444E-13 0.696E-12   -.364E-16 0.243E-16 -.101E+02   0.136E-06 -.959E-07 0.207E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85183      6.05994     12.33094         0.000000      0.000000      0.023610
      1.07715      6.50720     13.59329         0.005996     -0.003462     -0.013695
      2.62651      5.61268     13.59329        -0.005996      0.003462     -0.013695
      0.00014     -0.00008      9.97393        -0.009796      0.005656     -0.010208
     -1.23536      2.13773      9.97403        -0.012830      0.002169     -0.006870
     -2.47149      4.27774      9.97924        -0.008344      0.007142      0.005036
     -3.70626      6.41707      9.97630        -0.010651      0.006876      0.009331
     -4.94117      8.55608      9.97434        -0.008950      0.005375      0.001726
      2.47030     -0.00043      9.97434        -0.009130      0.005064      0.001726
      1.23425      2.13741      9.97762        -0.011430     -0.004970      0.006691
     -0.00297      4.27225      9.99210        -0.013300     -0.003740     -0.013086
     -1.23966      6.41726     10.00315        -0.016077      0.009631      0.002523
     -2.47148      8.55600      9.98061        -0.006483      0.003743      0.002701
      4.94019     -0.00039      9.97630        -0.011280      0.005786      0.009331
      3.70531      2.13659      9.98552        -0.003635      0.004788     -0.004439
      2.47041      4.26926     10.02456        -0.006332     -0.002771      0.001199
      1.22873      6.41969     10.03373        -0.014209      0.008203      0.012127
     -0.00337      8.55859     10.00315        -0.016379      0.009107      0.002523
      7.41029     -0.00006      9.97924        -0.010358      0.003655      0.005036
      6.17491      2.13802      9.97600        -0.008881      0.006195      0.009914
      4.94046      4.27672      9.99582        -0.007502      0.004331     -0.018112
      3.71189      6.41957     10.02456        -0.000766      0.006869      0.001199
      2.47261      8.56009      9.99210        -0.003411      0.013388     -0.013086
      9.88166     -0.00057      9.97403        -0.008293      0.010027     -0.006870
      8.64526      2.13775      9.97392        -0.007934      0.004581     -0.008668
      7.40986      4.27701      9.97600        -0.009806      0.004594      0.009914
      6.17630      6.41646      9.98552        -0.005964      0.000754     -0.004439
      4.94005      8.55604      9.97762        -0.001411      0.012384      0.006691
     -0.00131      1.42525      9.97403         0.008293     -0.010027     -0.006870
     -1.23639      3.56384      9.97762         0.001411     -0.012384      0.006691
     -2.47264      5.70342      9.98552         0.005964     -0.000754     -0.004439
     -3.70620      7.84287      9.97600         0.009806     -0.004594      0.009914
     -4.94160      9.98213      9.97392         0.007934     -0.004581     -0.008668
      2.47006      1.42473      9.97924         0.010358     -0.003655      0.005036
      1.23105      3.55979      9.99210         0.003411     -0.013388     -0.013086
     -0.00823      5.70031     10.02456         0.000766     -0.006869      0.001199
     -1.23680      7.84316      9.99582         0.007502     -0.004331     -0.018112
     -2.47125      9.98186      9.97600         0.008881     -0.006195      0.009914
      4.94016      1.42506      9.97630         0.011280     -0.005786      0.009331
      3.70703      3.56129     10.00315         0.016379     -0.009107      0.002523
      2.47493      5.70019     10.03373         0.014209     -0.008203      0.012127
      1.23325      7.85062     10.02456         0.006332      0.002771      0.001199
     -0.00165      9.98330      9.98552         0.003635     -0.004788     -0.004439
      7.41005      1.42511      9.97434         0.009130     -0.005064      0.001726
      6.17514      3.56388      9.98061         0.006483     -0.003743      0.002701
      4.94332      5.70262     10.00315         0.016077     -0.009631      0.002523
      3.70663      7.84763      9.99210         0.013300      0.003740     -0.013086
      2.46941      9.98247      9.97762         0.011430      0.004970      0.006691
      9.88021      1.42476      9.97393         0.009796     -0.005656     -0.010208
      8.64483      3.56380      9.97434         0.008950     -0.005375      0.001726
      7.40992      5.70281      9.97630         0.010651     -0.006876      0.009331
      6.17515      7.84215      9.97924         0.008344     -0.007142      0.005036
      4.93902      9.98215      9.97403         0.012830     -0.002169     -0.006870
 -----------------------------------------------------------------------------------
    total drift:                               -0.001792      0.000288      0.006732


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




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


    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  150.49: CPU time   75.31
     LOOP+:  VPU time11084.48: CPU time 5721.68


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


    POTLOK:  VPU time    7.92: CPU time    7.72
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1139.08: CPU time  582.72
 BZINTS: Fermi energy: -3.204030;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.13: CPU time   45.41
    MIXING:  VPU time    0.12: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1237.60: CPU time  636.28

 eigenvalue-minimisations  :  4184
 total energy-change (2. order) :-0.4717261E+03  (-0.1020792E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9552072 magnetization   -0.0000009

 Broyden mixing:
  rms(total) = 0.42629E-03    rms(broyden)= 0.42622E-03
  rms(prec ) = 0.48397E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34028.08687370
  -1/2 Hartree   DENC   =    -40919.10628979
  -V(xc)+E(xc)   XCENC  =       726.43293864
  PAW double counting   =      4090.57552521    -4128.88947319
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.26555901
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72613083 eV

  energy without entropy =     -471.72613083  energy(sigma->0) =     -471.72613083


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




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


    POTLOK:  VPU time    7.71: CPU time    7.72
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1145.83: CPU time  585.22
 BZINTS: Fermi energy: -3.204360;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1153.87: CPU time  593.26

 eigenvalue-minimisations  :  4208
 total energy-change (2. order) :-0.3304152E-05  (-0.9254690E-06)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9552072 magnetization   -0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34028.08687370
  -1/2 Hartree   DENC   =    -40919.07615237
  -V(xc)+E(xc)   XCENC  =       726.43275141
  PAW double counting   =      4090.59134543    -4128.90539779
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.29540810
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72613413 eV

  energy without entropy =     -471.72613413  energy(sigma->0) =     -471.72613413


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2077       2 -39.5384       3 -39.5385       4 -58.3173       5 -58.3208
       6 -58.3236       7 -58.3184       8 -58.3188       9 -58.3187      10 -58.3247
      11 -58.3907      12 -58.3549      13 -58.3266      14 -58.3184      15 -58.3281
      16 -58.5436      17 -58.7306      18 -58.3549      19 -58.3236      20 -58.3237
      21 -58.3613      22 -58.5437      23 -58.3907      24 -58.3208      25 -58.3265
      26 -58.3237      27 -58.3281      28 -58.3247      29 -58.3207      30 -58.3246
      31 -58.3280      32 -58.3236      33 -58.3264      34 -58.3235      35 -58.3906
      36 -58.5436      37 -58.3612      38 -58.3236      39 -58.3183      40 -58.3548
      41 -58.7305      42 -58.5436      43 -58.3280      44 -58.3186      45 -58.3264
      46 -58.3548      47 -58.3906      48 -58.3246      49 -58.3172      50 -58.3186
      51 -58.3183      52 -58.3235      53 -58.3207
 
 
 
 E-fermi :  -3.2044     XC(G=0):  -2.3456     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     -22.4205      1.00000
      2     -21.5976      1.00000
      3     -21.4766      1.00000
      4     -21.4676      1.00000
      5     -21.4349      1.00000
      6     -21.4344      1.00000
      7     -21.4241      1.00000
      8     -19.7023      1.00000
      9     -19.6487      1.00000
     10     -19.6246      1.00000
     11     -19.6149      1.00000
     12     -19.6079      1.00000
     13     -19.6078      1.00000
     14     -18.7845      1.00000
     15     -18.7516      1.00000
     16     -18.7299      1.00000
     17     -18.7211      1.00000
     18     -18.7160      1.00000
     19     -18.7090      1.00000
     20     -16.6318      1.00000
     21     -16.6092      1.00000
     22     -16.5845      1.00000
     23     -16.5783      1.00000
     24     -16.5529      1.00000
     25     -16.5492      1.00000
     26     -15.6122      1.00000
     27     -15.5974      1.00000
     28     -15.5947      1.00000
     29     -15.5600      1.00000
     30     -15.5597      1.00000
     31     -15.5589      1.00000
     32     -14.2587      1.00000
     33     -14.2483      1.00000
     34     -14.2370      1.00000
     35     -14.2309      1.00000
     36     -14.2200      1.00000
     37     -14.2187      1.00000
     38     -11.9055      1.00000
     39     -11.8791      1.00000
     40     -11.8669      1.00000
     41     -11.8643      1.00000
     42     -11.8451      1.00000
     43     -11.8437      1.00000
     44     -11.7707      1.00000
     45     -11.7647      1.00000
     46     -11.7344      1.00000
     47     -11.7262      1.00000
     48     -11.7214      1.00000
     49     -11.7177      1.00000
     50     -10.6693      1.00000
     51     -10.3861      1.00000
     52     -10.3805      1.00000
     53     -10.3733      1.00000
     54     -10.3683      1.00000
     55     -10.3527      1.00000
     56     -10.3515      1.00000
     57      -9.8981      1.00000
     58      -9.4451      1.00000
     59      -9.4016      1.00000
     60      -9.3580      1.00000
     61      -9.3572      1.00000
     62      -9.3496      1.00000
     63      -9.1450      1.00000
     64      -9.1227      1.00000
     65      -9.1150      1.00000
     66      -9.0826      1.00000
     67      -9.0745      1.00000
     68      -9.0738      1.00000
     69      -9.0724      1.00000
     70      -9.0648      1.00000
     71      -9.0569      1.00000
     72      -9.0354      1.00000
     73      -9.0301      1.00000
     74      -9.0264      1.00000
     75      -8.1339      1.00000
     76      -7.7311      1.00000
     77      -7.4697      1.00000
     78      -7.4673      1.00000
     79      -7.4521      1.00000
     80      -7.4326      1.00000
     81      -7.4279      1.00000
     82      -7.4065      1.00000
     83      -7.3092      1.00000
     84      -7.2681      1.00000
     85      -7.2541      1.00000
     86      -7.2464      1.00000
     87      -7.1542      1.00000
     88      -7.0435      1.00000
     89      -6.4446      1.00000
     90      -6.4124      1.00000
     91      -6.3976      1.00000
     92      -6.3629      1.00000
     93      -6.3515      1.00000
     94      -6.3388      1.00000
     95      -5.9655      1.00000
     96      -5.9544      1.00000
     97      -4.7968      1.00000
     98      -4.5406      1.00000
     99      -4.4815      1.00000
    100      -4.4703      1.00000
    101      -4.3827      1.00000
    102      -4.3810      1.00000
    103      -4.2656      1.00000
    104      -4.1842      1.00000
    105      -3.7342      1.00000
    106      -3.4701      1.00000
    107      -1.8601      0.00000
    108      -1.6761      0.00000
    109      -1.6262      0.00000
    110      -1.5923      0.00000
    111      -1.5796      0.00000
    112      -1.5775      0.00000
    113      -0.4294      0.00000
    114       0.1370      0.00000
    115       0.1910      0.00000
    116       0.2538      0.00000
    117       0.2610      0.00000
    118       0.2688      0.00000
    119       0.4718      0.00000
    120       0.5604      0.00000
    121       1.2554      0.00000
    122       1.2921      0.00000
    123       1.5438      0.00000
    124       1.7649      0.00000
    125       1.7839      0.00000
    126       1.7869      0.00000
    127       1.7880      0.00000
    128       1.8316      0.00000
    129       1.9537      0.00000
    130       1.9678      0.00000
    131       1.9680      0.00000
    132       1.9836      0.00000
    133       1.9902      0.00000
    134       2.0854      0.00000
    135       2.2684      0.00000
    136       2.3351      0.00000
    137       2.6375      0.00000
    138       2.6391      0.00000
    139       2.6701      0.00000
    140       2.7098      0.00000
    141       2.9411      0.00000
    142       3.0210      0.00000
    143       3.0290      0.00000
    144       3.0476      0.00000
    145       3.0481      0.00000
    146       3.0487      0.00000
    147       3.1021      0.00000
    148       3.2785      0.00000
    149       3.4442      0.00000
    150       3.5185      0.00000
    151       3.8083      0.00000
    152       3.9430      0.00000
    153       3.9461      0.00000
    154       3.9464      0.00000
    155       3.9529      0.00000
    156       4.0011      0.00000
    157       4.1934      0.00000
    158       4.2694      0.00000
    159       4.2835      0.00000
    160       4.2904      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3839      1.00000
      2     -21.8249      1.00000
      3     -21.6328      1.00000
      4     -21.6051      1.00000
      5     -21.2696      1.00000
      6     -21.2299      1.00000
      7     -21.0513      1.00000
      8     -20.1629      1.00000
      9     -20.1245      1.00000
     10     -19.6048      1.00000
     11     -19.5939      1.00000
     12     -19.4122      1.00000
     13     -19.0848      1.00000
     14     -19.0573      1.00000
     15     -19.0447      1.00000
     16     -19.0370      1.00000
     17     -18.3574      1.00000
     18     -18.3490      1.00000
     19     -18.0147      1.00000
     20     -17.0659      1.00000
     21     -17.0270      1.00000
     22     -16.9406      1.00000
     23     -16.9388      1.00000
     24     -16.4660      1.00000
     25     -16.4634      1.00000
     26     -15.6124      1.00000
     27     -15.6036      1.00000
     28     -15.2508      1.00000
     29     -15.2397      1.00000
     30     -15.1804      1.00000
     31     -15.0942      1.00000
     32     -15.0671      1.00000
     33     -14.6984      1.00000
     34     -14.6932      1.00000
     35     -13.7269      1.00000
     36     -13.7208      1.00000
     37     -13.2320      1.00000
     38     -12.6127      1.00000
     39     -12.5825      1.00000
     40     -12.4512      1.00000
     41     -12.4450      1.00000
     42     -12.1094      1.00000
     43     -12.1036      1.00000
     44     -11.7169      1.00000
     45     -11.6862      1.00000
     46     -11.2367      1.00000
     47     -11.2247      1.00000
     48     -11.0158      1.00000
     49     -11.0046      1.00000
     50     -10.9253      1.00000
     51     -10.9040      1.00000
     52     -10.6239      1.00000
     53     -10.1524      1.00000
     54     -10.1477      1.00000
     55     -10.0889      1.00000
     56      -9.9933      1.00000
     57      -9.7022      1.00000
     58      -9.6902      1.00000
     59      -9.6527      1.00000
     60      -9.5885      1.00000
     61      -9.5802      1.00000
     62      -9.5562      1.00000
     63      -9.3070      1.00000
     64      -9.2978      1.00000
     65      -9.2714      1.00000
     66      -9.2378      1.00000
     67      -9.1321      1.00000
     68      -9.1137      1.00000
     69      -9.1074      1.00000
     70      -8.9355      1.00000
     71      -8.8743      1.00000
     72      -8.6072      1.00000
     73      -8.5919      1.00000
     74      -8.2365      1.00000
     75      -8.0987      1.00000
     76      -7.9064      1.00000
     77      -7.8664      1.00000
     78      -7.7709      1.00000
     79      -7.7551      1.00000
     80      -7.6926      1.00000
     81      -7.5516      1.00000
     82      -7.3382      1.00000
     83      -7.3212      1.00000
     84      -7.2032      1.00000
     85      -7.1195      1.00000
     86      -7.0299      1.00000
     87      -7.0161      1.00000
     88      -6.7019      1.00000
     89      -6.6771      1.00000
     90      -6.6387      1.00000
     91      -6.5957      1.00000
     92      -6.1149      1.00000
     93      -6.0619      1.00000
     94      -6.0329      1.00000
     95      -6.0109      1.00000
     96      -5.7809      1.00000
     97      -4.9681      1.00000
     98      -4.8311      1.00000
     99      -4.7455      1.00000
    100      -4.6777      1.00000
    101      -4.4622      1.00000
    102      -4.1990      1.00000
    103      -4.1710      1.00000
    104      -4.1273      1.00000
    105      -3.7249      1.00000
    106      -3.4801      1.00000
    107      -1.8705      0.00000
    108      -1.8132      0.00000
    109      -1.5243      0.00000
    110      -1.3819      0.00000
    111      -1.3239      0.00000
    112      -1.2902      0.00000
    113      -0.7203      0.00000
    114      -0.3779      0.00000
    115      -0.2563      0.00000
    116       0.0326      0.00000
    117       0.5627      0.00000
    118       0.6946      0.00000
    119       0.7444      0.00000
    120       1.0458      0.00000
    121       1.0956      0.00000
    122       1.1524      0.00000
    123       1.2261      0.00000
    124       1.3857      0.00000
    125       1.5298      0.00000
    126       1.5985      0.00000
    127       1.7211      0.00000
    128       1.7937      0.00000
    129       1.8519      0.00000
    130       1.8791      0.00000
    131       2.0969      0.00000
    132       2.2030      0.00000
    133       2.2473      0.00000
    134       2.3207      0.00000
    135       2.5236      0.00000
    136       2.6021      0.00000
    137       2.6091      0.00000
    138       2.7756      0.00000
    139       2.7876      0.00000
    140       2.8180      0.00000
    141       2.8196      0.00000
    142       2.8992      0.00000
    143       2.9343      0.00000
    144       3.1043      0.00000
    145       3.1663      0.00000
    146       3.3176      0.00000
    147       3.3425      0.00000
    148       3.3981      0.00000
    149       3.4634      0.00000
    150       3.5966      0.00000
    151       3.6369      0.00000
    152       3.6530      0.00000
    153       3.7052      0.00000
    154       3.9162      0.00000
    155       3.9661      0.00000
    156       4.0237      0.00000
    157       4.0733      0.00000
    158       4.2340      0.00000
    159       4.2506      0.00000
    160       4.2854      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2779      1.00000
      2     -22.0722      1.00000
      3     -21.7113      1.00000
      4     -21.6795      1.00000
      5     -20.9744      1.00000
      6     -20.9336      1.00000
      7     -20.6067      1.00000
      8     -20.5702      1.00000
      9     -20.5637      1.00000
     10     -20.0274      1.00000
     11     -19.4997      1.00000
     12     -19.4882      1.00000
     13     -19.3031      1.00000
     14     -19.2978      1.00000
     15     -18.4436      1.00000
     16     -18.4065      1.00000
     17     -17.9188      1.00000
     18     -17.9103      1.00000
     19     -17.7579      1.00000
     20     -17.7217      1.00000
     21     -17.4327      1.00000
     22     -17.4263      1.00000
     23     -17.3372      1.00000
     24     -16.4616      1.00000
     25     -16.4611      1.00000
     26     -15.9618      1.00000
     27     -15.4133      1.00000
     28     -15.4054      1.00000
     29     -15.0961      1.00000
     30     -15.0897      1.00000
     31     -14.8533      1.00000
     32     -14.8450      1.00000
     33     -14.2873      1.00000
     34     -14.2542      1.00000
     35     -13.4343      1.00000
     36     -13.4017      1.00000
     37     -13.1778      1.00000
     38     -13.1714      1.00000
     39     -12.9771      1.00000
     40     -12.9715      1.00000
     41     -12.6134      1.00000
     42     -12.6076      1.00000
     43     -12.1943      1.00000
     44     -11.5761      1.00000
     45     -11.5426      1.00000
     46     -11.3095      1.00000
     47     -11.2873      1.00000
     48     -11.1388      1.00000
     49     -10.6770      1.00000
     50     -10.6596      1.00000
     51     -10.5472      1.00000
     52     -10.3204      1.00000
     53     -10.3140      1.00000
     54     -10.1665      1.00000
     55     -10.1163      1.00000
     56     -10.1122      1.00000
     57      -9.7942      1.00000
     58      -9.7575      1.00000
     59      -9.7521      1.00000
     60      -9.7013      1.00000
     61      -9.6906      1.00000
     62      -9.6573      1.00000
     63      -9.3536      1.00000
     64      -9.3471      1.00000
     65      -9.3176      1.00000
     66      -9.0370      1.00000
     67      -8.9570      1.00000
     68      -8.9504      1.00000
     69      -8.7949      1.00000
     70      -8.5956      1.00000
     71      -8.5562      1.00000
     72      -8.3940      1.00000
     73      -8.3609      1.00000
     74      -8.3253      1.00000
     75      -8.3056      1.00000
     76      -8.2612      1.00000
     77      -8.2567      1.00000
     78      -8.2386      1.00000
     79      -7.9052      1.00000
     80      -7.6493      1.00000
     81      -7.5407      1.00000
     82      -7.3849      1.00000
     83      -7.3477      1.00000
     84      -7.2293      1.00000
     85      -7.0962      1.00000
     86      -7.0359      1.00000
     87      -6.9325      1.00000
     88      -6.8451      1.00000
     89      -6.6165      1.00000
     90      -6.5576      1.00000
     91      -6.2738      1.00000
     92      -6.0409      1.00000
     93      -5.9494      1.00000
     94      -5.6601      1.00000
     95      -5.6223      1.00000
     96      -5.4597      1.00000
     97      -5.3171      1.00000
     98      -5.2778      1.00000
     99      -5.2117      1.00000
    100      -5.1939      1.00000
    101      -4.4997      1.00000
    102      -4.2025      1.00000
    103      -4.0559      1.00000
    104      -3.9893      1.00000
    105      -3.6909      1.00000
    106      -3.4903      1.00000
    107      -1.9475      0.00000
    108      -1.8999      0.00000
    109      -1.3367      0.00000
    110      -1.0871      0.00000
    111      -1.0630      0.00000
    112      -0.8024      0.00000
    113      -0.6838      0.00000
    114      -0.6486      0.00000
    115      -0.6100      0.00000
    116      -0.1118      0.00000
    117       0.2119      0.00000
    118       0.3246      0.00000
    119       0.7045      0.00000
    120       0.8928      0.00000
    121       1.1230      0.00000
    122       1.1959      0.00000
    123       1.3331      0.00000
    124       1.4304      0.00000
    125       1.5532      0.00000
    126       1.5741      0.00000
    127       1.6969      0.00000
    128       1.8080      0.00000
    129       1.8863      0.00000
    130       2.0556      0.00000
    131       2.1018      0.00000
    132       2.2975      0.00000
    133       2.3503      0.00000
    134       2.4161      0.00000
    135       2.5624      0.00000
    136       2.6372      0.00000
    137       2.7150      0.00000
    138       2.7406      0.00000
    139       2.7884      0.00000
    140       2.8807      0.00000
    141       3.0439      0.00000
    142       3.0647      0.00000
    143       3.1788      0.00000
    144       3.2723      0.00000
    145       3.3689      0.00000
    146       3.4228      0.00000
    147       3.4443      0.00000
    148       3.5569      0.00000
    149       3.5762      0.00000
    150       3.5988      0.00000
    151       3.6565      0.00000
    152       3.6824      0.00000
    153       3.7630      0.00000
    154       3.7711      0.00000
    155       3.8111      0.00000
    156       3.8959      0.00000
    157       3.9340      0.00000
    158       4.0032      0.00000
    159       4.2193      0.00000
    160       4.2323      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3118      1.00000
      2     -21.9573      1.00000
      3     -21.8880      1.00000
      4     -21.3758      1.00000
      5     -21.3470      1.00000
      6     -20.8341      1.00000
      7     -20.7687      1.00000
      8     -20.6185      1.00000
      9     -20.0738      1.00000
     10     -20.0684      1.00000
     11     -19.7118      1.00000
     12     -19.6876      1.00000
     13     -18.9928      1.00000
     14     -18.9872      1.00000
     15     -18.6382      1.00000
     16     -18.6229      1.00000
     17     -18.4566      1.00000
     18     -17.6705      1.00000
     19     -17.6208      1.00000
     20     -17.6174      1.00000
     21     -17.5750      1.00000
     22     -17.1248      1.00000
     23     -17.1034      1.00000
     24     -16.9626      1.00000
     25     -16.0025      1.00000
     26     -15.9272      1.00000
     27     -15.5812      1.00000
     28     -15.5811      1.00000
     29     -15.2850      1.00000
     30     -14.8612      1.00000
     31     -14.8345      1.00000
     32     -14.5751      1.00000
     33     -14.5327      1.00000
     34     -14.1701      1.00000
     35     -14.1557      1.00000
     36     -13.1477      1.00000
     37     -13.0943      1.00000
     38     -13.0248      1.00000
     39     -13.0156      1.00000
     40     -12.7051      1.00000
     41     -12.7012      1.00000
     42     -12.3404      1.00000
     43     -12.3082      1.00000
     44     -11.6383      1.00000
     45     -11.6255      1.00000
     46     -11.5710      1.00000
     47     -10.9500      1.00000
     48     -10.9166      1.00000
     49     -10.6272      1.00000
     50     -10.6219      1.00000
     51     -10.5437      1.00000
     52     -10.5004      1.00000
     53     -10.4995      1.00000
     54     -10.4381      1.00000
     55     -10.3527      1.00000
     56     -10.0940      1.00000
     57      -9.8987      1.00000
     58      -9.6014      1.00000
     59      -9.5482      1.00000
     60      -9.4515      1.00000
     61      -9.4138      1.00000
     62      -9.4030      1.00000
     63      -9.3723      1.00000
     64      -9.3712      1.00000
     65      -9.2833      1.00000
     66      -9.1721      1.00000
     67      -9.1477      1.00000
     68      -9.1162      1.00000
     69      -8.8664      1.00000
     70      -8.8599      1.00000
     71      -8.8122      1.00000
     72      -8.5926      1.00000
     73      -8.4764      1.00000
     74      -8.2012      1.00000
     75      -8.1659      1.00000
     76      -8.0100      1.00000
     77      -7.9560      1.00000
     78      -7.8458      1.00000
     79      -7.8355      1.00000
     80      -7.7050      1.00000
     81      -7.6949      1.00000
     82      -7.6224      1.00000
     83      -7.4424      1.00000
     84      -7.3027      1.00000
     85      -7.2453      1.00000
     86      -6.9082      1.00000
     87      -6.8957      1.00000
     88      -6.5875      1.00000
     89      -6.5488      1.00000
     90      -6.4028      1.00000
     91      -6.2535      1.00000
     92      -6.2317      1.00000
     93      -6.2113      1.00000
     94      -6.0198      1.00000
     95      -5.5473      1.00000
     96      -5.4863      1.00000
     97      -5.3466      1.00000
     98      -5.2176      1.00000
     99      -4.9799      1.00000
    100      -4.7283      1.00000
    101      -4.6763      1.00000
    102      -4.3833      1.00000
    103      -4.1978      1.00000
    104      -3.8648      1.00000
    105      -3.5466      1.00000
    106      -3.5016      1.00000
    107      -2.2594      0.00000
    108      -1.4548      0.00000
    109      -1.3767      0.00000
    110      -1.2451      0.00000
    111      -1.0980      0.00000
    112      -0.9459      0.00000
    113      -0.8654      0.00000
    114      -0.8060      0.00000
    115      -0.1436      0.00000
    116       0.1025      0.00000
    117       0.2348      0.00000
    118       0.3730      0.00000
    119       0.6634      0.00000
    120       0.8336      0.00000
    121       0.9333      0.00000
    122       1.0681      0.00000
    123       1.2458      0.00000
    124       1.4481      0.00000
    125       1.5724      0.00000
    126       1.7634      0.00000
    127       1.7887      0.00000
    128       1.8607      0.00000
    129       1.9918      0.00000
    130       2.0372      0.00000
    131       2.1822      0.00000
    132       2.1935      0.00000
    133       2.4113      0.00000
    134       2.4272      0.00000
    135       2.5001      0.00000
    136       2.5969      0.00000
    137       2.6279      0.00000
    138       2.7099      0.00000
    139       2.7749      0.00000
    140       2.8510      0.00000
    141       2.9670      0.00000
    142       3.0837      0.00000
    143       3.1699      0.00000
    144       3.2062      0.00000
    145       3.2370      0.00000
    146       3.3111      0.00000
    147       3.3305      0.00000
    148       3.4742      0.00000
    149       3.5189      0.00000
    150       3.6953      0.00000
    151       3.7271      0.00000
    152       3.7322      0.00000
    153       3.8667      0.00000
    154       3.9024      0.00000
    155       3.9478      0.00000
    156       3.9718      0.00000
    157       3.9846      0.00000
    158       4.0380      0.00000
    159       4.0488      0.00000
    160       4.0525      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2051      1.00000
      2     -22.1116      1.00000
      3     -21.9513      1.00000
      4     -21.3993      1.00000
      5     -21.0443      1.00000
      6     -21.0090      1.00000
      7     -20.4956      1.00000
      8     -20.4568      1.00000
      9     -20.2894      1.00000
     10     -20.2706      1.00000
     11     -19.9539      1.00000
     12     -19.8875      1.00000
     13     -18.8797      1.00000
     14     -18.8103      1.00000
     15     -18.3482      1.00000
     16     -18.3030      1.00000
     17     -18.1494      1.00000
     18     -18.1327      1.00000
     19     -17.8225      1.00000
     20     -17.7859      1.00000
     21     -17.2486      1.00000
     22     -17.2415      1.00000
     23     -17.1614      1.00000
     24     -17.1313      1.00000
     25     -16.1047      1.00000
     26     -15.8830      1.00000
     27     -15.8668      1.00000
     28     -15.8337      1.00000
     29     -15.2345      1.00000
     30     -14.5541      1.00000
     31     -14.5260      1.00000
     32     -14.2789      1.00000
     33     -13.9613      1.00000
     34     -13.9524      1.00000
     35     -13.8191      1.00000
     36     -13.8026      1.00000
     37     -13.6130      1.00000
     38     -13.5698      1.00000
     39     -13.3645      1.00000
     40     -12.6299      1.00000
     41     -12.1805      1.00000
     42     -12.1327      1.00000
     43     -12.0708      1.00000
     44     -12.0172      1.00000
     45     -11.6664      1.00000
     46     -11.6533      1.00000
     47     -11.1400      1.00000
     48     -11.1189      1.00000
     49     -10.7961      1.00000
     50     -10.7311      1.00000
     51     -10.5215      1.00000
     52     -10.2070      1.00000
     53     -10.2013      1.00000
     54     -10.1597      1.00000
     55     -10.0154      1.00000
     56      -9.9996      1.00000
     57      -9.9872      1.00000
     58      -9.8025      1.00000
     59      -9.7913      1.00000
     60      -9.7645      1.00000
     61      -9.7568      1.00000
     62      -9.4564      1.00000
     63      -9.4129      1.00000
     64      -9.0776      1.00000
     65      -9.0689      1.00000
     66      -9.0395      1.00000
     67      -8.9564      1.00000
     68      -8.8733      1.00000
     69      -8.7110      1.00000
     70      -8.6965      1.00000
     71      -8.5675      1.00000
     72      -8.5456      1.00000
     73      -8.4972      1.00000
     74      -8.4593      1.00000
     75      -8.4555      1.00000
     76      -8.2563      1.00000
     77      -8.1218      1.00000
     78      -8.0392      1.00000
     79      -7.9142      1.00000
     80      -7.8597      1.00000
     81      -7.6148      1.00000
     82      -7.5482      1.00000
     83      -7.4941      1.00000
     84      -7.2595      1.00000
     85      -6.9936      1.00000
     86      -6.9232      1.00000
     87      -6.8811      1.00000
     88      -6.5359      1.00000
     89      -6.4897      1.00000
     90      -6.4604      1.00000
     91      -6.4088      1.00000
     92      -5.9808      1.00000
     93      -5.8954      1.00000
     94      -5.7819      1.00000
     95      -5.7591      1.00000
     96      -5.4283      1.00000
     97      -5.3275      1.00000
     98      -5.2287      1.00000
     99      -5.2156      1.00000
    100      -5.1888      1.00000
    101      -4.6891      1.00000
    102      -4.4160      1.00000
    103      -4.2041      1.00000
    104      -3.8267      1.00000
    105      -3.5209      1.00000
    106      -3.2754      1.00000
    107      -2.5332      0.00000
    108      -1.4559      0.00000
    109      -1.2708      0.00000
    110      -1.2054      0.00000
    111      -1.1758      0.00000
    112      -0.7216      0.00000
    113      -0.5069      0.00000
    114      -0.4158      0.00000
    115      -0.3440      0.00000
    116      -0.1493      0.00000
    117      -0.0056      0.00000
    118       0.1894      0.00000
    119       0.5556      0.00000
    120       0.6090      0.00000
    121       0.8065      0.00000
    122       0.9143      0.00000
    123       1.1422      0.00000
    124       1.5063      0.00000
    125       1.6413      0.00000
    126       1.8731      0.00000
    127       1.9402      0.00000
    128       2.1003      0.00000
    129       2.1182      0.00000
    130       2.1303      0.00000
    131       2.1658      0.00000
    132       2.2745      0.00000
    133       2.3106      0.00000
    134       2.4528      0.00000
    135       2.5776      0.00000
    136       2.6661      0.00000
    137       2.8599      0.00000
    138       2.8689      0.00000
    139       2.9046      0.00000
    140       3.0028      0.00000
    141       3.0256      0.00000
    142       3.1444      0.00000
    143       3.1526      0.00000
    144       3.2245      0.00000
    145       3.2735      0.00000
    146       3.2851      0.00000
    147       3.3094      0.00000
    148       3.3537      0.00000
    149       3.4373      0.00000
    150       3.4592      0.00000
    151       3.5634      0.00000
    152       3.6202      0.00000
    153       3.6683      0.00000
    154       3.7110      0.00000
    155       3.7886      0.00000
    156       3.9048      0.00000
    157       3.9334      0.00000
    158       4.0119      0.00000
    159       4.1544      0.00000
    160       4.2383      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3117      1.00000
      2     -21.9589      1.00000
      3     -21.8864      1.00000
      4     -21.3788      1.00000
      5     -21.3430      1.00000
      6     -20.8349      1.00000
      7     -20.7681      1.00000
      8     -20.6206      1.00000
      9     -20.0843      1.00000
     10     -20.0561      1.00000
     11     -19.7139      1.00000
     12     -19.6857      1.00000
     13     -19.0054      1.00000
     14     -18.9749      1.00000
     15     -18.6447      1.00000
     16     -18.6129      1.00000
     17     -18.4580      1.00000
     18     -17.6579      1.00000
     19     -17.6458      1.00000
     20     -17.6085      1.00000
     21     -17.5755      1.00000
     22     -17.1338      1.00000
     23     -17.0947      1.00000
     24     -16.9624      1.00000
     25     -16.0055      1.00000
     26     -15.9179      1.00000
     27     -15.5962      1.00000
     28     -15.5723      1.00000
     29     -15.2776      1.00000
     30     -14.8740      1.00000
     31     -14.8273      1.00000
     32     -14.5748      1.00000
     33     -14.5357      1.00000
     34     -14.1603      1.00000
     35     -14.1554      1.00000
     36     -13.1612      1.00000
     37     -13.0941      1.00000
     38     -13.0232      1.00000
     39     -13.0176      1.00000
     40     -12.7178      1.00000
     41     -12.6943      1.00000
     42     -12.3374      1.00000
     43     -12.3083      1.00000
     44     -11.6285      1.00000
     45     -11.6198      1.00000
     46     -11.5663      1.00000
     47     -10.9388      1.00000
     48     -10.9184      1.00000
     49     -10.6649      1.00000
     50     -10.5918      1.00000
     51     -10.5701      1.00000
     52     -10.4957      1.00000
     53     -10.4867      1.00000
     54     -10.4400      1.00000
     55     -10.3576      1.00000
     56     -10.0983      1.00000
     57      -9.8930      1.00000
     58      -9.6112      1.00000
     59      -9.5524      1.00000
     60      -9.4502      1.00000
     61      -9.4128      1.00000
     62      -9.4084      1.00000
     63      -9.3814      1.00000
     64      -9.3730      1.00000
     65      -9.2630      1.00000
     66      -9.1631      1.00000
     67      -9.1395      1.00000
     68      -9.1135      1.00000
     69      -8.8656      1.00000
     70      -8.8546      1.00000
     71      -8.7991      1.00000
     72      -8.5925      1.00000
     73      -8.5224      1.00000
     74      -8.1923      1.00000
     75      -8.1678      1.00000
     76      -8.0756      1.00000
     77      -7.8602      1.00000
     78      -7.8383      1.00000
     79      -7.8199      1.00000
     80      -7.7125      1.00000
     81      -7.6969      1.00000
     82      -7.5981      1.00000
     83      -7.5225      1.00000
     84      -7.3488      1.00000
     85      -7.1632      1.00000
     86      -6.9059      1.00000
     87      -6.8947      1.00000
     88      -6.5903      1.00000
     89      -6.5499      1.00000
     90      -6.4100      1.00000
     91      -6.2993      1.00000
     92      -6.2453      1.00000
     93      -6.2000      1.00000
     94      -6.0024      1.00000
     95      -5.5290      1.00000
     96      -5.4656      1.00000
     97      -5.3124      1.00000
     98      -5.2091      1.00000
     99      -5.0434      1.00000
    100      -4.7197      1.00000
    101      -4.6702      1.00000
    102      -4.4179      1.00000
    103      -4.1902      1.00000
    104      -3.8359      1.00000
    105      -3.6306      1.00000
    106      -3.4127      1.00000
    107      -2.2937      0.00000
    108      -1.5082      0.00000
    109      -1.2728      0.00000
    110      -1.2660      0.00000
    111      -1.0354      0.00000
    112      -0.9840      0.00000
    113      -0.8712      0.00000
    114      -0.8037      0.00000
    115      -0.2637      0.00000
    116       0.2019      0.00000
    117       0.2360      0.00000
    118       0.3563      0.00000
    119       0.6988      0.00000
    120       0.8889      0.00000
    121       0.9208      0.00000
    122       1.0477      0.00000
    123       1.1728      0.00000
    124       1.5156      0.00000
    125       1.5798      0.00000
    126       1.7113      0.00000
    127       1.7751      0.00000
    128       1.8251      0.00000
    129       1.9512      0.00000
    130       2.0078      0.00000
    131       2.1687      0.00000
    132       2.2807      0.00000
    133       2.4137      0.00000
    134       2.4328      0.00000
    135       2.4964      0.00000
    136       2.5983      0.00000
    137       2.6145      0.00000
    138       2.7137      0.00000
    139       2.7529      0.00000
    140       2.8769      0.00000
    141       3.0484      0.00000
    142       3.0838      0.00000
    143       3.1733      0.00000
    144       3.2215      0.00000
    145       3.2366      0.00000
    146       3.2967      0.00000
    147       3.3462      0.00000
    148       3.4628      0.00000
    149       3.5387      0.00000
    150       3.6994      0.00000
    151       3.7156      0.00000
    152       3.7617      0.00000
    153       3.8349      0.00000
    154       3.8810      0.00000
    155       3.9383      0.00000
    156       3.9786      0.00000
    157       3.9893      0.00000
    158       4.0224      0.00000
    159       4.0324      0.00000
    160       4.1035      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3838      1.00000
      2     -21.8256      1.00000
      3     -21.6351      1.00000
      4     -21.6011      1.00000
      5     -21.2732      1.00000
      6     -21.2268      1.00000
      7     -21.0517      1.00000
      8     -20.1669      1.00000
      9     -20.1215      1.00000
     10     -19.6109      1.00000
     11     -19.5853      1.00000
     12     -19.4127      1.00000
     13     -19.0905      1.00000
     14     -19.0514      1.00000
     15     -19.0473      1.00000
     16     -19.0353      1.00000
     17     -18.3623      1.00000
     18     -18.3429      1.00000
     19     -18.0156      1.00000
     20     -17.0713      1.00000
     21     -17.0236      1.00000
     22     -16.9469      1.00000
     23     -16.9333      1.00000
     24     -16.4703      1.00000
     25     -16.4587      1.00000
     26     -15.6040      1.00000
     27     -15.6034      1.00000
     28     -15.2478      1.00000
     29     -15.2358      1.00000
     30     -15.1913      1.00000
     31     -15.1006      1.00000
     32     -15.0679      1.00000
     33     -14.6936      1.00000
     34     -14.6927      1.00000
     35     -13.7214      1.00000
     36     -13.7213      1.00000
     37     -13.2374      1.00000
     38     -12.6251      1.00000
     39     -12.5812      1.00000
     40     -12.4532      1.00000
     41     -12.4480      1.00000
     42     -12.1035      1.00000
     43     -12.0985      1.00000
     44     -11.7138      1.00000
     45     -11.6758      1.00000
     46     -11.2440      1.00000
     47     -11.2231      1.00000
     48     -11.0181      1.00000
     49     -11.0068      1.00000
     50     -10.9221      1.00000
     51     -10.8938      1.00000
     52     -10.6301      1.00000
     53     -10.1721      1.00000
     54     -10.1495      1.00000
     55     -10.0897      1.00000
     56      -9.9862      1.00000
     57      -9.6954      1.00000
     58      -9.6880      1.00000
     59      -9.6663      1.00000
     60      -9.5892      1.00000
     61      -9.5658      1.00000
     62      -9.5488      1.00000
     63      -9.3136      1.00000
     64      -9.3028      1.00000
     65      -9.2793      1.00000
     66      -9.2352      1.00000
     67      -9.1193      1.00000
     68      -9.1140      1.00000
     69      -9.1117      1.00000
     70      -8.9356      1.00000
     71      -8.8677      1.00000
     72      -8.6020      1.00000
     73      -8.5844      1.00000
     74      -8.2696      1.00000
     75      -8.1072      1.00000
     76      -7.8618      1.00000
     77      -7.8409      1.00000
     78      -7.7886      1.00000
     79      -7.7679      1.00000
     80      -7.7584      1.00000
     81      -7.4369      1.00000
     82      -7.3381      1.00000
     83      -7.3263      1.00000
     84      -7.2620      1.00000
     85      -7.1629      1.00000
     86      -7.0097      1.00000
     87      -6.9844      1.00000
     88      -6.7143      1.00000
     89      -6.6896      1.00000
     90      -6.6302      1.00000
     91      -6.5883      1.00000
     92      -6.1242      1.00000
     93      -6.0550      1.00000
     94      -6.0432      1.00000
     95      -6.0257      1.00000
     96      -5.7478      1.00000
     97      -4.9688      1.00000
     98      -4.8373      1.00000
     99      -4.7089      1.00000
    100      -4.6738      1.00000
    101      -4.4781      1.00000
    102      -4.3450      1.00000
    103      -4.1106      1.00000
    104      -4.0539      1.00000
    105      -3.7498      1.00000
    106      -3.4585      1.00000
    107      -1.9500      0.00000
    108      -1.7733      0.00000
    109      -1.4819      0.00000
    110      -1.3566      0.00000
    111      -1.3407      0.00000
    112      -1.2965      0.00000
    113      -0.6844      0.00000
    114      -0.4731      0.00000
    115      -0.2366      0.00000
    116       0.0479      0.00000
    117       0.5977      0.00000
    118       0.6906      0.00000
    119       0.7661      0.00000
    120       1.0157      0.00000
    121       1.0922      0.00000
    122       1.1731      0.00000
    123       1.2521      0.00000
    124       1.3401      0.00000
    125       1.4498      0.00000
    126       1.6116      0.00000
    127       1.7461      0.00000
    128       1.8450      0.00000
    129       1.8516      0.00000
    130       1.8923      0.00000
    131       2.0358      0.00000
    132       2.2263      0.00000
    133       2.2523      0.00000
    134       2.3071      0.00000
    135       2.4846      0.00000
    136       2.5919      0.00000
    137       2.6364      0.00000
    138       2.7750      0.00000
    139       2.7800      0.00000
    140       2.8281      0.00000
    141       2.8338      0.00000
    142       2.8446      0.00000
    143       2.9250      0.00000
    144       3.1116      0.00000
    145       3.3171      0.00000
    146       3.3397      0.00000
    147       3.3719      0.00000
    148       3.4036      0.00000
    149       3.4210      0.00000
    150       3.5792      0.00000
    151       3.6231      0.00000
    152       3.6737      0.00000
    153       3.7334      0.00000
    154       3.8984      0.00000
    155       3.9371      0.00000
    156       3.9522      0.00000
    157       4.1149      0.00000
    158       4.2077      0.00000
    159       4.2489      0.00000
    160       4.2854      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2043      1.00000
      2     -22.1132      1.00000
      3     -21.9506      1.00000
      4     -21.3987      1.00000
      5     -21.0409      1.00000
      6     -21.0130      1.00000
      7     -20.4909      1.00000
      8     -20.4615      1.00000
      9     -20.2822      1.00000
     10     -20.2803      1.00000
     11     -19.9512      1.00000
     12     -19.8878      1.00000
     13     -18.8779      1.00000
     14     -18.8102      1.00000
     15     -18.3355      1.00000
     16     -18.3168      1.00000
     17     -18.1454      1.00000
     18     -18.1378      1.00000
     19     -17.8136      1.00000
     20     -17.7959      1.00000
     21     -17.2546      1.00000
     22     -17.2353      1.00000
     23     -17.1612      1.00000
     24     -17.1302      1.00000
     25     -16.1140      1.00000
     26     -15.8748      1.00000
     27     -15.8640      1.00000
     28     -15.8363      1.00000
     29     -15.2312      1.00000
     30     -14.5456      1.00000
     31     -14.5276      1.00000
     32     -14.2756      1.00000
     33     -13.9762      1.00000
     34     -13.9519      1.00000
     35     -13.8251      1.00000
     36     -13.8021      1.00000
     37     -13.6012      1.00000
     38     -13.5765      1.00000
     39     -13.3659      1.00000
     40     -12.6363      1.00000
     41     -12.1660      1.00000
     42     -12.1399      1.00000
     43     -12.0624      1.00000
     44     -12.0148      1.00000
     45     -11.6683      1.00000
     46     -11.6637      1.00000
     47     -11.1330      1.00000
     48     -11.1224      1.00000
     49     -10.7833      1.00000
     50     -10.7265      1.00000
     51     -10.5286      1.00000
     52     -10.2102      1.00000
     53     -10.2040      1.00000
     54     -10.1656      1.00000
     55     -10.0218      1.00000
     56      -9.9906      1.00000
     57      -9.9902      1.00000
     58      -9.8070      1.00000
     59      -9.7979      1.00000
     60      -9.7648      1.00000
     61      -9.7565      1.00000
     62      -9.4463      1.00000
     63      -9.4121      1.00000
     64      -9.0849      1.00000
     65      -9.0472      1.00000
     66      -9.0230      1.00000
     67      -8.9665      1.00000
     68      -8.8938      1.00000
     69      -8.7106      1.00000
     70      -8.7017      1.00000
     71      -8.5532      1.00000
     72      -8.5429      1.00000
     73      -8.4761      1.00000
     74      -8.4594      1.00000
     75      -8.4557      1.00000
     76      -8.3026      1.00000
     77      -8.0909      1.00000
     78      -8.0875      1.00000
     79      -7.9294      1.00000
     80      -7.8314      1.00000
     81      -7.5965      1.00000
     82      -7.5338      1.00000
     83      -7.4494      1.00000
     84      -7.3007      1.00000
     85      -6.9993      1.00000
     86      -6.9256      1.00000
     87      -6.8869      1.00000
     88      -6.5245      1.00000
     89      -6.5117      1.00000
     90      -6.4780      1.00000
     91      -6.4176      1.00000
     92      -5.9253      1.00000
     93      -5.9041      1.00000
     94      -5.7876      1.00000
     95      -5.7728      1.00000
     96      -5.3680      1.00000
     97      -5.3609      1.00000
     98      -5.2206      1.00000
     99      -5.2145      1.00000
    100      -5.1970      1.00000
    101      -4.7159      1.00000
    102      -4.4351      1.00000
    103      -4.1864      1.00000
    104      -3.8127      1.00000
    105      -3.5580      1.00000
    106      -3.2220      1.00000
    107      -2.5640      0.00000
    108      -1.4612      0.00000
    109      -1.2737      0.00000
    110      -1.1877      0.00000
    111      -1.1846      0.00000
    112      -0.6472      0.00000
    113      -0.5568      0.00000
    114      -0.4175      0.00000
    115      -0.3491      0.00000
    116      -0.0823      0.00000
    117      -0.0701      0.00000
    118       0.1225      0.00000
    119       0.5898      0.00000
    120       0.6244      0.00000
    121       0.8638      0.00000
    122       0.9968      0.00000
    123       1.0100      0.00000
    124       1.4988      0.00000
    125       1.6921      0.00000
    126       1.7928      0.00000
    127       1.8774      0.00000
    128       2.0971      0.00000
    129       2.1269      0.00000
    130       2.1786      0.00000
    131       2.2073      0.00000
    132       2.2449      0.00000
    133       2.3294      0.00000
    134       2.4865      0.00000
    135       2.5043      0.00000
    136       2.6769      0.00000
    137       2.8444      0.00000
    138       2.8550      0.00000
    139       2.9622      0.00000
    140       2.9878      0.00000
    141       3.0431      0.00000
    142       3.1473      0.00000
    143       3.1570      0.00000
    144       3.2462      0.00000
    145       3.2504      0.00000
    146       3.2803      0.00000
    147       3.3116      0.00000
    148       3.3635      0.00000
    149       3.4317      0.00000
    150       3.5634      0.00000
    151       3.5761      0.00000
    152       3.6526      0.00000
    153       3.6562      0.00000
    154       3.6711      0.00000
    155       3.7108      0.00000
    156       3.9085      0.00000
    157       3.9584      0.00000
    158       4.0473      0.00000
    159       4.0988      0.00000
    160       4.2028      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2776      1.00000
      2     -22.0731      1.00000
      3     -21.7139      1.00000
      4     -21.6756      1.00000
      5     -20.9774      1.00000
      6     -20.9303      1.00000
      7     -20.6063      1.00000
      8     -20.5750      1.00000
      9     -20.5612      1.00000
     10     -20.0286      1.00000
     11     -19.5074      1.00000
     12     -19.4780      1.00000
     13     -19.3058      1.00000
     14     -19.2930      1.00000
     15     -18.4469      1.00000
     16     -18.4044      1.00000
     17     -17.9235      1.00000
     18     -17.9036      1.00000
     19     -17.7641      1.00000
     20     -17.7198      1.00000
     21     -17.4382      1.00000
     22     -17.4201      1.00000
     23     -17.3385      1.00000
     24     -16.4659      1.00000
     25     -16.4559      1.00000
     26     -15.9687      1.00000
     27     -15.4054      1.00000
     28     -15.4046      1.00000
     29     -15.0909      1.00000
     30     -15.0877      1.00000
     31     -14.8526      1.00000
     32     -14.8407      1.00000
     33     -14.2981      1.00000
     34     -14.2547      1.00000
     35     -13.4452      1.00000
     36     -13.4016      1.00000
     37     -13.1722      1.00000
     38     -13.1708      1.00000
     39     -12.9826      1.00000
     40     -12.9738      1.00000
     41     -12.6085      1.00000
     42     -12.6063      1.00000
     43     -12.1998      1.00000
     44     -11.5720      1.00000
     45     -11.5315      1.00000
     46     -11.3064      1.00000
     47     -11.2766      1.00000
     48     -11.1458      1.00000
     49     -10.6884      1.00000
     50     -10.6606      1.00000
     51     -10.5420      1.00000
     52     -10.3235      1.00000
     53     -10.3162      1.00000
     54     -10.1703      1.00000
     55     -10.1186      1.00000
     56     -10.1059      1.00000
     57      -9.8072      1.00000
     58      -9.7530      1.00000
     59      -9.7520      1.00000
     60      -9.7042      1.00000
     61      -9.6999      1.00000
     62      -9.6421      1.00000
     63      -9.3537      1.00000
     64      -9.3526      1.00000
     65      -9.3100      1.00000
     66      -9.0246      1.00000
     67      -8.9627      1.00000
     68      -8.9575      1.00000
     69      -8.7717      1.00000
     70      -8.5846      1.00000
     71      -8.5832      1.00000
     72      -8.4195      1.00000
     73      -8.3467      1.00000
     74      -8.3208      1.00000
     75      -8.3041      1.00000
     76      -8.2650      1.00000
     77      -8.2523      1.00000
     78      -8.2340      1.00000
     79      -7.9223      1.00000
     80      -7.7340      1.00000
     81      -7.3836      1.00000
     82      -7.3535      1.00000
     83      -7.3118      1.00000
     84      -7.2230      1.00000
     85      -7.1563      1.00000
     86      -7.0650      1.00000
     87      -6.9571      1.00000
     88      -6.9044      1.00000
     89      -6.6087      1.00000
     90      -6.5637      1.00000
     91      -6.2666      1.00000
     92      -5.9947      1.00000
     93      -5.9585      1.00000
     94      -5.6729      1.00000
     95      -5.6462      1.00000
     96      -5.3860      1.00000
     97      -5.3145      1.00000
     98      -5.2932      1.00000
     99      -5.2110      1.00000
    100      -5.1992      1.00000
    101      -4.5034      1.00000
    102      -4.3309      1.00000
    103      -3.9944      1.00000
    104      -3.8842      1.00000
    105      -3.7876      1.00000
    106      -3.4372      1.00000
    107      -2.0346      0.00000
    108      -1.8661      0.00000
    109      -1.2174      0.00000
    110      -1.1905      0.00000
    111      -1.0366      0.00000
    112      -0.7737      0.00000
    113      -0.6826      0.00000
    114      -0.6608      0.00000
    115      -0.6143      0.00000
    116      -0.1063      0.00000
    117       0.2174      0.00000
    118       0.2350      0.00000
    119       0.7800      0.00000
    120       0.9920      0.00000
    121       1.0752      0.00000
    122       1.2402      0.00000
    123       1.2515      0.00000
    124       1.3476      0.00000
    125       1.5794      0.00000
    126       1.5821      0.00000
    127       1.7221      0.00000
    128       1.7917      0.00000
    129       1.9600      0.00000
    130       1.9878      0.00000
    131       2.0439      0.00000
    132       2.2564      0.00000
    133       2.3368      0.00000
    134       2.4329      0.00000
    135       2.5504      0.00000
    136       2.6327      0.00000
    137       2.7255      0.00000
    138       2.7936      0.00000
    139       2.8557      0.00000
    140       2.8638      0.00000
    141       3.0373      0.00000
    142       3.1116      0.00000
    143       3.1704      0.00000
    144       3.2267      0.00000
    145       3.3731      0.00000
    146       3.4197      0.00000
    147       3.5120      0.00000
    148       3.5516      0.00000
    149       3.5889      0.00000
    150       3.6046      0.00000
    151       3.6601      0.00000
    152       3.7386      0.00000
    153       3.7537      0.00000
    154       3.7596      0.00000
    155       3.7738      0.00000
    156       3.8786      0.00000
    157       4.0319      0.00000
    158       4.1005      0.00000
    159       4.1767      0.00000
    160       4.2256      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4205      1.00000
      2     -21.5976      1.00000
      3     -21.4766      1.00000
      4     -21.4676      1.00000
      5     -21.4349      1.00000
      6     -21.4344      1.00000
      7     -21.4241      1.00000
      8     -19.7023      1.00000
      9     -19.6487      1.00000
     10     -19.6246      1.00000
     11     -19.6149      1.00000
     12     -19.6079      1.00000
     13     -19.6078      1.00000
     14     -18.7845      1.00000
     15     -18.7516      1.00000
     16     -18.7299      1.00000
     17     -18.7211      1.00000
     18     -18.7160      1.00000
     19     -18.7090      1.00000
     20     -16.6318      1.00000
     21     -16.6092      1.00000
     22     -16.5845      1.00000
     23     -16.5783      1.00000
     24     -16.5529      1.00000
     25     -16.5492      1.00000
     26     -15.6122      1.00000
     27     -15.5974      1.00000
     28     -15.5947      1.00000
     29     -15.5600      1.00000
     30     -15.5597      1.00000
     31     -15.5589      1.00000
     32     -14.2587      1.00000
     33     -14.2483      1.00000
     34     -14.2370      1.00000
     35     -14.2309      1.00000
     36     -14.2200      1.00000
     37     -14.2187      1.00000
     38     -11.9055      1.00000
     39     -11.8791      1.00000
     40     -11.8669      1.00000
     41     -11.8643      1.00000
     42     -11.8451      1.00000
     43     -11.8437      1.00000
     44     -11.7707      1.00000
     45     -11.7647      1.00000
     46     -11.7344      1.00000
     47     -11.7262      1.00000
     48     -11.7214      1.00000
     49     -11.7177      1.00000
     50     -10.6693      1.00000
     51     -10.3861      1.00000
     52     -10.3805      1.00000
     53     -10.3733      1.00000
     54     -10.3683      1.00000
     55     -10.3527      1.00000
     56     -10.3515      1.00000
     57      -9.8981      1.00000
     58      -9.4451      1.00000
     59      -9.4016      1.00000
     60      -9.3580      1.00000
     61      -9.3572      1.00000
     62      -9.3496      1.00000
     63      -9.1450      1.00000
     64      -9.1227      1.00000
     65      -9.1150      1.00000
     66      -9.0826      1.00000
     67      -9.0745      1.00000
     68      -9.0738      1.00000
     69      -9.0724      1.00000
     70      -9.0648      1.00000
     71      -9.0569      1.00000
     72      -9.0354      1.00000
     73      -9.0301      1.00000
     74      -9.0264      1.00000
     75      -8.1339      1.00000
     76      -7.7311      1.00000
     77      -7.4697      1.00000
     78      -7.4673      1.00000
     79      -7.4521      1.00000
     80      -7.4326      1.00000
     81      -7.4279      1.00000
     82      -7.4065      1.00000
     83      -7.3092      1.00000
     84      -7.2681      1.00000
     85      -7.2541      1.00000
     86      -7.2464      1.00000
     87      -7.1542      1.00000
     88      -7.0435      1.00000
     89      -6.4446      1.00000
     90      -6.4124      1.00000
     91      -6.3976      1.00000
     92      -6.3629      1.00000
     93      -6.3515      1.00000
     94      -6.3388      1.00000
     95      -5.9655      1.00000
     96      -5.9544      1.00000
     97      -4.7967      1.00000
     98      -4.5406      1.00000
     99      -4.4815      1.00000
    100      -4.4703      1.00000
    101      -4.3827      1.00000
    102      -4.3810      1.00000
    103      -4.2656      1.00000
    104      -4.1842      1.00000
    105      -3.7342      1.00000
    106      -3.4701      1.00000
    107      -1.8601      0.00000
    108      -1.6761      0.00000
    109      -1.6262      0.00000
    110      -1.5923      0.00000
    111      -1.5796      0.00000
    112      -1.5775      0.00000
    113      -0.4294      0.00000
    114       0.1370      0.00000
    115       0.1910      0.00000
    116       0.2538      0.00000
    117       0.2610      0.00000
    118       0.2688      0.00000
    119       0.4718      0.00000
    120       0.5604      0.00000
    121       1.2554      0.00000
    122       1.2921      0.00000
    123       1.5438      0.00000
    124       1.7648      0.00000
    125       1.7839      0.00000
    126       1.7869      0.00000
    127       1.7880      0.00000
    128       1.8316      0.00000
    129       1.9537      0.00000
    130       1.9678      0.00000
    131       1.9680      0.00000
    132       1.9836      0.00000
    133       1.9902      0.00000
    134       2.0854      0.00000
    135       2.2684      0.00000
    136       2.3351      0.00000
    137       2.6375      0.00000
    138       2.6390      0.00000
    139       2.6701      0.00000
    140       2.7098      0.00000
    141       2.9411      0.00000
    142       3.0209      0.00000
    143       3.0289      0.00000
    144       3.0476      0.00000
    145       3.0482      0.00000
    146       3.0487      0.00000
    147       3.1020      0.00000
    148       3.2785      0.00000
    149       3.4441      0.00000
    150       3.5185      0.00000
    151       3.8083      0.00000
    152       3.9430      0.00000
    153       3.9461      0.00000
    154       3.9464      0.00000
    155       3.9529      0.00000
    156       4.0011      0.00000
    157       4.1934      0.00000
    158       4.2694      0.00000
    159       4.2834      0.00000
    160       4.2904      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3839      1.00000
      2     -21.8249      1.00000
      3     -21.6328      1.00000
      4     -21.6051      1.00000
      5     -21.2696      1.00000
      6     -21.2299      1.00000
      7     -21.0513      1.00000
      8     -20.1629      1.00000
      9     -20.1245      1.00000
     10     -19.6048      1.00000
     11     -19.5939      1.00000
     12     -19.4122      1.00000
     13     -19.0848      1.00000
     14     -19.0573      1.00000
     15     -19.0447      1.00000
     16     -19.0370      1.00000
     17     -18.3574      1.00000
     18     -18.3490      1.00000
     19     -18.0147      1.00000
     20     -17.0659      1.00000
     21     -17.0270      1.00000
     22     -16.9406      1.00000
     23     -16.9388      1.00000
     24     -16.4660      1.00000
     25     -16.4634      1.00000
     26     -15.6124      1.00000
     27     -15.6036      1.00000
     28     -15.2508      1.00000
     29     -15.2397      1.00000
     30     -15.1804      1.00000
     31     -15.0942      1.00000
     32     -15.0671      1.00000
     33     -14.6984      1.00000
     34     -14.6932      1.00000
     35     -13.7269      1.00000
     36     -13.7208      1.00000
     37     -13.2320      1.00000
     38     -12.6127      1.00000
     39     -12.5825      1.00000
     40     -12.4512      1.00000
     41     -12.4450      1.00000
     42     -12.1094      1.00000
     43     -12.1036      1.00000
     44     -11.7169      1.00000
     45     -11.6862      1.00000
     46     -11.2367      1.00000
     47     -11.2247      1.00000
     48     -11.0158      1.00000
     49     -11.0046      1.00000
     50     -10.9253      1.00000
     51     -10.9040      1.00000
     52     -10.6239      1.00000
     53     -10.1524      1.00000
     54     -10.1477      1.00000
     55     -10.0889      1.00000
     56      -9.9933      1.00000
     57      -9.7022      1.00000
     58      -9.6902      1.00000
     59      -9.6527      1.00000
     60      -9.5885      1.00000
     61      -9.5802      1.00000
     62      -9.5562      1.00000
     63      -9.3070      1.00000
     64      -9.2978      1.00000
     65      -9.2714      1.00000
     66      -9.2378      1.00000
     67      -9.1321      1.00000
     68      -9.1137      1.00000
     69      -9.1074      1.00000
     70      -8.9355      1.00000
     71      -8.8743      1.00000
     72      -8.6072      1.00000
     73      -8.5919      1.00000
     74      -8.2365      1.00000
     75      -8.0987      1.00000
     76      -7.9064      1.00000
     77      -7.8664      1.00000
     78      -7.7709      1.00000
     79      -7.7551      1.00000
     80      -7.6926      1.00000
     81      -7.5516      1.00000
     82      -7.3382      1.00000
     83      -7.3212      1.00000
     84      -7.2032      1.00000
     85      -7.1195      1.00000
     86      -7.0299      1.00000
     87      -7.0161      1.00000
     88      -6.7019      1.00000
     89      -6.6771      1.00000
     90      -6.6387      1.00000
     91      -6.5957      1.00000
     92      -6.1149      1.00000
     93      -6.0619      1.00000
     94      -6.0329      1.00000
     95      -6.0109      1.00000
     96      -5.7809      1.00000
     97      -4.9681      1.00000
     98      -4.8311      1.00000
     99      -4.7455      1.00000
    100      -4.6777      1.00000
    101      -4.4622      1.00000
    102      -4.1990      1.00000
    103      -4.1710      1.00000
    104      -4.1273      1.00000
    105      -3.7249      1.00000
    106      -3.4801      1.00000
    107      -1.8705      0.00000
    108      -1.8132      0.00000
    109      -1.5243      0.00000
    110      -1.3819      0.00000
    111      -1.3239      0.00000
    112      -1.2902      0.00000
    113      -0.7203      0.00000
    114      -0.3779      0.00000
    115      -0.2563      0.00000
    116       0.0326      0.00000
    117       0.5627      0.00000
    118       0.6946      0.00000
    119       0.7444      0.00000
    120       1.0458      0.00000
    121       1.0956      0.00000
    122       1.1524      0.00000
    123       1.2261      0.00000
    124       1.3857      0.00000
    125       1.5298      0.00000
    126       1.5985      0.00000
    127       1.7211      0.00000
    128       1.7936      0.00000
    129       1.8519      0.00000
    130       1.8791      0.00000
    131       2.0969      0.00000
    132       2.2030      0.00000
    133       2.2473      0.00000
    134       2.3207      0.00000
    135       2.5236      0.00000
    136       2.6021      0.00000
    137       2.6091      0.00000
    138       2.7756      0.00000
    139       2.7876      0.00000
    140       2.8180      0.00000
    141       2.8196      0.00000
    142       2.8992      0.00000
    143       2.9343      0.00000
    144       3.1043      0.00000
    145       3.1663      0.00000
    146       3.3176      0.00000
    147       3.3424      0.00000
    148       3.3980      0.00000
    149       3.4634      0.00000
    150       3.5966      0.00000
    151       3.6368      0.00000
    152       3.6529      0.00000
    153       3.7052      0.00000
    154       3.9162      0.00000
    155       3.9661      0.00000
    156       4.0237      0.00000
    157       4.0733      0.00000
    158       4.2340      0.00000
    159       4.2506      0.00000
    160       4.2854      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2779      1.00000
      2     -22.0722      1.00000
      3     -21.7113      1.00000
      4     -21.6795      1.00000
      5     -20.9744      1.00000
      6     -20.9336      1.00000
      7     -20.6067      1.00000
      8     -20.5702      1.00000
      9     -20.5637      1.00000
     10     -20.0274      1.00000
     11     -19.4997      1.00000
     12     -19.4882      1.00000
     13     -19.3031      1.00000
     14     -19.2978      1.00000
     15     -18.4436      1.00000
     16     -18.4065      1.00000
     17     -17.9188      1.00000
     18     -17.9103      1.00000
     19     -17.7579      1.00000
     20     -17.7217      1.00000
     21     -17.4327      1.00000
     22     -17.4263      1.00000
     23     -17.3372      1.00000
     24     -16.4616      1.00000
     25     -16.4611      1.00000
     26     -15.9618      1.00000
     27     -15.4133      1.00000
     28     -15.4054      1.00000
     29     -15.0961      1.00000
     30     -15.0897      1.00000
     31     -14.8533      1.00000
     32     -14.8450      1.00000
     33     -14.2873      1.00000
     34     -14.2542      1.00000
     35     -13.4343      1.00000
     36     -13.4017      1.00000
     37     -13.1778      1.00000
     38     -13.1714      1.00000
     39     -12.9771      1.00000
     40     -12.9715      1.00000
     41     -12.6134      1.00000
     42     -12.6076      1.00000
     43     -12.1943      1.00000
     44     -11.5761      1.00000
     45     -11.5426      1.00000
     46     -11.3095      1.00000
     47     -11.2873      1.00000
     48     -11.1388      1.00000
     49     -10.6770      1.00000
     50     -10.6596      1.00000
     51     -10.5472      1.00000
     52     -10.3204      1.00000
     53     -10.3140      1.00000
     54     -10.1665      1.00000
     55     -10.1163      1.00000
     56     -10.1122      1.00000
     57      -9.7942      1.00000
     58      -9.7575      1.00000
     59      -9.7521      1.00000
     60      -9.7013      1.00000
     61      -9.6906      1.00000
     62      -9.6573      1.00000
     63      -9.3536      1.00000
     64      -9.3471      1.00000
     65      -9.3176      1.00000
     66      -9.0370      1.00000
     67      -8.9570      1.00000
     68      -8.9504      1.00000
     69      -8.7949      1.00000
     70      -8.5956      1.00000
     71      -8.5562      1.00000
     72      -8.3940      1.00000
     73      -8.3609      1.00000
     74      -8.3253      1.00000
     75      -8.3056      1.00000
     76      -8.2612      1.00000
     77      -8.2567      1.00000
     78      -8.2386      1.00000
     79      -7.9052      1.00000
     80      -7.6493      1.00000
     81      -7.5407      1.00000
     82      -7.3849      1.00000
     83      -7.3477      1.00000
     84      -7.2293      1.00000
     85      -7.0962      1.00000
     86      -7.0359      1.00000
     87      -6.9325      1.00000
     88      -6.8451      1.00000
     89      -6.6165      1.00000
     90      -6.5576      1.00000
     91      -6.2738      1.00000
     92      -6.0409      1.00000
     93      -5.9494      1.00000
     94      -5.6601      1.00000
     95      -5.6223      1.00000
     96      -5.4597      1.00000
     97      -5.3171      1.00000
     98      -5.2778      1.00000
     99      -5.2117      1.00000
    100      -5.1939      1.00000
    101      -4.4997      1.00000
    102      -4.2025      1.00000
    103      -4.0559      1.00000
    104      -3.9893      1.00000
    105      -3.6909      1.00000
    106      -3.4903      1.00000
    107      -1.9475      0.00000
    108      -1.8999      0.00000
    109      -1.3367      0.00000
    110      -1.0871      0.00000
    111      -1.0630      0.00000
    112      -0.8024      0.00000
    113      -0.6838      0.00000
    114      -0.6486      0.00000
    115      -0.6100      0.00000
    116      -0.1118      0.00000
    117       0.2119      0.00000
    118       0.3246      0.00000
    119       0.7045      0.00000
    120       0.8928      0.00000
    121       1.1230      0.00000
    122       1.1959      0.00000
    123       1.3331      0.00000
    124       1.4304      0.00000
    125       1.5532      0.00000
    126       1.5741      0.00000
    127       1.6969      0.00000
    128       1.8080      0.00000
    129       1.8862      0.00000
    130       2.0556      0.00000
    131       2.1018      0.00000
    132       2.2975      0.00000
    133       2.3503      0.00000
    134       2.4161      0.00000
    135       2.5624      0.00000
    136       2.6372      0.00000
    137       2.7150      0.00000
    138       2.7406      0.00000
    139       2.7883      0.00000
    140       2.8806      0.00000
    141       3.0439      0.00000
    142       3.0647      0.00000
    143       3.1787      0.00000
    144       3.2723      0.00000
    145       3.3689      0.00000
    146       3.4228      0.00000
    147       3.4442      0.00000
    148       3.5569      0.00000
    149       3.5762      0.00000
    150       3.5987      0.00000
    151       3.6565      0.00000
    152       3.6824      0.00000
    153       3.7630      0.00000
    154       3.7711      0.00000
    155       3.8111      0.00000
    156       3.8959      0.00000
    157       3.9340      0.00000
    158       4.0032      0.00000
    159       4.2193      0.00000
    160       4.2323      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3118      1.00000
      2     -21.9573      1.00000
      3     -21.8880      1.00000
      4     -21.3758      1.00000
      5     -21.3470      1.00000
      6     -20.8341      1.00000
      7     -20.7687      1.00000
      8     -20.6185      1.00000
      9     -20.0738      1.00000
     10     -20.0684      1.00000
     11     -19.7118      1.00000
     12     -19.6876      1.00000
     13     -18.9928      1.00000
     14     -18.9872      1.00000
     15     -18.6382      1.00000
     16     -18.6229      1.00000
     17     -18.4566      1.00000
     18     -17.6705      1.00000
     19     -17.6208      1.00000
     20     -17.6174      1.00000
     21     -17.5750      1.00000
     22     -17.1248      1.00000
     23     -17.1034      1.00000
     24     -16.9626      1.00000
     25     -16.0025      1.00000
     26     -15.9272      1.00000
     27     -15.5812      1.00000
     28     -15.5811      1.00000
     29     -15.2850      1.00000
     30     -14.8612      1.00000
     31     -14.8345      1.00000
     32     -14.5751      1.00000
     33     -14.5327      1.00000
     34     -14.1701      1.00000
     35     -14.1557      1.00000
     36     -13.1477      1.00000
     37     -13.0943      1.00000
     38     -13.0248      1.00000
     39     -13.0156      1.00000
     40     -12.7051      1.00000
     41     -12.7012      1.00000
     42     -12.3404      1.00000
     43     -12.3082      1.00000
     44     -11.6383      1.00000
     45     -11.6255      1.00000
     46     -11.5710      1.00000
     47     -10.9500      1.00000
     48     -10.9166      1.00000
     49     -10.6272      1.00000
     50     -10.6219      1.00000
     51     -10.5437      1.00000
     52     -10.5004      1.00000
     53     -10.4995      1.00000
     54     -10.4381      1.00000
     55     -10.3527      1.00000
     56     -10.0940      1.00000
     57      -9.8987      1.00000
     58      -9.6014      1.00000
     59      -9.5482      1.00000
     60      -9.4515      1.00000
     61      -9.4138      1.00000
     62      -9.4030      1.00000
     63      -9.3723      1.00000
     64      -9.3712      1.00000
     65      -9.2833      1.00000
     66      -9.1721      1.00000
     67      -9.1477      1.00000
     68      -9.1162      1.00000
     69      -8.8664      1.00000
     70      -8.8599      1.00000
     71      -8.8122      1.00000
     72      -8.5926      1.00000
     73      -8.4764      1.00000
     74      -8.2012      1.00000
     75      -8.1659      1.00000
     76      -8.0100      1.00000
     77      -7.9560      1.00000
     78      -7.8458      1.00000
     79      -7.8355      1.00000
     80      -7.7050      1.00000
     81      -7.6949      1.00000
     82      -7.6224      1.00000
     83      -7.4424      1.00000
     84      -7.3027      1.00000
     85      -7.2453      1.00000
     86      -6.9082      1.00000
     87      -6.8957      1.00000
     88      -6.5875      1.00000
     89      -6.5488      1.00000
     90      -6.4028      1.00000
     91      -6.2535      1.00000
     92      -6.2317      1.00000
     93      -6.2113      1.00000
     94      -6.0198      1.00000
     95      -5.5473      1.00000
     96      -5.4863      1.00000
     97      -5.3466      1.00000
     98      -5.2176      1.00000
     99      -4.9799      1.00000
    100      -4.7283      1.00000
    101      -4.6763      1.00000
    102      -4.3833      1.00000
    103      -4.1978      1.00000
    104      -3.8648      1.00000
    105      -3.5466      1.00000
    106      -3.5016      1.00000
    107      -2.2594      0.00000
    108      -1.4548      0.00000
    109      -1.3767      0.00000
    110      -1.2451      0.00000
    111      -1.0980      0.00000
    112      -0.9459      0.00000
    113      -0.8654      0.00000
    114      -0.8060      0.00000
    115      -0.1436      0.00000
    116       0.1025      0.00000
    117       0.2348      0.00000
    118       0.3730      0.00000
    119       0.6634      0.00000
    120       0.8336      0.00000
    121       0.9333      0.00000
    122       1.0681      0.00000
    123       1.2458      0.00000
    124       1.4481      0.00000
    125       1.5724      0.00000
    126       1.7634      0.00000
    127       1.7886      0.00000
    128       1.8607      0.00000
    129       1.9918      0.00000
    130       2.0372      0.00000
    131       2.1822      0.00000
    132       2.1935      0.00000
    133       2.4112      0.00000
    134       2.4272      0.00000
    135       2.5001      0.00000
    136       2.5969      0.00000
    137       2.6279      0.00000
    138       2.7099      0.00000
    139       2.7749      0.00000
    140       2.8509      0.00000
    141       2.9670      0.00000
    142       3.0837      0.00000
    143       3.1699      0.00000
    144       3.2062      0.00000
    145       3.2369      0.00000
    146       3.3111      0.00000
    147       3.3305      0.00000
    148       3.4742      0.00000
    149       3.5189      0.00000
    150       3.6953      0.00000
    151       3.7271      0.00000
    152       3.7322      0.00000
    153       3.8667      0.00000
    154       3.9023      0.00000
    155       3.9478      0.00000
    156       3.9718      0.00000
    157       3.9846      0.00000
    158       4.0376      0.00000
    159       4.0487      0.00000
    160       4.0523      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2051      1.00000
      2     -22.1116      1.00000
      3     -21.9513      1.00000
      4     -21.3993      1.00000
      5     -21.0443      1.00000
      6     -21.0090      1.00000
      7     -20.4956      1.00000
      8     -20.4568      1.00000
      9     -20.2894      1.00000
     10     -20.2706      1.00000
     11     -19.9539      1.00000
     12     -19.8875      1.00000
     13     -18.8797      1.00000
     14     -18.8103      1.00000
     15     -18.3482      1.00000
     16     -18.3030      1.00000
     17     -18.1494      1.00000
     18     -18.1327      1.00000
     19     -17.8225      1.00000
     20     -17.7859      1.00000
     21     -17.2486      1.00000
     22     -17.2415      1.00000
     23     -17.1614      1.00000
     24     -17.1313      1.00000
     25     -16.1047      1.00000
     26     -15.8830      1.00000
     27     -15.8668      1.00000
     28     -15.8337      1.00000
     29     -15.2345      1.00000
     30     -14.5541      1.00000
     31     -14.5260      1.00000
     32     -14.2789      1.00000
     33     -13.9613      1.00000
     34     -13.9524      1.00000
     35     -13.8191      1.00000
     36     -13.8026      1.00000
     37     -13.6130      1.00000
     38     -13.5698      1.00000
     39     -13.3645      1.00000
     40     -12.6299      1.00000
     41     -12.1805      1.00000
     42     -12.1327      1.00000
     43     -12.0708      1.00000
     44     -12.0172      1.00000
     45     -11.6664      1.00000
     46     -11.6533      1.00000
     47     -11.1400      1.00000
     48     -11.1189      1.00000
     49     -10.7961      1.00000
     50     -10.7311      1.00000
     51     -10.5215      1.00000
     52     -10.2070      1.00000
     53     -10.2013      1.00000
     54     -10.1597      1.00000
     55     -10.0154      1.00000
     56      -9.9996      1.00000
     57      -9.9872      1.00000
     58      -9.8025      1.00000
     59      -9.7913      1.00000
     60      -9.7645      1.00000
     61      -9.7568      1.00000
     62      -9.4564      1.00000
     63      -9.4129      1.00000
     64      -9.0776      1.00000
     65      -9.0689      1.00000
     66      -9.0395      1.00000
     67      -8.9564      1.00000
     68      -8.8733      1.00000
     69      -8.7110      1.00000
     70      -8.6965      1.00000
     71      -8.5675      1.00000
     72      -8.5456      1.00000
     73      -8.4972      1.00000
     74      -8.4593      1.00000
     75      -8.4555      1.00000
     76      -8.2563      1.00000
     77      -8.1218      1.00000
     78      -8.0392      1.00000
     79      -7.9142      1.00000
     80      -7.8597      1.00000
     81      -7.6148      1.00000
     82      -7.5482      1.00000
     83      -7.4941      1.00000
     84      -7.2595      1.00000
     85      -6.9936      1.00000
     86      -6.9232      1.00000
     87      -6.8811      1.00000
     88      -6.5359      1.00000
     89      -6.4897      1.00000
     90      -6.4604      1.00000
     91      -6.4088      1.00000
     92      -5.9808      1.00000
     93      -5.8954      1.00000
     94      -5.7819      1.00000
     95      -5.7591      1.00000
     96      -5.4283      1.00000
     97      -5.3275      1.00000
     98      -5.2287      1.00000
     99      -5.2156      1.00000
    100      -5.1888      1.00000
    101      -4.6891      1.00000
    102      -4.4160      1.00000
    103      -4.2041      1.00000
    104      -3.8267      1.00000
    105      -3.5209      1.00000
    106      -3.2754      1.00000
    107      -2.5332      0.00000
    108      -1.4559      0.00000
    109      -1.2708      0.00000
    110      -1.2054      0.00000
    111      -1.1758      0.00000
    112      -0.7216      0.00000
    113      -0.5069      0.00000
    114      -0.4158      0.00000
    115      -0.3440      0.00000
    116      -0.1493      0.00000
    117      -0.0056      0.00000
    118       0.1894      0.00000
    119       0.5556      0.00000
    120       0.6090      0.00000
    121       0.8065      0.00000
    122       0.9143      0.00000
    123       1.1422      0.00000
    124       1.5063      0.00000
    125       1.6413      0.00000
    126       1.8731      0.00000
    127       1.9402      0.00000
    128       2.1002      0.00000
    129       2.1182      0.00000
    130       2.1303      0.00000
    131       2.1657      0.00000
    132       2.2745      0.00000
    133       2.3106      0.00000
    134       2.4527      0.00000
    135       2.5776      0.00000
    136       2.6661      0.00000
    137       2.8599      0.00000
    138       2.8689      0.00000
    139       2.9046      0.00000
    140       3.0027      0.00000
    141       3.0255      0.00000
    142       3.1443      0.00000
    143       3.1526      0.00000
    144       3.2245      0.00000
    145       3.2735      0.00000
    146       3.2851      0.00000
    147       3.3094      0.00000
    148       3.3537      0.00000
    149       3.4373      0.00000
    150       3.4592      0.00000
    151       3.5633      0.00000
    152       3.6202      0.00000
    153       3.6682      0.00000
    154       3.7110      0.00000
    155       3.7886      0.00000
    156       3.9048      0.00000
    157       3.9333      0.00000
    158       4.0119      0.00000
    159       4.1544      0.00000
    160       4.2380      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3117      1.00000
      2     -21.9589      1.00000
      3     -21.8864      1.00000
      4     -21.3788      1.00000
      5     -21.3430      1.00000
      6     -20.8349      1.00000
      7     -20.7681      1.00000
      8     -20.6206      1.00000
      9     -20.0843      1.00000
     10     -20.0561      1.00000
     11     -19.7139      1.00000
     12     -19.6857      1.00000
     13     -19.0054      1.00000
     14     -18.9749      1.00000
     15     -18.6447      1.00000
     16     -18.6129      1.00000
     17     -18.4580      1.00000
     18     -17.6579      1.00000
     19     -17.6458      1.00000
     20     -17.6085      1.00000
     21     -17.5755      1.00000
     22     -17.1338      1.00000
     23     -17.0947      1.00000
     24     -16.9624      1.00000
     25     -16.0055      1.00000
     26     -15.9179      1.00000
     27     -15.5962      1.00000
     28     -15.5723      1.00000
     29     -15.2776      1.00000
     30     -14.8740      1.00000
     31     -14.8273      1.00000
     32     -14.5748      1.00000
     33     -14.5357      1.00000
     34     -14.1603      1.00000
     35     -14.1554      1.00000
     36     -13.1612      1.00000
     37     -13.0941      1.00000
     38     -13.0232      1.00000
     39     -13.0176      1.00000
     40     -12.7178      1.00000
     41     -12.6943      1.00000
     42     -12.3374      1.00000
     43     -12.3083      1.00000
     44     -11.6285      1.00000
     45     -11.6198      1.00000
     46     -11.5663      1.00000
     47     -10.9388      1.00000
     48     -10.9184      1.00000
     49     -10.6649      1.00000
     50     -10.5918      1.00000
     51     -10.5701      1.00000
     52     -10.4957      1.00000
     53     -10.4867      1.00000
     54     -10.4400      1.00000
     55     -10.3576      1.00000
     56     -10.0983      1.00000
     57      -9.8930      1.00000
     58      -9.6112      1.00000
     59      -9.5524      1.00000
     60      -9.4502      1.00000
     61      -9.4128      1.00000
     62      -9.4084      1.00000
     63      -9.3814      1.00000
     64      -9.3730      1.00000
     65      -9.2630      1.00000
     66      -9.1631      1.00000
     67      -9.1395      1.00000
     68      -9.1135      1.00000
     69      -8.8656      1.00000
     70      -8.8546      1.00000
     71      -8.7991      1.00000
     72      -8.5925      1.00000
     73      -8.5224      1.00000
     74      -8.1923      1.00000
     75      -8.1678      1.00000
     76      -8.0756      1.00000
     77      -7.8602      1.00000
     78      -7.8383      1.00000
     79      -7.8199      1.00000
     80      -7.7125      1.00000
     81      -7.6969      1.00000
     82      -7.5981      1.00000
     83      -7.5225      1.00000
     84      -7.3488      1.00000
     85      -7.1632      1.00000
     86      -6.9059      1.00000
     87      -6.8947      1.00000
     88      -6.5903      1.00000
     89      -6.5499      1.00000
     90      -6.4100      1.00000
     91      -6.2993      1.00000
     92      -6.2453      1.00000
     93      -6.2000      1.00000
     94      -6.0024      1.00000
     95      -5.5290      1.00000
     96      -5.4656      1.00000
     97      -5.3124      1.00000
     98      -5.2091      1.00000
     99      -5.0434      1.00000
    100      -4.7197      1.00000
    101      -4.6702      1.00000
    102      -4.4179      1.00000
    103      -4.1902      1.00000
    104      -3.8359      1.00000
    105      -3.6306      1.00000
    106      -3.4127      1.00000
    107      -2.2937      0.00000
    108      -1.5082      0.00000
    109      -1.2728      0.00000
    110      -1.2660      0.00000
    111      -1.0354      0.00000
    112      -0.9840      0.00000
    113      -0.8712      0.00000
    114      -0.8037      0.00000
    115      -0.2637      0.00000
    116       0.2019      0.00000
    117       0.2360      0.00000
    118       0.3563      0.00000
    119       0.6988      0.00000
    120       0.8889      0.00000
    121       0.9208      0.00000
    122       1.0477      0.00000
    123       1.1728      0.00000
    124       1.5156      0.00000
    125       1.5798      0.00000
    126       1.7113      0.00000
    127       1.7751      0.00000
    128       1.8251      0.00000
    129       1.9512      0.00000
    130       2.0078      0.00000
    131       2.1687      0.00000
    132       2.2807      0.00000
    133       2.4137      0.00000
    134       2.4328      0.00000
    135       2.4963      0.00000
    136       2.5983      0.00000
    137       2.6145      0.00000
    138       2.7137      0.00000
    139       2.7528      0.00000
    140       2.8768      0.00000
    141       3.0484      0.00000
    142       3.0838      0.00000
    143       3.1732      0.00000
    144       3.2214      0.00000
    145       3.2365      0.00000
    146       3.2967      0.00000
    147       3.3461      0.00000
    148       3.4628      0.00000
    149       3.5387      0.00000
    150       3.6993      0.00000
    151       3.7156      0.00000
    152       3.7617      0.00000
    153       3.8348      0.00000
    154       3.8809      0.00000
    155       3.9383      0.00000
    156       3.9785      0.00000
    157       3.9893      0.00000
    158       4.0224      0.00000
    159       4.0323      0.00000
    160       4.1034      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3838      1.00000
      2     -21.8256      1.00000
      3     -21.6351      1.00000
      4     -21.6011      1.00000
      5     -21.2732      1.00000
      6     -21.2268      1.00000
      7     -21.0517      1.00000
      8     -20.1669      1.00000
      9     -20.1215      1.00000
     10     -19.6109      1.00000
     11     -19.5853      1.00000
     12     -19.4127      1.00000
     13     -19.0905      1.00000
     14     -19.0514      1.00000
     15     -19.0473      1.00000
     16     -19.0353      1.00000
     17     -18.3623      1.00000
     18     -18.3429      1.00000
     19     -18.0156      1.00000
     20     -17.0713      1.00000
     21     -17.0236      1.00000
     22     -16.9469      1.00000
     23     -16.9333      1.00000
     24     -16.4703      1.00000
     25     -16.4587      1.00000
     26     -15.6040      1.00000
     27     -15.6034      1.00000
     28     -15.2478      1.00000
     29     -15.2358      1.00000
     30     -15.1913      1.00000
     31     -15.1006      1.00000
     32     -15.0679      1.00000
     33     -14.6936      1.00000
     34     -14.6927      1.00000
     35     -13.7214      1.00000
     36     -13.7213      1.00000
     37     -13.2374      1.00000
     38     -12.6251      1.00000
     39     -12.5812      1.00000
     40     -12.4532      1.00000
     41     -12.4480      1.00000
     42     -12.1035      1.00000
     43     -12.0985      1.00000
     44     -11.7138      1.00000
     45     -11.6758      1.00000
     46     -11.2440      1.00000
     47     -11.2231      1.00000
     48     -11.0181      1.00000
     49     -11.0068      1.00000
     50     -10.9221      1.00000
     51     -10.8938      1.00000
     52     -10.6301      1.00000
     53     -10.1721      1.00000
     54     -10.1495      1.00000
     55     -10.0897      1.00000
     56      -9.9862      1.00000
     57      -9.6954      1.00000
     58      -9.6880      1.00000
     59      -9.6663      1.00000
     60      -9.5892      1.00000
     61      -9.5658      1.00000
     62      -9.5488      1.00000
     63      -9.3136      1.00000
     64      -9.3028      1.00000
     65      -9.2793      1.00000
     66      -9.2352      1.00000
     67      -9.1193      1.00000
     68      -9.1140      1.00000
     69      -9.1117      1.00000
     70      -8.9356      1.00000
     71      -8.8677      1.00000
     72      -8.6020      1.00000
     73      -8.5844      1.00000
     74      -8.2696      1.00000
     75      -8.1072      1.00000
     76      -7.8618      1.00000
     77      -7.8409      1.00000
     78      -7.7886      1.00000
     79      -7.7679      1.00000
     80      -7.7584      1.00000
     81      -7.4369      1.00000
     82      -7.3381      1.00000
     83      -7.3263      1.00000
     84      -7.2620      1.00000
     85      -7.1629      1.00000
     86      -7.0097      1.00000
     87      -6.9844      1.00000
     88      -6.7143      1.00000
     89      -6.6896      1.00000
     90      -6.6302      1.00000
     91      -6.5883      1.00000
     92      -6.1242      1.00000
     93      -6.0550      1.00000
     94      -6.0432      1.00000
     95      -6.0257      1.00000
     96      -5.7478      1.00000
     97      -4.9688      1.00000
     98      -4.8373      1.00000
     99      -4.7089      1.00000
    100      -4.6738      1.00000
    101      -4.4781      1.00000
    102      -4.3450      1.00000
    103      -4.1106      1.00000
    104      -4.0539      1.00000
    105      -3.7498      1.00000
    106      -3.4585      1.00000
    107      -1.9500      0.00000
    108      -1.7733      0.00000
    109      -1.4819      0.00000
    110      -1.3566      0.00000
    111      -1.3407      0.00000
    112      -1.2965      0.00000
    113      -0.6844      0.00000
    114      -0.4731      0.00000
    115      -0.2366      0.00000
    116       0.0479      0.00000
    117       0.5977      0.00000
    118       0.6906      0.00000
    119       0.7661      0.00000
    120       1.0157      0.00000
    121       1.0922      0.00000
    122       1.1731      0.00000
    123       1.2521      0.00000
    124       1.3401      0.00000
    125       1.4498      0.00000
    126       1.6116      0.00000
    127       1.7461      0.00000
    128       1.8450      0.00000
    129       1.8516      0.00000
    130       1.8923      0.00000
    131       2.0358      0.00000
    132       2.2263      0.00000
    133       2.2523      0.00000
    134       2.3071      0.00000
    135       2.4846      0.00000
    136       2.5918      0.00000
    137       2.6364      0.00000
    138       2.7750      0.00000
    139       2.7799      0.00000
    140       2.8281      0.00000
    141       2.8338      0.00000
    142       2.8446      0.00000
    143       2.9250      0.00000
    144       3.1116      0.00000
    145       3.3171      0.00000
    146       3.3397      0.00000
    147       3.3719      0.00000
    148       3.4035      0.00000
    149       3.4210      0.00000
    150       3.5792      0.00000
    151       3.6231      0.00000
    152       3.6737      0.00000
    153       3.7334      0.00000
    154       3.8984      0.00000
    155       3.9371      0.00000
    156       3.9522      0.00000
    157       4.1148      0.00000
    158       4.2077      0.00000
    159       4.2489      0.00000
    160       4.2854      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2043      1.00000
      2     -22.1132      1.00000
      3     -21.9506      1.00000
      4     -21.3987      1.00000
      5     -21.0409      1.00000
      6     -21.0130      1.00000
      7     -20.4909      1.00000
      8     -20.4615      1.00000
      9     -20.2822      1.00000
     10     -20.2803      1.00000
     11     -19.9512      1.00000
     12     -19.8878      1.00000
     13     -18.8779      1.00000
     14     -18.8102      1.00000
     15     -18.3355      1.00000
     16     -18.3168      1.00000
     17     -18.1454      1.00000
     18     -18.1378      1.00000
     19     -17.8136      1.00000
     20     -17.7959      1.00000
     21     -17.2546      1.00000
     22     -17.2353      1.00000
     23     -17.1612      1.00000
     24     -17.1302      1.00000
     25     -16.1140      1.00000
     26     -15.8748      1.00000
     27     -15.8640      1.00000
     28     -15.8363      1.00000
     29     -15.2312      1.00000
     30     -14.5456      1.00000
     31     -14.5276      1.00000
     32     -14.2756      1.00000
     33     -13.9762      1.00000
     34     -13.9519      1.00000
     35     -13.8251      1.00000
     36     -13.8021      1.00000
     37     -13.6012      1.00000
     38     -13.5765      1.00000
     39     -13.3659      1.00000
     40     -12.6363      1.00000
     41     -12.1660      1.00000
     42     -12.1399      1.00000
     43     -12.0624      1.00000
     44     -12.0148      1.00000
     45     -11.6683      1.00000
     46     -11.6637      1.00000
     47     -11.1330      1.00000
     48     -11.1224      1.00000
     49     -10.7833      1.00000
     50     -10.7265      1.00000
     51     -10.5286      1.00000
     52     -10.2102      1.00000
     53     -10.2040      1.00000
     54     -10.1656      1.00000
     55     -10.0218      1.00000
     56      -9.9906      1.00000
     57      -9.9902      1.00000
     58      -9.8070      1.00000
     59      -9.7979      1.00000
     60      -9.7648      1.00000
     61      -9.7565      1.00000
     62      -9.4463      1.00000
     63      -9.4121      1.00000
     64      -9.0849      1.00000
     65      -9.0472      1.00000
     66      -9.0230      1.00000
     67      -8.9665      1.00000
     68      -8.8938      1.00000
     69      -8.7106      1.00000
     70      -8.7017      1.00000
     71      -8.5532      1.00000
     72      -8.5429      1.00000
     73      -8.4761      1.00000
     74      -8.4594      1.00000
     75      -8.4557      1.00000
     76      -8.3026      1.00000
     77      -8.0909      1.00000
     78      -8.0875      1.00000
     79      -7.9294      1.00000
     80      -7.8314      1.00000
     81      -7.5965      1.00000
     82      -7.5338      1.00000
     83      -7.4494      1.00000
     84      -7.3007      1.00000
     85      -6.9993      1.00000
     86      -6.9256      1.00000
     87      -6.8869      1.00000
     88      -6.5245      1.00000
     89      -6.5117      1.00000
     90      -6.4780      1.00000
     91      -6.4176      1.00000
     92      -5.9253      1.00000
     93      -5.9041      1.00000
     94      -5.7876      1.00000
     95      -5.7728      1.00000
     96      -5.3680      1.00000
     97      -5.3609      1.00000
     98      -5.2206      1.00000
     99      -5.2145      1.00000
    100      -5.1970      1.00000
    101      -4.7159      1.00000
    102      -4.4351      1.00000
    103      -4.1864      1.00000
    104      -3.8127      1.00000
    105      -3.5580      1.00000
    106      -3.2220      1.00000
    107      -2.5640      0.00000
    108      -1.4612      0.00000
    109      -1.2737      0.00000
    110      -1.1877      0.00000
    111      -1.1846      0.00000
    112      -0.6472      0.00000
    113      -0.5568      0.00000
    114      -0.4175      0.00000
    115      -0.3491      0.00000
    116      -0.0823      0.00000
    117      -0.0701      0.00000
    118       0.1225      0.00000
    119       0.5898      0.00000
    120       0.6244      0.00000
    121       0.8638      0.00000
    122       0.9968      0.00000
    123       1.0100      0.00000
    124       1.4988      0.00000
    125       1.6921      0.00000
    126       1.7928      0.00000
    127       1.8773      0.00000
    128       2.0971      0.00000
    129       2.1269      0.00000
    130       2.1786      0.00000
    131       2.2073      0.00000
    132       2.2449      0.00000
    133       2.3294      0.00000
    134       2.4865      0.00000
    135       2.5043      0.00000
    136       2.6769      0.00000
    137       2.8444      0.00000
    138       2.8550      0.00000
    139       2.9622      0.00000
    140       2.9878      0.00000
    141       3.0431      0.00000
    142       3.1473      0.00000
    143       3.1570      0.00000
    144       3.2462      0.00000
    145       3.2504      0.00000
    146       3.2803      0.00000
    147       3.3116      0.00000
    148       3.3635      0.00000
    149       3.4317      0.00000
    150       3.5633      0.00000
    151       3.5761      0.00000
    152       3.6526      0.00000
    153       3.6562      0.00000
    154       3.6711      0.00000
    155       3.7108      0.00000
    156       3.9085      0.00000
    157       3.9584      0.00000
    158       4.0473      0.00000
    159       4.0988      0.00000
    160       4.2028      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2776      1.00000
      2     -22.0731      1.00000
      3     -21.7139      1.00000
      4     -21.6756      1.00000
      5     -20.9774      1.00000
      6     -20.9303      1.00000
      7     -20.6063      1.00000
      8     -20.5750      1.00000
      9     -20.5612      1.00000
     10     -20.0286      1.00000
     11     -19.5074      1.00000
     12     -19.4780      1.00000
     13     -19.3058      1.00000
     14     -19.2930      1.00000
     15     -18.4469      1.00000
     16     -18.4044      1.00000
     17     -17.9235      1.00000
     18     -17.9036      1.00000
     19     -17.7641      1.00000
     20     -17.7198      1.00000
     21     -17.4382      1.00000
     22     -17.4201      1.00000
     23     -17.3385      1.00000
     24     -16.4659      1.00000
     25     -16.4559      1.00000
     26     -15.9687      1.00000
     27     -15.4054      1.00000
     28     -15.4046      1.00000
     29     -15.0909      1.00000
     30     -15.0877      1.00000
     31     -14.8526      1.00000
     32     -14.8407      1.00000
     33     -14.2981      1.00000
     34     -14.2547      1.00000
     35     -13.4452      1.00000
     36     -13.4016      1.00000
     37     -13.1722      1.00000
     38     -13.1708      1.00000
     39     -12.9826      1.00000
     40     -12.9738      1.00000
     41     -12.6085      1.00000
     42     -12.6063      1.00000
     43     -12.1998      1.00000
     44     -11.5720      1.00000
     45     -11.5315      1.00000
     46     -11.3064      1.00000
     47     -11.2766      1.00000
     48     -11.1458      1.00000
     49     -10.6884      1.00000
     50     -10.6606      1.00000
     51     -10.5420      1.00000
     52     -10.3235      1.00000
     53     -10.3162      1.00000
     54     -10.1703      1.00000
     55     -10.1186      1.00000
     56     -10.1059      1.00000
     57      -9.8072      1.00000
     58      -9.7530      1.00000
     59      -9.7520      1.00000
     60      -9.7042      1.00000
     61      -9.6999      1.00000
     62      -9.6421      1.00000
     63      -9.3537      1.00000
     64      -9.3526      1.00000
     65      -9.3100      1.00000
     66      -9.0246      1.00000
     67      -8.9627      1.00000
     68      -8.9575      1.00000
     69      -8.7717      1.00000
     70      -8.5846      1.00000
     71      -8.5832      1.00000
     72      -8.4195      1.00000
     73      -8.3467      1.00000
     74      -8.3208      1.00000
     75      -8.3041      1.00000
     76      -8.2650      1.00000
     77      -8.2523      1.00000
     78      -8.2340      1.00000
     79      -7.9223      1.00000
     80      -7.7340      1.00000
     81      -7.3836      1.00000
     82      -7.3535      1.00000
     83      -7.3118      1.00000
     84      -7.2230      1.00000
     85      -7.1563      1.00000
     86      -7.0650      1.00000
     87      -6.9571      1.00000
     88      -6.9044      1.00000
     89      -6.6087      1.00000
     90      -6.5637      1.00000
     91      -6.2666      1.00000
     92      -5.9947      1.00000
     93      -5.9585      1.00000
     94      -5.6729      1.00000
     95      -5.6462      1.00000
     96      -5.3860      1.00000
     97      -5.3145      1.00000
     98      -5.2932      1.00000
     99      -5.2110      1.00000
    100      -5.1992      1.00000
    101      -4.5034      1.00000
    102      -4.3309      1.00000
    103      -3.9944      1.00000
    104      -3.8842      1.00000
    105      -3.7876      1.00000
    106      -3.4372      1.00000
    107      -2.0346      0.00000
    108      -1.8661      0.00000
    109      -1.2174      0.00000
    110      -1.1905      0.00000
    111      -1.0366      0.00000
    112      -0.7737      0.00000
    113      -0.6826      0.00000
    114      -0.6608      0.00000
    115      -0.6143      0.00000
    116      -0.1063      0.00000
    117       0.2174      0.00000
    118       0.2351      0.00000
    119       0.7801      0.00000
    120       0.9920      0.00000
    121       1.0752      0.00000
    122       1.2402      0.00000
    123       1.2515      0.00000
    124       1.3476      0.00000
    125       1.5794      0.00000
    126       1.5821      0.00000
    127       1.7221      0.00000
    128       1.7916      0.00000
    129       1.9600      0.00000
    130       1.9878      0.00000
    131       2.0439      0.00000
    132       2.2563      0.00000
    133       2.3368      0.00000
    134       2.4329      0.00000
    135       2.5504      0.00000
    136       2.6327      0.00000
    137       2.7255      0.00000
    138       2.7935      0.00000
    139       2.8557      0.00000
    140       2.8638      0.00000
    141       3.0373      0.00000
    142       3.1116      0.00000
    143       3.1704      0.00000
    144       3.2267      0.00000
    145       3.3731      0.00000
    146       3.4197      0.00000
    147       3.5120      0.00000
    148       3.5516      0.00000
    149       3.5889      0.00000
    150       3.6046      0.00000
    151       3.6601      0.00000
    152       3.7386      0.00000
    153       3.7536      0.00000
    154       3.7596      0.00000
    155       3.7738      0.00000
    156       3.8785      0.00000
    157       4.0319      0.00000
    158       4.1005      0.00000
    159       4.1766      0.00000
    160       4.2256      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0448   -7.4007    4.1998   -1.2764   -0.2379   17.6066    0.1366   -0.5293    0.6317   -0.4657
x    -3.0905   -0.0369   -0.0632    0.0620   -0.0120   -2.9782   -0.0088   -0.0069    0.0048    0.0015
x    -0.0969    0.0018   -0.0013    0.0004    0.0002   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0448    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0004    0.0006   -0.0937   -0.0089    0.0365    0.0398
y    -0.0451   -3.2437   -0.5412   -0.1655   -1.1990   -0.6061
z   204.0448    1.1119   -0.3111    0.0495    0.0216    0.0864   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1122    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7615
z    -0.2214    0.2323   -0.0560    0.0610   -0.0898    0.0008
 total charge-density along one line
x   212.0000  -10.2324    6.1486   -2.0867   -0.4737   19.5239   -1.0082    0.4785   -0.0481   -0.1255
x    -2.6446   -0.0272   -0.0609    0.0848   -0.0554   -2.2251   -0.0234   -0.0023    0.0051    0.0021
x    -0.0898    0.0061   -0.0050    0.0027   -0.0008   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2324    6.1486   -2.0867   -0.4737   19.5239   -1.0082    0.4785   -0.0481   -0.1255
y    -2.6446   -0.0272   -0.0609    0.0848   -0.0554   -2.2251   -0.0234   -0.0023    0.0051    0.0021
y    -0.0898    0.0061   -0.0050    0.0027   -0.0008   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3206  188.8865 -170.1324  154.0357 -140.4738  126.7634 -111.3763   95.0196  -79.2148
z    64.8379  -52.0429   40.9447  -31.8796   25.0104  -19.9466   15.9203  -12.3272    9.0565   -6.3360
z     4.3401   -2.9774    1.9955   -1.2065    0.5797   -0.1515   -0.0957    0.2498   -0.3882    0.5137
z    -0.5780    0.5542   -0.4737    0.3959   -0.3540    0.3355   -0.3101    0.2649   -0.2122    0.1702
z    -0.1438    0.1246   -0.1044    0.0828   -0.0652    0.0545   -0.0484    0.0427   -0.0356    0.0289
z    -0.0241    0.0211   -0.0187    0.0159   -0.0129    0.0103   -0.0082    0.0064   -0.0048    0.0035
z    -0.0025    0.0015   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.269   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.627   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.131   0.000  -0.033  -0.279   0.081   0.000  -0.093   0.000   0.000
  0.000   0.269   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.586  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.627   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.027  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.586   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.081   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.035   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.030   8.932
  2        0.520   0.027   0.000   0.548
  3        0.520   0.027   0.000   0.548
  4        0.864   1.782   0.000   2.646
  5        0.864   1.783   0.000   2.647
  6        0.863   1.782   0.000   2.645
  7        0.864   1.782   0.000   2.646
  8        0.864   1.782   0.000   2.645
  9        0.864   1.782   0.000   2.646
 10        0.864   1.784   0.000   2.647
 11        0.864   1.782   0.000   2.646
 12        0.863   1.784   0.000   2.647
 13        0.863   1.782   0.000   2.645
 14        0.864   1.783   0.000   2.646
 15        0.864   1.783   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.863   1.782   0.000   2.645
 20        0.864   1.782   0.000   2.646
 21        0.864   1.781   0.000   2.644
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.645
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.644
 27        0.864   1.782   0.000   2.646
 28        0.864   1.784   0.000   2.647
 29        0.864   1.782   0.000   2.645
 30        0.864   1.784   0.000   2.647
 31        0.864   1.782   0.000   2.646
 32        0.864   1.781   0.000   2.644
 33        0.864   1.781   0.000   2.645
 34        0.863   1.782   0.000   2.645
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.783   0.000   2.646
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.783   0.000   2.647
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.784   0.000   2.647
 47        0.864   1.782   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.782   0.000   2.646
 50        0.864   1.782   0.000   2.645
 51        0.864   1.782   0.000   2.646
 52        0.863   1.782   0.000   2.645
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.856  89.382   8.030 142.268
 


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


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


    CHARGE:  VPU time   90.21: CPU time   45.45
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  362.03: CPU time  181.39
    STRESS:  VPU time 1089.03: CPU time  547.27
    FORCOR:  VPU time    7.38: CPU time    7.38
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force =-0.1260160E-04[-0.154E-04,-0.984E-05]  d Energy = 0.3159939E-05-0.158E-04
 d Force = 0.1203783E-01[ 0.120E-01, 0.120E-01]  d Ewald  =-0.3134627E+00 0.326E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726134 eV

  energy  without entropy=     -471.726134  energy(sigma->0) =     -471.726134
 

  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    40766.01  40723.13 -47461.07    -37.14      0.00      0.00
  Hartree  40192.65  40176.47 -39450.32    -14.01      0.00      0.00
  E(xc)     -779.29   -779.59   -807.22     -0.26      0.00      0.00
  Local   -83242.92 -83193.03  84226.56     43.20      0.00      0.00
  n-local   -216.61   -215.57   -203.43      0.63      0.00      0.00
  augment     20.08     22.07     17.83      1.72      0.00      0.00
  Kinetic   3161.02   3175.42   3583.33      4.12      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -1.39     -0.90     -0.39      0.42      0.00      0.00
  in kB       -0.84     -0.55     -0.23      0.25      0.00      0.00
  external pressure =       -0.54 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
    12.350577151 -0.001446997  0.000000000     0.080973355  0.046762706  0.000000000
    -6.176548355 10.695186051  0.000000000     0.000010955  0.093506336  0.000000000
     0.000000000  0.000000000 19.972790947     0.000000000  0.000000000  0.050068115

  length of vectors
    12.350577236 12.350577082 19.972790947     0.093506336  0.093506337  0.050068115


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.474E-05 -.487E-04 -.950E+03   0.420E-05 -.275E-04 0.959E+03   0.000E+00 0.847E-21 -.868E+01   -.781E-07 0.461E-07 -.353E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   0.185E-03 -.108E-03 -.599E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   -.185E-03 0.108E-03 -.599E-03
   -.204E+01 0.118E+01 0.135E+02   0.204E+01 -.118E+01 -.134E+02   -.561E-02 0.324E-02 -.336E-01   -.689E-03 0.395E-03 0.986E-05
   0.621E+01 0.689E+01 0.164E+02   -.622E+01 -.691E+01 -.163E+02   -.490E-02 0.204E-01 -.388E-01   -.846E-03 0.451E-03 0.267E-07
   0.111E+02 0.513E+01 0.166E+02   -.112E+02 -.514E+01 -.166E+02   0.160E-01 0.135E-01 -.469E-01   -.821E-03 0.653E-03 0.177E-03
   0.462E+01 -.842E+00 0.155E+02   -.465E+01 0.854E+00 -.155E+02   0.903E-02 -.298E-02 -.748E-02   -.842E-03 0.345E-03 0.298E-03
   -.311E+01 -.248E+01 0.138E+02   0.310E+01 0.249E+01 -.138E+02   -.448E-02 0.433E-02 -.526E-02   -.699E-03 0.296E-03 0.164E-03
   0.596E+00 0.394E+01 0.138E+02   -.602E+00 -.393E+01 -.138E+02   -.600E-02 0.172E-02 -.526E-02   -.612E-03 0.451E-03 0.160E-03
   0.242E+01 0.189E+02 0.227E+02   -.243E+01 -.190E+02 -.227E+02   -.620E-02 0.972E-01 -.352E-01   -.659E-03 0.338E-03 0.910E-04
   0.226E+02 0.214E+02 0.401E+02   -.227E+02 -.217E+02 -.401E+02   0.702E-01 0.256E+00 -.780E-01   -.961E-03 0.722E-03 0.320E-03
   0.266E+02 -.341E+01 0.259E+02   -.269E+02 0.353E+01 -.259E+02   0.258E+00 -.103E+00 -.318E-01   -.807E-03 0.951E-03 0.475E-03
   0.902E+01 -.521E+01 0.156E+02   -.907E+01 0.524E+01 -.156E+02   0.398E-01 -.230E-01 -.126E-01   -.358E-03 0.201E-03 0.363E-03
   0.304E+01 -.358E+01 0.155E+02   -.306E+01 0.360E+01 -.155E+02   0.710E-02 -.633E-02 -.748E-02   -.722E-03 0.552E-03 0.291E-03
   -.598E+01 0.135E+02 0.176E+02   0.597E+01 -.136E+02 -.175E+02   -.213E-02 0.734E-01 -.505E-01   -.464E-03 0.698E-03 0.347E-03
   -.119E+02 0.360E+02 0.467E+02   0.119E+02 -.366E+02 -.470E+02   -.344E-01 0.603E+00 0.297E+00   -.212E-03 0.523E-04 0.555E-03
   0.234E+02 -.135E+02 0.916E+02   -.241E+02 0.139E+02 -.937E+02   0.624E+00 -.360E+00 0.202E+01   -.117E-02 0.673E-03 0.843E-03
   0.163E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.259E+02   0.219E+00 -.172E+00 -.318E-01   -.123E-02 0.216E-03 0.470E-03
   0.113E+01 -.122E+02 0.166E+02   -.114E+01 0.122E+02 -.166E+02   -.369E-02 -.206E-01 -.469E-01   -.973E-03 0.384E-03 0.172E-03
   -.415E+01 0.192E+01 0.142E+02   0.414E+01 -.193E+01 -.142E+02   -.325E-02 0.134E-01 -.314E-01   -.111E-02 0.638E-03 0.272E-03
   -.192E+02 0.111E+02 0.221E+02   0.192E+02 -.111E+02 -.221E+02   -.558E-01 0.322E-01 -.582E-01   -.899E-03 0.523E-03 0.566E-03
   -.371E+02 -.769E+01 0.467E+02   0.377E+02 0.797E+01 -.470E+02   -.539E+00 -.272E+00 0.297E+00   -.148E-03 0.156E-03 0.558E-03
   -.726E+01 -.303E+02 0.401E+02   0.744E+01 0.305E+02 -.401E+02   -.187E+00 -.189E+00 -.780E-01   -.110E-02 0.467E-03 0.319E-03
   -.286E+01 -.882E+01 0.164E+02   0.287E+01 0.884E+01 -.163E+02   -.201E-01 -.594E-02 -.388E-01   -.812E-03 0.506E-03 -.628E-06
   0.135E+01 -.779E+00 0.128E+02   -.136E+01 0.784E+00 -.128E+02   -.330E-02 0.191E-02 -.335E-01   -.719E-03 0.417E-03 0.104E-03
   -.374E+01 0.263E+01 0.142E+02   0.374E+01 -.262E+01 -.142E+02   -.132E-01 -.388E-02 -.314E-01   -.110E-02 0.645E-03 0.276E-03
   -.147E+02 -.160E+01 0.176E+02   0.148E+02 0.163E+01 -.175E+02   -.646E-01 -.349E-01 -.505E-01   -.834E-03 0.516E-04 0.353E-03
   -.151E+02 -.115E+02 0.227E+02   0.152E+02 0.116E+02 -.227E+02   -.873E-01 -.433E-01 -.352E-01   -.620E-03 0.396E-03 0.936E-04
   0.286E+01 0.882E+01 0.164E+02   -.287E+01 -.884E+01 -.163E+02   0.201E-01 0.594E-02 -.388E-01   0.812E-03 -.506E-03 -.626E-06
   0.151E+02 0.115E+02 0.227E+02   -.152E+02 -.116E+02 -.227E+02   0.873E-01 0.433E-01 -.352E-01   0.620E-03 -.396E-03 0.936E-04
   0.147E+02 0.160E+01 0.176E+02   -.148E+02 -.163E+01 -.175E+02   0.646E-01 0.349E-01 -.505E-01   0.834E-03 -.516E-04 0.353E-03
   0.374E+01 -.263E+01 0.142E+02   -.374E+01 0.262E+01 -.142E+02   0.132E-01 0.388E-02 -.314E-01   0.110E-02 -.645E-03 0.276E-03
   -.135E+01 0.779E+00 0.128E+02   0.136E+01 -.784E+00 -.128E+02   0.330E-02 -.191E-02 -.335E-01   0.719E-03 -.417E-03 0.104E-03
   -.113E+01 0.122E+02 0.166E+02   0.114E+01 -.122E+02 -.166E+02   0.369E-02 0.206E-01 -.469E-01   0.973E-03 -.384E-03 0.172E-03
   0.726E+01 0.303E+02 0.401E+02   -.744E+01 -.305E+02 -.401E+02   0.187E+00 0.189E+00 -.780E-01   0.110E-02 -.467E-03 0.319E-03
   0.371E+02 0.769E+01 0.467E+02   -.377E+02 -.797E+01 -.470E+02   0.539E+00 0.272E+00 0.297E+00   0.148E-03 -.156E-03 0.558E-03
   0.192E+02 -.111E+02 0.221E+02   -.192E+02 0.111E+02 -.221E+02   0.558E-01 -.322E-01 -.582E-01   0.899E-03 -.523E-03 0.566E-03
   0.415E+01 -.192E+01 0.142E+02   -.414E+01 0.193E+01 -.142E+02   0.325E-02 -.134E-01 -.314E-01   0.111E-02 -.638E-03 0.272E-03
   -.304E+01 0.358E+01 0.155E+02   0.306E+01 -.360E+01 -.155E+02   -.710E-02 0.633E-02 -.748E-02   0.722E-03 -.552E-03 0.291E-03
   -.163E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.259E+02   -.219E+00 0.172E+00 -.318E-01   0.123E-02 -.216E-03 0.470E-03
   -.234E+02 0.135E+02 0.916E+02   0.241E+02 -.139E+02 -.937E+02   -.624E+00 0.360E+00 0.202E+01   0.117E-02 -.673E-03 0.843E-03
   0.119E+02 -.360E+02 0.467E+02   -.119E+02 0.366E+02 -.470E+02   0.344E-01 -.603E+00 0.297E+00   0.211E-03 -.523E-04 0.555E-03
   0.598E+01 -.135E+02 0.176E+02   -.597E+01 0.136E+02 -.175E+02   0.213E-02 -.734E-01 -.505E-01   0.464E-03 -.698E-03 0.347E-03
   -.596E+00 -.394E+01 0.138E+02   0.602E+00 0.393E+01 -.138E+02   0.600E-02 -.172E-02 -.526E-02   0.612E-03 -.451E-03 0.160E-03
   -.902E+01 0.521E+01 0.156E+02   0.907E+01 -.524E+01 -.156E+02   -.398E-01 0.230E-01 -.126E-01   0.358E-03 -.201E-03 0.363E-03
   -.266E+02 0.341E+01 0.259E+02   0.269E+02 -.353E+01 -.259E+02   -.258E+00 0.103E+00 -.318E-01   0.807E-03 -.951E-03 0.475E-03
   -.226E+02 -.214E+02 0.401E+02   0.227E+02 0.217E+02 -.401E+02   -.702E-01 -.256E+00 -.780E-01   0.961E-03 -.722E-03 0.320E-03
   -.242E+01 -.189E+02 0.227E+02   0.243E+01 0.190E+02 -.227E+02   0.620E-02 -.972E-01 -.352E-01   0.659E-03 -.338E-03 0.910E-04
   0.204E+01 -.118E+01 0.135E+02   -.204E+01 0.118E+01 -.134E+02   0.561E-02 -.324E-02 -.336E-01   0.689E-03 -.395E-03 0.986E-05
   0.311E+01 0.248E+01 0.138E+02   -.310E+01 -.249E+01 -.138E+02   0.448E-02 -.433E-02 -.526E-02   0.699E-03 -.296E-03 0.164E-03
   -.462E+01 0.842E+00 0.155E+02   0.465E+01 -.854E+00 -.155E+02   -.903E-02 0.298E-02 -.748E-02   0.842E-03 -.345E-03 0.298E-03
   -.111E+02 -.513E+01 0.166E+02   0.112E+02 0.514E+01 -.166E+02   -.160E-01 -.135E-01 -.469E-01   0.821E-03 -.653E-03 0.177E-03
   -.621E+01 -.689E+01 0.164E+02   0.622E+01 0.691E+01 -.163E+02   0.490E-02 -.204E-01 -.388E-01   0.846E-03 -.451E-03 0.284E-07
 -----------------------------------------------------------------------------------------------
   -.179E-02 0.287E-03 0.101E+02   -.123E-12 -.156E-12 -.657E-12   -.746E-16 -.694E-17 -.101E+02   -.922E-07 0.580E-07 0.983E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85187      6.05998     12.33100         0.000000      0.000000      0.017958
      1.07720      6.50723     13.59333         0.005694     -0.003287     -0.013141
      2.62654      5.61272     13.59333        -0.005694      0.003287     -0.013141
      0.00016     -0.00009      9.97397        -0.012854      0.007421     -0.009941
     -1.23531      2.13771      9.97406        -0.015954      0.004444     -0.006632
     -2.47141      4.27772      9.97927        -0.012298      0.009359      0.005035
     -3.70615      6.41705      9.97634        -0.014068      0.009190      0.009202
     -4.94103      8.55606      9.97438        -0.012415      0.007251      0.001798
      2.47030     -0.00042      9.97438        -0.012487      0.007126      0.001798
      1.23428      2.13741      9.97765        -0.015072     -0.001970      0.006634
     -0.00291      4.27224      9.99213        -0.017311     -0.000730     -0.012689
     -1.23958      6.41726     10.00319        -0.019748      0.011409      0.002427
     -2.47136      8.55600      9.98064        -0.010892      0.006289      0.002661
      4.94018     -0.00035      9.97634        -0.014993      0.007588      0.009202
      3.70533      2.13662      9.98556        -0.007889      0.006739     -0.004210
      2.47046      4.26929     10.02460        -0.011227      0.000401      0.001281
      1.22880      6.41971     10.03377        -0.017247      0.009957      0.012071
     -0.00327      8.55861     10.00319        -0.019755      0.011398      0.002427
      7.41026      0.00000      9.97927        -0.014254      0.005971      0.005035
      6.17491      2.13807      9.97604        -0.012214      0.008048      0.009816
      4.94049      4.27677      9.99585        -0.011473      0.006624     -0.017550
      3.71195      6.41962     10.02460        -0.005961      0.009523      0.001281
      2.47270      8.56014      9.99213        -0.008023      0.015357     -0.012689
      9.88161     -0.00049      9.97406        -0.011825      0.011595     -0.006632
      8.64524      2.13783      9.97395        -0.011476      0.006626     -0.008403
      7.40986      4.27708      9.97604        -0.013077      0.006553      0.009816
      6.17633      6.41652      9.98556        -0.009780      0.003463     -0.004210
      4.94012      8.55611      9.97765        -0.005830      0.014037      0.006634
     -0.00132      1.42526      9.97406         0.011825     -0.011595     -0.006632
     -1.23637      3.56385      9.97765         0.005830     -0.014037      0.006634
     -2.47259      5.70344      9.98556         0.009780     -0.003463     -0.004210
     -3.70612      7.84288      9.97604         0.013077     -0.006553      0.009816
     -4.94149      9.98213      9.97395         0.011476     -0.006626     -0.008403
      2.47003      1.42477      9.97927         0.014254     -0.005971      0.005035
      1.23104      3.55982      9.99213         0.008023     -0.015357     -0.012689
     -0.00820      5.70034     10.02460         0.005961     -0.009523      0.001281
     -1.23674      7.84319      9.99585         0.011473     -0.006624     -0.017550
     -2.47116      9.98189      9.97604         0.012214     -0.008048      0.009816
      4.94012      1.42512      9.97634         0.014993     -0.007588      0.009202
      3.70702      3.56135     10.00319         0.019755     -0.011398      0.002427
      2.47495      5.70025     10.03377         0.017247     -0.009957      0.012071
      1.23329      7.85067     10.02460         0.011227     -0.000401      0.001281
     -0.00159      9.98334      9.98556         0.007889     -0.006739     -0.004210
      7.40999      1.42519      9.97438         0.012487     -0.007126      0.001798
      6.17511      3.56396      9.98064         0.010892     -0.006289      0.002661
      4.94332      5.70269     10.00319         0.019748     -0.011409      0.002427
      3.70666      7.84771      9.99213         0.017311      0.000730     -0.012689
      2.46946      9.98254      9.97765         0.015072      0.001970      0.006634
      9.88014      1.42486      9.97397         0.012854     -0.007421     -0.009941
      8.64478      3.56390      9.97438         0.012415     -0.007251      0.001798
      7.40990      5.70291      9.97634         0.014068     -0.009190      0.009202
      6.17516      7.84224      9.97927         0.012298     -0.009359      0.005035
      4.93906      9.98225      9.97406         0.015954     -0.004444     -0.006632
 -----------------------------------------------------------------------------------
    total drift:                               -0.001790      0.000287      0.001779


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




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


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  150.36: CPU time   75.26
     LOOP+:  VPU time 4096.91: CPU time 2092.70


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


    POTLOK:  VPU time    7.83: CPU time    7.71
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1140.60: CPU time  583.26
 BZINTS: Fermi energy: -3.205020;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.08: CPU time   45.43
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1238.96: CPU time  636.83

 eigenvalue-minimisations  :  4128
 total energy-change (2. order) :-0.4717261E+03  (-0.1433632E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9551893 magnetization   -0.0000004

 Broyden mixing:
  rms(total) = 0.10934E-03    rms(broyden)= 0.10932E-03
  rms(prec ) = 0.15743E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34027.97966118
  -1/2 Hartree   DENC   =    -40918.93524932
  -V(xc)+E(xc)   XCENC  =       726.43234701
  PAW double counting   =      4090.60807582    -4128.92223192
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.32859475
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72613838 eV

  energy without entropy =     -471.72613838  energy(sigma->0) =     -471.72613838


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




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


    POTLOK:  VPU time    7.70: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1154.61: CPU time  590.74
 BZINTS: Fermi energy: -3.205476;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1162.66: CPU time  598.76

 eigenvalue-minimisations  :  4208
 total energy-change (2. order) :-0.2444653E-05  (-0.1482125E-06)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9551893 magnetization   -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34027.97966118
  -1/2 Hartree   DENC   =    -40918.90957839
  -V(xc)+E(xc)   XCENC  =       726.43205760
  PAW double counting   =      4090.61145633    -4128.92560083
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.35399032
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72614082 eV

  energy without entropy =     -471.72614082  energy(sigma->0) =     -471.72614082


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2081       2 -39.5385       3 -39.5386       4 -58.3176       5 -58.3211
       6 -58.3238       7 -58.3188       8 -58.3190       9 -58.3190      10 -58.3249
      11 -58.3908      12 -58.3553      13 -58.3269      14 -58.3188      15 -58.3283
      16 -58.5438      17 -58.7305      18 -58.3553      19 -58.3238      20 -58.3239
      21 -58.3617      22 -58.5439      23 -58.3908      24 -58.3211      25 -58.3267
      26 -58.3239      27 -58.3284      28 -58.3250      29 -58.3210      30 -58.3248
      31 -58.3282      32 -58.3238      33 -58.3266      34 -58.3237      35 -58.3907
      36 -58.5438      37 -58.3617      38 -58.3238      39 -58.3186      40 -58.3552
      41 -58.7303      42 -58.5438      43 -58.3282      44 -58.3189      45 -58.3268
      46 -58.3552      47 -58.3907      48 -58.3249      49 -58.3175      50 -58.3189
      51 -58.3186      52 -58.3237      53 -58.3210
 
 
 
 E-fermi :  -3.2055     XC(G=0):  -2.3420     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     -22.4208      1.00000
      2     -21.5978      1.00000
      3     -21.4768      1.00000
      4     -21.4678      1.00000
      5     -21.4351      1.00000
      6     -21.4347      1.00000
      7     -21.4244      1.00000
      8     -19.7025      1.00000
      9     -19.6490      1.00000
     10     -19.6249      1.00000
     11     -19.6152      1.00000
     12     -19.6082      1.00000
     13     -19.6080      1.00000
     14     -18.7847      1.00000
     15     -18.7519      1.00000
     16     -18.7302      1.00000
     17     -18.7213      1.00000
     18     -18.7163      1.00000
     19     -18.7093      1.00000
     20     -16.6320      1.00000
     21     -16.6096      1.00000
     22     -16.5848      1.00000
     23     -16.5784      1.00000
     24     -16.5533      1.00000
     25     -16.5495      1.00000
     26     -15.6121      1.00000
     27     -15.5979      1.00000
     28     -15.5952      1.00000
     29     -15.5601      1.00000
     30     -15.5599      1.00000
     31     -15.5594      1.00000
     32     -14.2589      1.00000
     33     -14.2486      1.00000
     34     -14.2373      1.00000
     35     -14.2313      1.00000
     36     -14.2202      1.00000
     37     -14.2189      1.00000
     38     -11.9057      1.00000
     39     -11.8793      1.00000
     40     -11.8674      1.00000
     41     -11.8644      1.00000
     42     -11.8452      1.00000
     43     -11.8441      1.00000
     44     -11.7709      1.00000
     45     -11.7650      1.00000
     46     -11.7346      1.00000
     47     -11.7265      1.00000
     48     -11.7216      1.00000
     49     -11.7181      1.00000
     50     -10.6696      1.00000
     51     -10.3862      1.00000
     52     -10.3809      1.00000
     53     -10.3737      1.00000
     54     -10.3683      1.00000
     55     -10.3531      1.00000
     56     -10.3518      1.00000
     57      -9.8983      1.00000
     58      -9.4454      1.00000
     59      -9.4019      1.00000
     60      -9.3582      1.00000
     61      -9.3575      1.00000
     62      -9.3499      1.00000
     63      -9.1452      1.00000
     64      -9.1229      1.00000
     65      -9.1153      1.00000
     66      -9.0829      1.00000
     67      -9.0747      1.00000
     68      -9.0739      1.00000
     69      -9.0726      1.00000
     70      -9.0651      1.00000
     71      -9.0573      1.00000
     72      -9.0358      1.00000
     73      -9.0303      1.00000
     74      -9.0267      1.00000
     75      -8.1342      1.00000
     76      -7.7314      1.00000
     77      -7.4699      1.00000
     78      -7.4676      1.00000
     79      -7.4524      1.00000
     80      -7.4329      1.00000
     81      -7.4281      1.00000
     82      -7.4068      1.00000
     83      -7.3095      1.00000
     84      -7.2684      1.00000
     85      -7.2544      1.00000
     86      -7.2467      1.00000
     87      -7.1544      1.00000
     88      -7.0438      1.00000
     89      -6.4449      1.00000
     90      -6.4126      1.00000
     91      -6.3979      1.00000
     92      -6.3633      1.00000
     93      -6.3518      1.00000
     94      -6.3391      1.00000
     95      -5.9655      1.00000
     96      -5.9550      1.00000
     97      -4.7970      1.00000
     98      -4.5409      1.00000
     99      -4.4819      1.00000
    100      -4.4705      1.00000
    101      -4.3831      1.00000
    102      -4.3812      1.00000
    103      -4.2658      1.00000
    104      -4.1846      1.00000
    105      -3.7345      1.00000
    106      -3.4705      1.00000
    107      -1.8605      0.00000
    108      -1.6762      0.00000
    109      -1.6264      0.00000
    110      -1.5927      0.00000
    111      -1.5798      0.00000
    112      -1.5779      0.00000
    113      -0.4297      0.00000
    114       0.1368      0.00000
    115       0.1906      0.00000
    116       0.2534      0.00000
    117       0.2609      0.00000
    118       0.2684      0.00000
    119       0.4715      0.00000
    120       0.5583      0.00000
    121       1.2549      0.00000
    122       1.2914      0.00000
    123       1.5437      0.00000
    124       1.7705      0.00000
    125       1.7819      0.00000
    126       1.7850      0.00000
    127       1.7859      0.00000
    128       1.8308      0.00000
    129       1.9533      0.00000
    130       1.9673      0.00000
    131       1.9677      0.00000
    132       1.9833      0.00000
    133       1.9899      0.00000
    134       2.0835      0.00000
    135       2.2662      0.00000
    136       2.3366      0.00000
    137       2.6357      0.00000
    138       2.6389      0.00000
    139       2.6683      0.00000
    140       2.7189      0.00000
    141       2.9420      0.00000
    142       3.0244      0.00000
    143       3.0377      0.00000
    144       3.0578      0.00000
    145       3.0591      0.00000
    146       3.0599      0.00000
    147       3.1030      0.00000
    148       3.2804      0.00000
    149       3.4493      0.00000
    150       3.5224      0.00000
    151       3.8144      0.00000
    152       3.9593      0.00000
    153       3.9605      0.00000
    154       3.9648      0.00000
    155       3.9661      0.00000
    156       4.0033      0.00000
    157       4.1933      0.00000
    158       4.2682      0.00000
    159       4.2829      0.00000
    160       4.2889      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3841      1.00000
      2     -21.8251      1.00000
      3     -21.6330      1.00000
      4     -21.6054      1.00000
      5     -21.2699      1.00000
      6     -21.2302      1.00000
      7     -21.0516      1.00000
      8     -20.1632      1.00000
      9     -20.1247      1.00000
     10     -19.6051      1.00000
     11     -19.5942      1.00000
     12     -19.4124      1.00000
     13     -19.0851      1.00000
     14     -19.0576      1.00000
     15     -19.0449      1.00000
     16     -19.0373      1.00000
     17     -18.3577      1.00000
     18     -18.3493      1.00000
     19     -18.0149      1.00000
     20     -17.0661      1.00000
     21     -17.0272      1.00000
     22     -16.9410      1.00000
     23     -16.9390      1.00000
     24     -16.4663      1.00000
     25     -16.4638      1.00000
     26     -15.6124      1.00000
     27     -15.6041      1.00000
     28     -15.2508      1.00000
     29     -15.2400      1.00000
     30     -15.1807      1.00000
     31     -15.0946      1.00000
     32     -15.0675      1.00000
     33     -14.6985      1.00000
     34     -14.6936      1.00000
     35     -13.7271      1.00000
     36     -13.7211      1.00000
     37     -13.2323      1.00000
     38     -12.6130      1.00000
     39     -12.5829      1.00000
     40     -12.4515      1.00000
     41     -12.4453      1.00000
     42     -12.1095      1.00000
     43     -12.1038      1.00000
     44     -11.7171      1.00000
     45     -11.6865      1.00000
     46     -11.2368      1.00000
     47     -11.2252      1.00000
     48     -11.0160      1.00000
     49     -11.0050      1.00000
     50     -10.9254      1.00000
     51     -10.9043      1.00000
     52     -10.6241      1.00000
     53     -10.1527      1.00000
     54     -10.1482      1.00000
     55     -10.0892      1.00000
     56      -9.9935      1.00000
     57      -9.7022      1.00000
     58      -9.6906      1.00000
     59      -9.6529      1.00000
     60      -9.5888      1.00000
     61      -9.5803      1.00000
     62      -9.5565      1.00000
     63      -9.3072      1.00000
     64      -9.2981      1.00000
     65      -9.2716      1.00000
     66      -9.2380      1.00000
     67      -9.1324      1.00000
     68      -9.1139      1.00000
     69      -9.1077      1.00000
     70      -8.9358      1.00000
     71      -8.8745      1.00000
     72      -8.6073      1.00000
     73      -8.5921      1.00000
     74      -8.2367      1.00000
     75      -8.0990      1.00000
     76      -7.9067      1.00000
     77      -7.8666      1.00000
     78      -7.7711      1.00000
     79      -7.7555      1.00000
     80      -7.6929      1.00000
     81      -7.5519      1.00000
     82      -7.3385      1.00000
     83      -7.3216      1.00000
     84      -7.2035      1.00000
     85      -7.1198      1.00000
     86      -7.0302      1.00000
     87      -7.0163      1.00000
     88      -6.7022      1.00000
     89      -6.6774      1.00000
     90      -6.6390      1.00000
     91      -6.5960      1.00000
     92      -6.1153      1.00000
     93      -6.0621      1.00000
     94      -6.0331      1.00000
     95      -6.0113      1.00000
     96      -5.7812      1.00000
     97      -4.9683      1.00000
     98      -4.8315      1.00000
     99      -4.7458      1.00000
    100      -4.6779      1.00000
    101      -4.4624      1.00000
    102      -4.1994      1.00000
    103      -4.1714      1.00000
    104      -4.1276      1.00000
    105      -3.7252      1.00000
    106      -3.4805      1.00000
    107      -1.8709      0.00000
    108      -1.8133      0.00000
    109      -1.5247      0.00000
    110      -1.3821      0.00000
    111      -1.3243      0.00000
    112      -1.2906      0.00000
    113      -0.7207      0.00000
    114      -0.3782      0.00000
    115      -0.2565      0.00000
    116       0.0323      0.00000
    117       0.5611      0.00000
    118       0.6941      0.00000
    119       0.7439      0.00000
    120       1.0454      0.00000
    121       1.0951      0.00000
    122       1.1514      0.00000
    123       1.2256      0.00000
    124       1.3848      0.00000
    125       1.5286      0.00000
    126       1.5975      0.00000
    127       1.7208      0.00000
    128       1.7976      0.00000
    129       1.8516      0.00000
    130       1.8785      0.00000
    131       2.0961      0.00000
    132       2.2010      0.00000
    133       2.2462      0.00000
    134       2.3201      0.00000
    135       2.5241      0.00000
    136       2.6060      0.00000
    137       2.6145      0.00000
    138       2.7806      0.00000
    139       2.7902      0.00000
    140       2.8189      0.00000
    141       2.8275      0.00000
    142       2.9037      0.00000
    143       2.9347      0.00000
    144       3.1035      0.00000
    145       3.1672      0.00000
    146       3.3220      0.00000
    147       3.3504      0.00000
    148       3.4030      0.00000
    149       3.4707      0.00000
    150       3.6052      0.00000
    151       3.6428      0.00000
    152       3.6623      0.00000
    153       3.7122      0.00000
    154       3.9237      0.00000
    155       3.9673      0.00000
    156       4.0248      0.00000
    157       4.0733      0.00000
    158       4.2434      0.00000
    159       4.2575      0.00000
    160       4.2853      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2782      1.00000
      2     -22.0724      1.00000
      3     -21.7115      1.00000
      4     -21.6797      1.00000
      5     -20.9746      1.00000
      6     -20.9339      1.00000
      7     -20.6070      1.00000
      8     -20.5704      1.00000
      9     -20.5640      1.00000
     10     -20.0277      1.00000
     11     -19.5000      1.00000
     12     -19.4885      1.00000
     13     -19.3034      1.00000
     14     -19.2981      1.00000
     15     -18.4438      1.00000
     16     -18.4068      1.00000
     17     -17.9191      1.00000
     18     -17.9106      1.00000
     19     -17.7581      1.00000
     20     -17.7220      1.00000
     21     -17.4330      1.00000
     22     -17.4266      1.00000
     23     -17.3373      1.00000
     24     -16.4619      1.00000
     25     -16.4615      1.00000
     26     -15.9622      1.00000
     27     -15.4134      1.00000
     28     -15.4058      1.00000
     29     -15.0963      1.00000
     30     -15.0901      1.00000
     31     -14.8534      1.00000
     32     -14.8452      1.00000
     33     -14.2876      1.00000
     34     -14.2546      1.00000
     35     -13.4346      1.00000
     36     -13.4020      1.00000
     37     -13.1780      1.00000
     38     -13.1717      1.00000
     39     -12.9774      1.00000
     40     -12.9718      1.00000
     41     -12.6136      1.00000
     42     -12.6079      1.00000
     43     -12.1947      1.00000
     44     -11.5763      1.00000
     45     -11.5428      1.00000
     46     -11.3096      1.00000
     47     -11.2875      1.00000
     48     -11.1392      1.00000
     49     -10.6771      1.00000
     50     -10.6601      1.00000
     51     -10.5475      1.00000
     52     -10.3206      1.00000
     53     -10.3143      1.00000
     54     -10.1667      1.00000
     55     -10.1164      1.00000
     56     -10.1126      1.00000
     57      -9.7945      1.00000
     58      -9.7579      1.00000
     59      -9.7524      1.00000
     60      -9.7015      1.00000
     61      -9.6910      1.00000
     62      -9.6576      1.00000
     63      -9.3538      1.00000
     64      -9.3475      1.00000
     65      -9.3178      1.00000
     66      -9.0373      1.00000
     67      -8.9574      1.00000
     68      -8.9505      1.00000
     69      -8.7952      1.00000
     70      -8.5959      1.00000
     71      -8.5565      1.00000
     72      -8.3943      1.00000
     73      -8.3611      1.00000
     74      -8.3254      1.00000
     75      -8.3059      1.00000
     76      -8.2613      1.00000
     77      -8.2570      1.00000
     78      -8.2388      1.00000
     79      -7.9054      1.00000
     80      -7.6495      1.00000
     81      -7.5410      1.00000
     82      -7.3853      1.00000
     83      -7.3482      1.00000
     84      -7.2297      1.00000
     85      -7.0965      1.00000
     86      -7.0362      1.00000
     87      -6.9328      1.00000
     88      -6.8454      1.00000
     89      -6.6166      1.00000
     90      -6.5580      1.00000
     91      -6.2740      1.00000
     92      -6.0412      1.00000
     93      -5.9496      1.00000
     94      -5.6603      1.00000
     95      -5.6227      1.00000
     96      -5.4599      1.00000
     97      -5.3173      1.00000
     98      -5.2781      1.00000
     99      -5.2119      1.00000
    100      -5.1944      1.00000
    101      -4.5000      1.00000
    102      -4.2029      1.00000
    103      -4.0562      1.00000
    104      -3.9897      1.00000
    105      -3.6912      1.00000
    106      -3.4907      1.00000
    107      -1.9477      0.00000
    108      -1.9001      0.00000
    109      -1.3370      0.00000
    110      -1.0874      0.00000
    111      -1.0632      0.00000
    112      -0.8028      0.00000
    113      -0.6839      0.00000
    114      -0.6490      0.00000
    115      -0.6104      0.00000
    116      -0.1121      0.00000
    117       0.2115      0.00000
    118       0.3242      0.00000
    119       0.7027      0.00000
    120       0.8913      0.00000
    121       1.1225      0.00000
    122       1.1955      0.00000
    123       1.3319      0.00000
    124       1.4289      0.00000
    125       1.5527      0.00000
    126       1.5736      0.00000
    127       1.6956      0.00000
    128       1.8091      0.00000
    129       1.8868      0.00000
    130       2.0583      0.00000
    131       2.1055      0.00000
    132       2.3020      0.00000
    133       2.3501      0.00000
    134       2.4145      0.00000
    135       2.5619      0.00000
    136       2.6374      0.00000
    137       2.7232      0.00000
    138       2.7404      0.00000
    139       2.7968      0.00000
    140       2.8868      0.00000
    141       3.0529      0.00000
    142       3.0643      0.00000
    143       3.1791      0.00000
    144       3.2735      0.00000
    145       3.3679      0.00000
    146       3.4236      0.00000
    147       3.4459      0.00000
    148       3.5623      0.00000
    149       3.5802      0.00000
    150       3.6052      0.00000
    151       3.6574      0.00000
    152       3.6827      0.00000
    153       3.7705      0.00000
    154       3.7790      0.00000
    155       3.8112      0.00000
    156       3.8956      0.00000
    157       3.9349      0.00000
    158       4.0023      0.00000
    159       4.2231      0.00000
    160       4.2323      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3121      1.00000
      2     -21.9575      1.00000
      3     -21.8883      1.00000
      4     -21.3761      1.00000
      5     -21.3473      1.00000
      6     -20.8344      1.00000
      7     -20.7690      1.00000
      8     -20.6187      1.00000
      9     -20.0741      1.00000
     10     -20.0687      1.00000
     11     -19.7120      1.00000
     12     -19.6879      1.00000
     13     -18.9931      1.00000
     14     -18.9875      1.00000
     15     -18.6385      1.00000
     16     -18.6232      1.00000
     17     -18.4568      1.00000
     18     -17.6707      1.00000
     19     -17.6210      1.00000
     20     -17.6176      1.00000
     21     -17.5752      1.00000
     22     -17.1250      1.00000
     23     -17.1037      1.00000
     24     -16.9632      1.00000
     25     -16.0030      1.00000
     26     -15.9271      1.00000
     27     -15.5816      1.00000
     28     -15.5814      1.00000
     29     -15.2849      1.00000
     30     -14.8616      1.00000
     31     -14.8349      1.00000
     32     -14.5754      1.00000
     33     -14.5330      1.00000
     34     -14.1702      1.00000
     35     -14.1559      1.00000
     36     -13.1482      1.00000
     37     -13.0947      1.00000
     38     -13.0250      1.00000
     39     -13.0159      1.00000
     40     -12.7054      1.00000
     41     -12.7015      1.00000
     42     -12.3406      1.00000
     43     -12.3085      1.00000
     44     -11.6385      1.00000
     45     -11.6256      1.00000
     46     -11.5710      1.00000
     47     -10.9502      1.00000
     48     -10.9168      1.00000
     49     -10.6275      1.00000
     50     -10.6222      1.00000
     51     -10.5440      1.00000
     52     -10.5007      1.00000
     53     -10.4998      1.00000
     54     -10.4387      1.00000
     55     -10.3531      1.00000
     56     -10.0943      1.00000
     57      -9.8990      1.00000
     58      -9.6018      1.00000
     59      -9.5486      1.00000
     60      -9.4518      1.00000
     61      -9.4141      1.00000
     62      -9.4033      1.00000
     63      -9.3727      1.00000
     64      -9.3716      1.00000
     65      -9.2836      1.00000
     66      -9.1722      1.00000
     67      -9.1478      1.00000
     68      -9.1162      1.00000
     69      -8.8666      1.00000
     70      -8.8601      1.00000
     71      -8.8125      1.00000
     72      -8.5928      1.00000
     73      -8.4766      1.00000
     74      -8.2013      1.00000
     75      -8.1660      1.00000
     76      -8.0102      1.00000
     77      -7.9563      1.00000
     78      -7.8462      1.00000
     79      -7.8360      1.00000
     80      -7.7053      1.00000
     81      -7.6952      1.00000
     82      -7.6227      1.00000
     83      -7.4427      1.00000
     84      -7.3029      1.00000
     85      -7.2455      1.00000
     86      -6.9085      1.00000
     87      -6.8959      1.00000
     88      -6.5878      1.00000
     89      -6.5491      1.00000
     90      -6.4034      1.00000
     91      -6.2539      1.00000
     92      -6.2321      1.00000
     93      -6.2112      1.00000
     94      -6.0200      1.00000
     95      -5.5474      1.00000
     96      -5.4865      1.00000
     97      -5.3468      1.00000
     98      -5.2177      1.00000
     99      -4.9804      1.00000
    100      -4.7286      1.00000
    101      -4.6766      1.00000
    102      -4.3836      1.00000
    103      -4.1982      1.00000
    104      -3.8651      1.00000
    105      -3.5471      1.00000
    106      -3.5020      1.00000
    107      -2.2595      0.00000
    108      -1.4551      0.00000
    109      -1.3768      0.00000
    110      -1.2454      0.00000
    111      -1.0984      0.00000
    112      -0.9464      0.00000
    113      -0.8658      0.00000
    114      -0.8064      0.00000
    115      -0.1439      0.00000
    116       0.1023      0.00000
    117       0.2346      0.00000
    118       0.3726      0.00000
    119       0.6615      0.00000
    120       0.8332      0.00000
    121       0.9330      0.00000
    122       1.0668      0.00000
    123       1.2438      0.00000
    124       1.4475      0.00000
    125       1.5715      0.00000
    126       1.7630      0.00000
    127       1.7891      0.00000
    128       1.8637      0.00000
    129       1.9897      0.00000
    130       2.0385      0.00000
    131       2.1837      0.00000
    132       2.1920      0.00000
    133       2.4197      0.00000
    134       2.4268      0.00000
    135       2.5051      0.00000
    136       2.5967      0.00000
    137       2.6281      0.00000
    138       2.7079      0.00000
    139       2.7836      0.00000
    140       2.8511      0.00000
    141       2.9665      0.00000
    142       3.0893      0.00000
    143       3.1774      0.00000
    144       3.2101      0.00000
    145       3.2389      0.00000
    146       3.3261      0.00000
    147       3.3343      0.00000
    148       3.4766      0.00000
    149       3.5175      0.00000
    150       3.6946      0.00000
    151       3.7253      0.00000
    152       3.7314      0.00000
    153       3.8657      0.00000
    154       3.9069      0.00000
    155       3.9531      0.00000
    156       3.9765      0.00000
    157       3.9878      0.00000
    158       4.0402      0.00000
    159       4.0556      0.00000
    160       4.0612      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2054      1.00000
      2     -22.1119      1.00000
      3     -21.9515      1.00000
      4     -21.3996      1.00000
      5     -21.0446      1.00000
      6     -21.0093      1.00000
      7     -20.4959      1.00000
      8     -20.4571      1.00000
      9     -20.2897      1.00000
     10     -20.2709      1.00000
     11     -19.9542      1.00000
     12     -19.8878      1.00000
     13     -18.8800      1.00000
     14     -18.8106      1.00000
     15     -18.3485      1.00000
     16     -18.3032      1.00000
     17     -18.1497      1.00000
     18     -18.1330      1.00000
     19     -17.8227      1.00000
     20     -17.7861      1.00000
     21     -17.2489      1.00000
     22     -17.2419      1.00000
     23     -17.1616      1.00000
     24     -17.1316      1.00000
     25     -16.1051      1.00000
     26     -15.8831      1.00000
     27     -15.8672      1.00000
     28     -15.8341      1.00000
     29     -15.2346      1.00000
     30     -14.5543      1.00000
     31     -14.5263      1.00000
     32     -14.2790      1.00000
     33     -13.9617      1.00000
     34     -13.9527      1.00000
     35     -13.8194      1.00000
     36     -13.8030      1.00000
     37     -13.6132      1.00000
     38     -13.5700      1.00000
     39     -13.3648      1.00000
     40     -12.6303      1.00000
     41     -12.1807      1.00000
     42     -12.1329      1.00000
     43     -12.0710      1.00000
     44     -12.0175      1.00000
     45     -11.6667      1.00000
     46     -11.6536      1.00000
     47     -11.1402      1.00000
     48     -11.1193      1.00000
     49     -10.7963      1.00000
     50     -10.7313      1.00000
     51     -10.5218      1.00000
     52     -10.2071      1.00000
     53     -10.2017      1.00000
     54     -10.1600      1.00000
     55     -10.0157      1.00000
     56      -9.9999      1.00000
     57      -9.9875      1.00000
     58      -9.8027      1.00000
     59      -9.7916      1.00000
     60      -9.7647      1.00000
     61      -9.7573      1.00000
     62      -9.4566      1.00000
     63      -9.4132      1.00000
     64      -9.0779      1.00000
     65      -9.0692      1.00000
     66      -9.0398      1.00000
     67      -8.9565      1.00000
     68      -8.8736      1.00000
     69      -8.7112      1.00000
     70      -8.6968      1.00000
     71      -8.5677      1.00000
     72      -8.5458      1.00000
     73      -8.4974      1.00000
     74      -8.4597      1.00000
     75      -8.4555      1.00000
     76      -8.2566      1.00000
     77      -8.1221      1.00000
     78      -8.0395      1.00000
     79      -7.9146      1.00000
     80      -7.8600      1.00000
     81      -7.6150      1.00000
     82      -7.5484      1.00000
     83      -7.4943      1.00000
     84      -7.2598      1.00000
     85      -6.9940      1.00000
     86      -6.9236      1.00000
     87      -6.8815      1.00000
     88      -6.5360      1.00000
     89      -6.4898      1.00000
     90      -6.4607      1.00000
     91      -6.4091      1.00000
     92      -5.9810      1.00000
     93      -5.8956      1.00000
     94      -5.7821      1.00000
     95      -5.7595      1.00000
     96      -5.4286      1.00000
     97      -5.3278      1.00000
     98      -5.2289      1.00000
     99      -5.2158      1.00000
    100      -5.1892      1.00000
    101      -4.6894      1.00000
    102      -4.4163      1.00000
    103      -4.2045      1.00000
    104      -3.8271      1.00000
    105      -3.5213      1.00000
    106      -3.2758      1.00000
    107      -2.5334      0.00000
    108      -1.4562      0.00000
    109      -1.2710      0.00000
    110      -1.2057      0.00000
    111      -1.1760      0.00000
    112      -0.7220      0.00000
    113      -0.5072      0.00000
    114      -0.4162      0.00000
    115      -0.3443      0.00000
    116      -0.1496      0.00000
    117      -0.0060      0.00000
    118       0.1891      0.00000
    119       0.5553      0.00000
    120       0.6086      0.00000
    121       0.8049      0.00000
    122       0.9125      0.00000
    123       1.1403      0.00000
    124       1.5050      0.00000
    125       1.6408      0.00000
    126       1.8719      0.00000
    127       1.9395      0.00000
    128       2.1107      0.00000
    129       2.1179      0.00000
    130       2.1293      0.00000
    131       2.1688      0.00000
    132       2.2742      0.00000
    133       2.3154      0.00000
    134       2.4541      0.00000
    135       2.5776      0.00000
    136       2.6660      0.00000
    137       2.8594      0.00000
    138       2.8686      0.00000
    139       2.9038      0.00000
    140       3.0190      0.00000
    141       3.0328      0.00000
    142       3.1514      0.00000
    143       3.1524      0.00000
    144       3.2314      0.00000
    145       3.2767      0.00000
    146       3.2845      0.00000
    147       3.3080      0.00000
    148       3.3526      0.00000
    149       3.4364      0.00000
    150       3.4588      0.00000
    151       3.5630      0.00000
    152       3.6241      0.00000
    153       3.6766      0.00000
    154       3.7150      0.00000
    155       3.7869      0.00000
    156       3.9033      0.00000
    157       3.9416      0.00000
    158       4.0132      0.00000
    159       4.1531      0.00000
    160       4.2396      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3120      1.00000
      2     -21.9592      1.00000
      3     -21.8867      1.00000
      4     -21.3791      1.00000
      5     -21.3433      1.00000
      6     -20.8352      1.00000
      7     -20.7684      1.00000
      8     -20.6208      1.00000
      9     -20.0846      1.00000
     10     -20.0564      1.00000
     11     -19.7142      1.00000
     12     -19.6859      1.00000
     13     -19.0057      1.00000
     14     -18.9751      1.00000
     15     -18.6449      1.00000
     16     -18.6131      1.00000
     17     -18.4583      1.00000
     18     -17.6582      1.00000
     19     -17.6461      1.00000
     20     -17.6087      1.00000
     21     -17.5758      1.00000
     22     -17.1341      1.00000
     23     -17.0950      1.00000
     24     -16.9625      1.00000
     25     -16.0057      1.00000
     26     -15.9183      1.00000
     27     -15.5964      1.00000
     28     -15.5726      1.00000
     29     -15.2780      1.00000
     30     -14.8742      1.00000
     31     -14.8275      1.00000
     32     -14.5750      1.00000
     33     -14.5361      1.00000
     34     -14.1607      1.00000
     35     -14.1558      1.00000
     36     -13.1614      1.00000
     37     -13.0943      1.00000
     38     -13.0234      1.00000
     39     -13.0180      1.00000
     40     -12.7180      1.00000
     41     -12.6946      1.00000
     42     -12.3376      1.00000
     43     -12.3086      1.00000
     44     -11.6289      1.00000
     45     -11.6202      1.00000
     46     -11.5667      1.00000
     47     -10.9391      1.00000
     48     -10.9188      1.00000
     49     -10.6652      1.00000
     50     -10.5920      1.00000
     51     -10.5704      1.00000
     52     -10.4960      1.00000
     53     -10.4869      1.00000
     54     -10.4402      1.00000
     55     -10.3578      1.00000
     56     -10.0986      1.00000
     57      -9.8932      1.00000
     58      -9.6114      1.00000
     59      -9.5526      1.00000
     60      -9.4505      1.00000
     61      -9.4131      1.00000
     62      -9.4087      1.00000
     63      -9.3817      1.00000
     64      -9.3732      1.00000
     65      -9.2633      1.00000
     66      -9.1635      1.00000
     67      -9.1398      1.00000
     68      -9.1139      1.00000
     69      -8.8658      1.00000
     70      -8.8550      1.00000
     71      -8.7994      1.00000
     72      -8.5928      1.00000
     73      -8.5227      1.00000
     74      -8.1926      1.00000
     75      -8.1682      1.00000
     76      -8.0758      1.00000
     77      -7.8603      1.00000
     78      -7.8386      1.00000
     79      -7.8201      1.00000
     80      -7.7126      1.00000
     81      -7.6973      1.00000
     82      -7.5983      1.00000
     83      -7.5228      1.00000
     84      -7.3491      1.00000
     85      -7.1635      1.00000
     86      -6.9061      1.00000
     87      -6.8951      1.00000
     88      -6.5905      1.00000
     89      -6.5502      1.00000
     90      -6.4101      1.00000
     91      -6.2995      1.00000
     92      -6.2455      1.00000
     93      -6.2004      1.00000
     94      -6.0027      1.00000
     95      -5.5292      1.00000
     96      -5.4661      1.00000
     97      -5.3127      1.00000
     98      -5.2095      1.00000
     99      -5.0436      1.00000
    100      -4.7199      1.00000
    101      -4.6706      1.00000
    102      -4.4182      1.00000
    103      -4.1905      1.00000
    104      -3.8362      1.00000
    105      -3.6309      1.00000
    106      -3.4131      1.00000
    107      -2.2941      0.00000
    108      -1.5085      0.00000
    109      -1.2731      0.00000
    110      -1.2663      0.00000
    111      -1.0357      0.00000
    112      -0.9841      0.00000
    113      -0.8714      0.00000
    114      -0.8039      0.00000
    115      -0.2640      0.00000
    116       0.2016      0.00000
    117       0.2357      0.00000
    118       0.3559      0.00000
    119       0.6971      0.00000
    120       0.8885      0.00000
    121       0.9203      0.00000
    122       1.0463      0.00000
    123       1.1713      0.00000
    124       1.5145      0.00000
    125       1.5787      0.00000
    126       1.7111      0.00000
    127       1.7750      0.00000
    128       1.8265      0.00000
    129       1.9537      0.00000
    130       2.0061      0.00000
    131       2.1704      0.00000
    132       2.2801      0.00000
    133       2.4226      0.00000
    134       2.4335      0.00000
    135       2.5001      0.00000
    136       2.5978      0.00000
    137       2.6141      0.00000
    138       2.7117      0.00000
    139       2.7607      0.00000
    140       2.8770      0.00000
    141       3.0471      0.00000
    142       3.0887      0.00000
    143       3.1803      0.00000
    144       3.2288      0.00000
    145       3.2411      0.00000
    146       3.3016      0.00000
    147       3.3584      0.00000
    148       3.4631      0.00000
    149       3.5376      0.00000
    150       3.6984      0.00000
    151       3.7146      0.00000
    152       3.7613      0.00000
    153       3.8342      0.00000
    154       3.8857      0.00000
    155       3.9414      0.00000
    156       3.9828      0.00000
    157       3.9964      0.00000
    158       4.0239      0.00000
    159       4.0399      0.00000
    160       4.1063      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3841      1.00000
      2     -21.8258      1.00000
      3     -21.6354      1.00000
      4     -21.6014      1.00000
      5     -21.2735      1.00000
      6     -21.2270      1.00000
      7     -21.0520      1.00000
      8     -20.1672      1.00000
      9     -20.1217      1.00000
     10     -19.6112      1.00000
     11     -19.5856      1.00000
     12     -19.4130      1.00000
     13     -19.0907      1.00000
     14     -19.0517      1.00000
     15     -19.0476      1.00000
     16     -19.0356      1.00000
     17     -18.3625      1.00000
     18     -18.3432      1.00000
     19     -18.0160      1.00000
     20     -17.0717      1.00000
     21     -17.0240      1.00000
     22     -16.9472      1.00000
     23     -16.9335      1.00000
     24     -16.4704      1.00000
     25     -16.4588      1.00000
     26     -15.6044      1.00000
     27     -15.6038      1.00000
     28     -15.2483      1.00000
     29     -15.2363      1.00000
     30     -15.1914      1.00000
     31     -15.1007      1.00000
     32     -15.0680      1.00000
     33     -14.6940      1.00000
     34     -14.6930      1.00000
     35     -13.7217      1.00000
     36     -13.7216      1.00000
     37     -13.2375      1.00000
     38     -12.6253      1.00000
     39     -12.5813      1.00000
     40     -12.4534      1.00000
     41     -12.4482      1.00000
     42     -12.1040      1.00000
     43     -12.0990      1.00000
     44     -11.7142      1.00000
     45     -11.6761      1.00000
     46     -11.2441      1.00000
     47     -11.2233      1.00000
     48     -11.0184      1.00000
     49     -11.0070      1.00000
     50     -10.9226      1.00000
     51     -10.8942      1.00000
     52     -10.6303      1.00000
     53     -10.1722      1.00000
     54     -10.1495      1.00000
     55     -10.0898      1.00000
     56      -9.9865      1.00000
     57      -9.6958      1.00000
     58      -9.6884      1.00000
     59      -9.6666      1.00000
     60      -9.5894      1.00000
     61      -9.5661      1.00000
     62      -9.5491      1.00000
     63      -9.3138      1.00000
     64      -9.3030      1.00000
     65      -9.2796      1.00000
     66      -9.2356      1.00000
     67      -9.1196      1.00000
     68      -9.1142      1.00000
     69      -9.1119      1.00000
     70      -8.9359      1.00000
     71      -8.8681      1.00000
     72      -8.6025      1.00000
     73      -8.5848      1.00000
     74      -8.2699      1.00000
     75      -8.1073      1.00000
     76      -7.8623      1.00000
     77      -7.8412      1.00000
     78      -7.7888      1.00000
     79      -7.7681      1.00000
     80      -7.7586      1.00000
     81      -7.4372      1.00000
     82      -7.3382      1.00000
     83      -7.3263      1.00000
     84      -7.2623      1.00000
     85      -7.1631      1.00000
     86      -7.0103      1.00000
     87      -6.9848      1.00000
     88      -6.7145      1.00000
     89      -6.6898      1.00000
     90      -6.6305      1.00000
     91      -6.5886      1.00000
     92      -6.1242      1.00000
     93      -6.0554      1.00000
     94      -6.0434      1.00000
     95      -6.0262      1.00000
     96      -5.7483      1.00000
     97      -4.9690      1.00000
     98      -4.8375      1.00000
     99      -4.7093      1.00000
    100      -4.6743      1.00000
    101      -4.4784      1.00000
    102      -4.3454      1.00000
    103      -4.1108      1.00000
    104      -4.0542      1.00000
    105      -3.7501      1.00000
    106      -3.4589      1.00000
    107      -1.9504      0.00000
    108      -1.7738      0.00000
    109      -1.4822      0.00000
    110      -1.3569      0.00000
    111      -1.3408      0.00000
    112      -1.2966      0.00000
    113      -0.6845      0.00000
    114      -0.4734      0.00000
    115      -0.2369      0.00000
    116       0.0476      0.00000
    117       0.5957      0.00000
    118       0.6902      0.00000
    119       0.7657      0.00000
    120       1.0154      0.00000
    121       1.0920      0.00000
    122       1.1727      0.00000
    123       1.2512      0.00000
    124       1.3393      0.00000
    125       1.4480      0.00000
    126       1.6112      0.00000
    127       1.7500      0.00000
    128       1.8441      0.00000
    129       1.8518      0.00000
    130       1.8908      0.00000
    131       2.0359      0.00000
    132       2.2250      0.00000
    133       2.2503      0.00000
    134       2.3065      0.00000
    135       2.4849      0.00000
    136       2.6018      0.00000
    137       2.6364      0.00000
    138       2.7734      0.00000
    139       2.7908      0.00000
    140       2.8306      0.00000
    141       2.8399      0.00000
    142       2.8455      0.00000
    143       2.9269      0.00000
    144       3.1108      0.00000
    145       3.3200      0.00000
    146       3.3466      0.00000
    147       3.3769      0.00000
    148       3.4068      0.00000
    149       3.4277      0.00000
    150       3.5900      0.00000
    151       3.6347      0.00000
    152       3.6833      0.00000
    153       3.7358      0.00000
    154       3.9007      0.00000
    155       3.9380      0.00000
    156       3.9557      0.00000
    157       4.1145      0.00000
    158       4.2107      0.00000
    159       4.2614      0.00000
    160       4.2882      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2045      1.00000
      2     -22.1135      1.00000
      3     -21.9509      1.00000
      4     -21.3990      1.00000
      5     -21.0412      1.00000
      6     -21.0133      1.00000
      7     -20.4912      1.00000
      8     -20.4618      1.00000
      9     -20.2824      1.00000
     10     -20.2806      1.00000
     11     -19.9515      1.00000
     12     -19.8881      1.00000
     13     -18.8782      1.00000
     14     -18.8104      1.00000
     15     -18.3358      1.00000
     16     -18.3171      1.00000
     17     -18.1457      1.00000
     18     -18.1381      1.00000
     19     -17.8139      1.00000
     20     -17.7962      1.00000
     21     -17.2548      1.00000
     22     -17.2355      1.00000
     23     -17.1617      1.00000
     24     -17.1304      1.00000
     25     -16.1139      1.00000
     26     -15.8752      1.00000
     27     -15.8643      1.00000
     28     -15.8364      1.00000
     29     -15.2318      1.00000
     30     -14.5459      1.00000
     31     -14.5279      1.00000
     32     -14.2761      1.00000
     33     -13.9763      1.00000
     34     -13.9520      1.00000
     35     -13.8252      1.00000
     36     -13.8022      1.00000
     37     -13.6016      1.00000
     38     -13.5769      1.00000
     39     -13.3660      1.00000
     40     -12.6363      1.00000
     41     -12.1664      1.00000
     42     -12.1403      1.00000
     43     -12.0628      1.00000
     44     -12.0152      1.00000
     45     -11.6684      1.00000
     46     -11.6639      1.00000
     47     -11.1332      1.00000
     48     -11.1227      1.00000
     49     -10.7837      1.00000
     50     -10.7269      1.00000
     51     -10.5289      1.00000
     52     -10.2104      1.00000
     53     -10.2043      1.00000
     54     -10.1659      1.00000
     55     -10.0220      1.00000
     56      -9.9908      1.00000
     57      -9.9904      1.00000
     58      -9.8073      1.00000
     59      -9.7981      1.00000
     60      -9.7650      1.00000
     61      -9.7567      1.00000
     62      -9.4467      1.00000
     63      -9.4123      1.00000
     64      -9.0851      1.00000
     65      -9.0473      1.00000
     66      -9.0232      1.00000
     67      -8.9671      1.00000
     68      -8.8942      1.00000
     69      -8.7109      1.00000
     70      -8.7020      1.00000
     71      -8.5536      1.00000
     72      -8.5433      1.00000
     73      -8.4764      1.00000
     74      -8.4598      1.00000
     75      -8.4560      1.00000
     76      -8.3029      1.00000
     77      -8.0912      1.00000
     78      -8.0878      1.00000
     79      -7.9294      1.00000
     80      -7.8316      1.00000
     81      -7.5968      1.00000
     82      -7.5344      1.00000
     83      -7.4496      1.00000
     84      -7.3010      1.00000
     85      -6.9992      1.00000
     86      -6.9257      1.00000
     87      -6.8868      1.00000
     88      -6.5250      1.00000
     89      -6.5120      1.00000
     90      -6.4784      1.00000
     91      -6.4178      1.00000
     92      -5.9256      1.00000
     93      -5.9045      1.00000
     94      -5.7879      1.00000
     95      -5.7730      1.00000
     96      -5.3684      1.00000
     97      -5.3612      1.00000
     98      -5.2211      1.00000
     99      -5.2148      1.00000
    100      -5.1972      1.00000
    101      -4.7161      1.00000
    102      -4.4353      1.00000
    103      -4.1868      1.00000
    104      -3.8131      1.00000
    105      -3.5583      1.00000
    106      -3.2222      1.00000
    107      -2.5645      0.00000
    108      -1.4615      0.00000
    109      -1.2737      0.00000
    110      -1.1882      0.00000
    111      -1.1850      0.00000
    112      -0.6474      0.00000
    113      -0.5569      0.00000
    114      -0.4177      0.00000
    115      -0.3494      0.00000
    116      -0.0826      0.00000
    117      -0.0703      0.00000
    118       0.1222      0.00000
    119       0.5893      0.00000
    120       0.6239      0.00000
    121       0.8620      0.00000
    122       0.9947      0.00000
    123       1.0085      0.00000
    124       1.4978      0.00000
    125       1.6915      0.00000
    126       1.7913      0.00000
    127       1.8766      0.00000
    128       2.1056      0.00000
    129       2.1277      0.00000
    130       2.1817      0.00000
    131       2.2068      0.00000
    132       2.2458      0.00000
    133       2.3340      0.00000
    134       2.4885      0.00000
    135       2.5025      0.00000
    136       2.6765      0.00000
    137       2.8442      0.00000
    138       2.8547      0.00000
    139       2.9625      0.00000
    140       3.0020      0.00000
    141       3.0518      0.00000
    142       3.1459      0.00000
    143       3.1647      0.00000
    144       3.2498      0.00000
    145       3.2566      0.00000
    146       3.2813      0.00000
    147       3.3105      0.00000
    148       3.3618      0.00000
    149       3.4306      0.00000
    150       3.5638      0.00000
    151       3.5759      0.00000
    152       3.6541      0.00000
    153       3.6607      0.00000
    154       3.6762      0.00000
    155       3.7137      0.00000
    156       3.9068      0.00000
    157       3.9673      0.00000
    158       4.0493      0.00000
    159       4.0975      0.00000
    160       4.2026      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2779      1.00000
      2     -22.0733      1.00000
      3     -21.7141      1.00000
      4     -21.6759      1.00000
      5     -20.9776      1.00000
      6     -20.9306      1.00000
      7     -20.6065      1.00000
      8     -20.5753      1.00000
      9     -20.5615      1.00000
     10     -20.0289      1.00000
     11     -19.5077      1.00000
     12     -19.4783      1.00000
     13     -19.3061      1.00000
     14     -19.2933      1.00000
     15     -18.4472      1.00000
     16     -18.4047      1.00000
     17     -17.9238      1.00000
     18     -17.9039      1.00000
     19     -17.7644      1.00000
     20     -17.7201      1.00000
     21     -17.4384      1.00000
     22     -17.4204      1.00000
     23     -17.3390      1.00000
     24     -16.4660      1.00000
     25     -16.4560      1.00000
     26     -15.9687      1.00000
     27     -15.4058      1.00000
     28     -15.4049      1.00000
     29     -15.0912      1.00000
     30     -15.0880      1.00000
     31     -14.8531      1.00000
     32     -14.8413      1.00000
     33     -14.2982      1.00000
     34     -14.2548      1.00000
     35     -13.4453      1.00000
     36     -13.4017      1.00000
     37     -13.1725      1.00000
     38     -13.1712      1.00000
     39     -12.9827      1.00000
     40     -12.9739      1.00000
     41     -12.6089      1.00000
     42     -12.6067      1.00000
     43     -12.2000      1.00000
     44     -11.5724      1.00000
     45     -11.5319      1.00000
     46     -11.3068      1.00000
     47     -11.2771      1.00000
     48     -11.1459      1.00000
     49     -10.6886      1.00000
     50     -10.6608      1.00000
     51     -10.5422      1.00000
     52     -10.3237      1.00000
     53     -10.3165      1.00000
     54     -10.1706      1.00000
     55     -10.1188      1.00000
     56     -10.1062      1.00000
     57      -9.8075      1.00000
     58      -9.7532      1.00000
     59      -9.7522      1.00000
     60      -9.7044      1.00000
     61      -9.7001      1.00000
     62      -9.6423      1.00000
     63      -9.3538      1.00000
     64      -9.3528      1.00000
     65      -9.3104      1.00000
     66      -9.0249      1.00000
     67      -8.9631      1.00000
     68      -8.9578      1.00000
     69      -8.7720      1.00000
     70      -8.5850      1.00000
     71      -8.5835      1.00000
     72      -8.4199      1.00000
     73      -8.3470      1.00000
     74      -8.3212      1.00000
     75      -8.3044      1.00000
     76      -8.2655      1.00000
     77      -8.2528      1.00000
     78      -8.2344      1.00000
     79      -7.9226      1.00000
     80      -7.7342      1.00000
     81      -7.3836      1.00000
     82      -7.3535      1.00000
     83      -7.3120      1.00000
     84      -7.2231      1.00000
     85      -7.1565      1.00000
     86      -7.0652      1.00000
     87      -6.9573      1.00000
     88      -6.9046      1.00000
     89      -6.6092      1.00000
     90      -6.5637      1.00000
     91      -6.2672      1.00000
     92      -5.9951      1.00000
     93      -5.9589      1.00000
     94      -5.6731      1.00000
     95      -5.6465      1.00000
     96      -5.3864      1.00000
     97      -5.3150      1.00000
     98      -5.2936      1.00000
     99      -5.2112      1.00000
    100      -5.1995      1.00000
    101      -4.5037      1.00000
    102      -4.3313      1.00000
    103      -3.9946      1.00000
    104      -3.8844      1.00000
    105      -3.7879      1.00000
    106      -3.4376      1.00000
    107      -2.0350      0.00000
    108      -1.8665      0.00000
    109      -1.2178      0.00000
    110      -1.1906      0.00000
    111      -1.0370      0.00000
    112      -0.7741      0.00000
    113      -0.6828      0.00000
    114      -0.6611      0.00000
    115      -0.6144      0.00000
    116      -0.1066      0.00000
    117       0.2173      0.00000
    118       0.2348      0.00000
    119       0.7781      0.00000
    120       0.9902      0.00000
    121       1.0746      0.00000
    122       1.2394      0.00000
    123       1.2507      0.00000
    124       1.3463      0.00000
    125       1.5788      0.00000
    126       1.5816      0.00000
    127       1.7210      0.00000
    128       1.7933      0.00000
    129       1.9580      0.00000
    130       1.9869      0.00000
    131       2.0501      0.00000
    132       2.2629      0.00000
    133       2.3371      0.00000
    134       2.4313      0.00000
    135       2.5505      0.00000
    136       2.6332      0.00000
    137       2.7345      0.00000
    138       2.8006      0.00000
    139       2.8543      0.00000
    140       2.8708      0.00000
    141       3.0459      0.00000
    142       3.1104      0.00000
    143       3.1688      0.00000
    144       3.2301      0.00000
    145       3.3726      0.00000
    146       3.4201      0.00000
    147       3.5164      0.00000
    148       3.5602      0.00000
    149       3.5890      0.00000
    150       3.6111      0.00000
    151       3.6625      0.00000
    152       3.7391      0.00000
    153       3.7551      0.00000
    154       3.7636      0.00000
    155       3.7826      0.00000
    156       3.8787      0.00000
    157       4.0312      0.00000
    158       4.1006      0.00000
    159       4.1778      0.00000
    160       4.2253      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4208      1.00000
      2     -21.5978      1.00000
      3     -21.4768      1.00000
      4     -21.4678      1.00000
      5     -21.4351      1.00000
      6     -21.4347      1.00000
      7     -21.4244      1.00000
      8     -19.7025      1.00000
      9     -19.6490      1.00000
     10     -19.6249      1.00000
     11     -19.6152      1.00000
     12     -19.6082      1.00000
     13     -19.6080      1.00000
     14     -18.7847      1.00000
     15     -18.7519      1.00000
     16     -18.7302      1.00000
     17     -18.7213      1.00000
     18     -18.7163      1.00000
     19     -18.7093      1.00000
     20     -16.6320      1.00000
     21     -16.6096      1.00000
     22     -16.5848      1.00000
     23     -16.5784      1.00000
     24     -16.5533      1.00000
     25     -16.5495      1.00000
     26     -15.6121      1.00000
     27     -15.5979      1.00000
     28     -15.5952      1.00000
     29     -15.5601      1.00000
     30     -15.5599      1.00000
     31     -15.5594      1.00000
     32     -14.2589      1.00000
     33     -14.2486      1.00000
     34     -14.2373      1.00000
     35     -14.2313      1.00000
     36     -14.2202      1.00000
     37     -14.2189      1.00000
     38     -11.9057      1.00000
     39     -11.8793      1.00000
     40     -11.8674      1.00000
     41     -11.8644      1.00000
     42     -11.8452      1.00000
     43     -11.8441      1.00000
     44     -11.7709      1.00000
     45     -11.7650      1.00000
     46     -11.7346      1.00000
     47     -11.7265      1.00000
     48     -11.7216      1.00000
     49     -11.7181      1.00000
     50     -10.6696      1.00000
     51     -10.3862      1.00000
     52     -10.3809      1.00000
     53     -10.3737      1.00000
     54     -10.3683      1.00000
     55     -10.3531      1.00000
     56     -10.3518      1.00000
     57      -9.8983      1.00000
     58      -9.4454      1.00000
     59      -9.4019      1.00000
     60      -9.3582      1.00000
     61      -9.3575      1.00000
     62      -9.3499      1.00000
     63      -9.1452      1.00000
     64      -9.1229      1.00000
     65      -9.1153      1.00000
     66      -9.0829      1.00000
     67      -9.0747      1.00000
     68      -9.0739      1.00000
     69      -9.0726      1.00000
     70      -9.0651      1.00000
     71      -9.0573      1.00000
     72      -9.0358      1.00000
     73      -9.0303      1.00000
     74      -9.0267      1.00000
     75      -8.1342      1.00000
     76      -7.7314      1.00000
     77      -7.4699      1.00000
     78      -7.4676      1.00000
     79      -7.4524      1.00000
     80      -7.4329      1.00000
     81      -7.4281      1.00000
     82      -7.4068      1.00000
     83      -7.3094      1.00000
     84      -7.2684      1.00000
     85      -7.2544      1.00000
     86      -7.2467      1.00000
     87      -7.1544      1.00000
     88      -7.0438      1.00000
     89      -6.4449      1.00000
     90      -6.4126      1.00000
     91      -6.3979      1.00000
     92      -6.3633      1.00000
     93      -6.3518      1.00000
     94      -6.3391      1.00000
     95      -5.9655      1.00000
     96      -5.9550      1.00000
     97      -4.7970      1.00000
     98      -4.5409      1.00000
     99      -4.4819      1.00000
    100      -4.4705      1.00000
    101      -4.3831      1.00000
    102      -4.3812      1.00000
    103      -4.2658      1.00000
    104      -4.1846      1.00000
    105      -3.7345      1.00000
    106      -3.4705      1.00000
    107      -1.8605      0.00000
    108      -1.6762      0.00000
    109      -1.6264      0.00000
    110      -1.5927      0.00000
    111      -1.5798      0.00000
    112      -1.5779      0.00000
    113      -0.4297      0.00000
    114       0.1368      0.00000
    115       0.1906      0.00000
    116       0.2534      0.00000
    117       0.2609      0.00000
    118       0.2684      0.00000
    119       0.4715      0.00000
    120       0.5583      0.00000
    121       1.2549      0.00000
    122       1.2914      0.00000
    123       1.5437      0.00000
    124       1.7705      0.00000
    125       1.7819      0.00000
    126       1.7850      0.00000
    127       1.7859      0.00000
    128       1.8308      0.00000
    129       1.9533      0.00000
    130       1.9673      0.00000
    131       1.9677      0.00000
    132       1.9833      0.00000
    133       1.9899      0.00000
    134       2.0835      0.00000
    135       2.2662      0.00000
    136       2.3366      0.00000
    137       2.6357      0.00000
    138       2.6389      0.00000
    139       2.6683      0.00000
    140       2.7189      0.00000
    141       2.9420      0.00000
    142       3.0244      0.00000
    143       3.0377      0.00000
    144       3.0579      0.00000
    145       3.0591      0.00000
    146       3.0599      0.00000
    147       3.1030      0.00000
    148       3.2804      0.00000
    149       3.4493      0.00000
    150       3.5224      0.00000
    151       3.8144      0.00000
    152       3.9594      0.00000
    153       3.9605      0.00000
    154       3.9648      0.00000
    155       3.9661      0.00000
    156       4.0033      0.00000
    157       4.1933      0.00000
    158       4.2682      0.00000
    159       4.2829      0.00000
    160       4.2889      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3841      1.00000
      2     -21.8251      1.00000
      3     -21.6330      1.00000
      4     -21.6054      1.00000
      5     -21.2699      1.00000
      6     -21.2302      1.00000
      7     -21.0516      1.00000
      8     -20.1632      1.00000
      9     -20.1247      1.00000
     10     -19.6051      1.00000
     11     -19.5942      1.00000
     12     -19.4124      1.00000
     13     -19.0851      1.00000
     14     -19.0576      1.00000
     15     -19.0449      1.00000
     16     -19.0373      1.00000
     17     -18.3577      1.00000
     18     -18.3493      1.00000
     19     -18.0149      1.00000
     20     -17.0661      1.00000
     21     -17.0272      1.00000
     22     -16.9410      1.00000
     23     -16.9390      1.00000
     24     -16.4663      1.00000
     25     -16.4638      1.00000
     26     -15.6124      1.00000
     27     -15.6041      1.00000
     28     -15.2508      1.00000
     29     -15.2400      1.00000
     30     -15.1807      1.00000
     31     -15.0946      1.00000
     32     -15.0675      1.00000
     33     -14.6985      1.00000
     34     -14.6936      1.00000
     35     -13.7271      1.00000
     36     -13.7211      1.00000
     37     -13.2323      1.00000
     38     -12.6130      1.00000
     39     -12.5829      1.00000
     40     -12.4515      1.00000
     41     -12.4453      1.00000
     42     -12.1095      1.00000
     43     -12.1038      1.00000
     44     -11.7171      1.00000
     45     -11.6865      1.00000
     46     -11.2368      1.00000
     47     -11.2252      1.00000
     48     -11.0160      1.00000
     49     -11.0050      1.00000
     50     -10.9254      1.00000
     51     -10.9043      1.00000
     52     -10.6241      1.00000
     53     -10.1527      1.00000
     54     -10.1482      1.00000
     55     -10.0892      1.00000
     56      -9.9935      1.00000
     57      -9.7022      1.00000
     58      -9.6906      1.00000
     59      -9.6529      1.00000
     60      -9.5888      1.00000
     61      -9.5803      1.00000
     62      -9.5565      1.00000
     63      -9.3072      1.00000
     64      -9.2981      1.00000
     65      -9.2716      1.00000
     66      -9.2380      1.00000
     67      -9.1324      1.00000
     68      -9.1139      1.00000
     69      -9.1077      1.00000
     70      -8.9358      1.00000
     71      -8.8745      1.00000
     72      -8.6073      1.00000
     73      -8.5921      1.00000
     74      -8.2367      1.00000
     75      -8.0990      1.00000
     76      -7.9067      1.00000
     77      -7.8666      1.00000
     78      -7.7711      1.00000
     79      -7.7555      1.00000
     80      -7.6929      1.00000
     81      -7.5519      1.00000
     82      -7.3385      1.00000
     83      -7.3216      1.00000
     84      -7.2035      1.00000
     85      -7.1198      1.00000
     86      -7.0302      1.00000
     87      -7.0163      1.00000
     88      -6.7022      1.00000
     89      -6.6774      1.00000
     90      -6.6390      1.00000
     91      -6.5960      1.00000
     92      -6.1153      1.00000
     93      -6.0621      1.00000
     94      -6.0331      1.00000
     95      -6.0113      1.00000
     96      -5.7812      1.00000
     97      -4.9683      1.00000
     98      -4.8315      1.00000
     99      -4.7458      1.00000
    100      -4.6779      1.00000
    101      -4.4624      1.00000
    102      -4.1994      1.00000
    103      -4.1714      1.00000
    104      -4.1276      1.00000
    105      -3.7252      1.00000
    106      -3.4805      1.00000
    107      -1.8709      0.00000
    108      -1.8133      0.00000
    109      -1.5247      0.00000
    110      -1.3821      0.00000
    111      -1.3243      0.00000
    112      -1.2906      0.00000
    113      -0.7207      0.00000
    114      -0.3782      0.00000
    115      -0.2565      0.00000
    116       0.0323      0.00000
    117       0.5611      0.00000
    118       0.6941      0.00000
    119       0.7439      0.00000
    120       1.0454      0.00000
    121       1.0951      0.00000
    122       1.1514      0.00000
    123       1.2256      0.00000
    124       1.3848      0.00000
    125       1.5286      0.00000
    126       1.5975      0.00000
    127       1.7208      0.00000
    128       1.7976      0.00000
    129       1.8516      0.00000
    130       1.8785      0.00000
    131       2.0961      0.00000
    132       2.2010      0.00000
    133       2.2462      0.00000
    134       2.3201      0.00000
    135       2.5241      0.00000
    136       2.6060      0.00000
    137       2.6145      0.00000
    138       2.7806      0.00000
    139       2.7902      0.00000
    140       2.8189      0.00000
    141       2.8275      0.00000
    142       2.9037      0.00000
    143       2.9347      0.00000
    144       3.1035      0.00000
    145       3.1672      0.00000
    146       3.3220      0.00000
    147       3.3504      0.00000
    148       3.4030      0.00000
    149       3.4707      0.00000
    150       3.6052      0.00000
    151       3.6428      0.00000
    152       3.6623      0.00000
    153       3.7123      0.00000
    154       3.9237      0.00000
    155       3.9673      0.00000
    156       4.0249      0.00000
    157       4.0733      0.00000
    158       4.2434      0.00000
    159       4.2575      0.00000
    160       4.2853      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2782      1.00000
      2     -22.0724      1.00000
      3     -21.7115      1.00000
      4     -21.6797      1.00000
      5     -20.9746      1.00000
      6     -20.9339      1.00000
      7     -20.6070      1.00000
      8     -20.5704      1.00000
      9     -20.5640      1.00000
     10     -20.0277      1.00000
     11     -19.5000      1.00000
     12     -19.4885      1.00000
     13     -19.3034      1.00000
     14     -19.2981      1.00000
     15     -18.4438      1.00000
     16     -18.4068      1.00000
     17     -17.9191      1.00000
     18     -17.9106      1.00000
     19     -17.7581      1.00000
     20     -17.7220      1.00000
     21     -17.4330      1.00000
     22     -17.4266      1.00000
     23     -17.3373      1.00000
     24     -16.4619      1.00000
     25     -16.4615      1.00000
     26     -15.9622      1.00000
     27     -15.4134      1.00000
     28     -15.4058      1.00000
     29     -15.0963      1.00000
     30     -15.0901      1.00000
     31     -14.8534      1.00000
     32     -14.8452      1.00000
     33     -14.2876      1.00000
     34     -14.2546      1.00000
     35     -13.4346      1.00000
     36     -13.4020      1.00000
     37     -13.1780      1.00000
     38     -13.1717      1.00000
     39     -12.9774      1.00000
     40     -12.9718      1.00000
     41     -12.6136      1.00000
     42     -12.6079      1.00000
     43     -12.1947      1.00000
     44     -11.5763      1.00000
     45     -11.5428      1.00000
     46     -11.3096      1.00000
     47     -11.2875      1.00000
     48     -11.1392      1.00000
     49     -10.6771      1.00000
     50     -10.6601      1.00000
     51     -10.5475      1.00000
     52     -10.3206      1.00000
     53     -10.3143      1.00000
     54     -10.1667      1.00000
     55     -10.1164      1.00000
     56     -10.1126      1.00000
     57      -9.7945      1.00000
     58      -9.7579      1.00000
     59      -9.7524      1.00000
     60      -9.7015      1.00000
     61      -9.6910      1.00000
     62      -9.6576      1.00000
     63      -9.3538      1.00000
     64      -9.3475      1.00000
     65      -9.3178      1.00000
     66      -9.0373      1.00000
     67      -8.9574      1.00000
     68      -8.9505      1.00000
     69      -8.7952      1.00000
     70      -8.5959      1.00000
     71      -8.5565      1.00000
     72      -8.3943      1.00000
     73      -8.3611      1.00000
     74      -8.3254      1.00000
     75      -8.3059      1.00000
     76      -8.2613      1.00000
     77      -8.2570      1.00000
     78      -8.2388      1.00000
     79      -7.9054      1.00000
     80      -7.6495      1.00000
     81      -7.5410      1.00000
     82      -7.3853      1.00000
     83      -7.3482      1.00000
     84      -7.2297      1.00000
     85      -7.0965      1.00000
     86      -7.0362      1.00000
     87      -6.9328      1.00000
     88      -6.8454      1.00000
     89      -6.6166      1.00000
     90      -6.5580      1.00000
     91      -6.2740      1.00000
     92      -6.0412      1.00000
     93      -5.9496      1.00000
     94      -5.6603      1.00000
     95      -5.6227      1.00000
     96      -5.4599      1.00000
     97      -5.3173      1.00000
     98      -5.2781      1.00000
     99      -5.2119      1.00000
    100      -5.1944      1.00000
    101      -4.4999      1.00000
    102      -4.2029      1.00000
    103      -4.0562      1.00000
    104      -3.9897      1.00000
    105      -3.6912      1.00000
    106      -3.4907      1.00000
    107      -1.9477      0.00000
    108      -1.9001      0.00000
    109      -1.3370      0.00000
    110      -1.0874      0.00000
    111      -1.0632      0.00000
    112      -0.8028      0.00000
    113      -0.6839      0.00000
    114      -0.6490      0.00000
    115      -0.6104      0.00000
    116      -0.1121      0.00000
    117       0.2115      0.00000
    118       0.3242      0.00000
    119       0.7027      0.00000
    120       0.8913      0.00000
    121       1.1225      0.00000
    122       1.1955      0.00000
    123       1.3319      0.00000
    124       1.4289      0.00000
    125       1.5527      0.00000
    126       1.5736      0.00000
    127       1.6956      0.00000
    128       1.8091      0.00000
    129       1.8868      0.00000
    130       2.0583      0.00000
    131       2.1055      0.00000
    132       2.3020      0.00000
    133       2.3501      0.00000
    134       2.4145      0.00000
    135       2.5619      0.00000
    136       2.6374      0.00000
    137       2.7232      0.00000
    138       2.7404      0.00000
    139       2.7968      0.00000
    140       2.8868      0.00000
    141       3.0529      0.00000
    142       3.0643      0.00000
    143       3.1791      0.00000
    144       3.2735      0.00000
    145       3.3679      0.00000
    146       3.4236      0.00000
    147       3.4459      0.00000
    148       3.5623      0.00000
    149       3.5802      0.00000
    150       3.6052      0.00000
    151       3.6574      0.00000
    152       3.6827      0.00000
    153       3.7705      0.00000
    154       3.7790      0.00000
    155       3.8112      0.00000
    156       3.8957      0.00000
    157       3.9349      0.00000
    158       4.0023      0.00000
    159       4.2231      0.00000
    160       4.2323      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3121      1.00000
      2     -21.9575      1.00000
      3     -21.8883      1.00000
      4     -21.3761      1.00000
      5     -21.3473      1.00000
      6     -20.8344      1.00000
      7     -20.7690      1.00000
      8     -20.6187      1.00000
      9     -20.0741      1.00000
     10     -20.0687      1.00000
     11     -19.7120      1.00000
     12     -19.6879      1.00000
     13     -18.9931      1.00000
     14     -18.9875      1.00000
     15     -18.6385      1.00000
     16     -18.6232      1.00000
     17     -18.4568      1.00000
     18     -17.6707      1.00000
     19     -17.6210      1.00000
     20     -17.6176      1.00000
     21     -17.5752      1.00000
     22     -17.1250      1.00000
     23     -17.1037      1.00000
     24     -16.9632      1.00000
     25     -16.0030      1.00000
     26     -15.9271      1.00000
     27     -15.5816      1.00000
     28     -15.5814      1.00000
     29     -15.2849      1.00000
     30     -14.8616      1.00000
     31     -14.8349      1.00000
     32     -14.5754      1.00000
     33     -14.5330      1.00000
     34     -14.1702      1.00000
     35     -14.1559      1.00000
     36     -13.1482      1.00000
     37     -13.0947      1.00000
     38     -13.0250      1.00000
     39     -13.0159      1.00000
     40     -12.7054      1.00000
     41     -12.7015      1.00000
     42     -12.3406      1.00000
     43     -12.3085      1.00000
     44     -11.6385      1.00000
     45     -11.6256      1.00000
     46     -11.5710      1.00000
     47     -10.9502      1.00000
     48     -10.9168      1.00000
     49     -10.6275      1.00000
     50     -10.6222      1.00000
     51     -10.5440      1.00000
     52     -10.5007      1.00000
     53     -10.4998      1.00000
     54     -10.4387      1.00000
     55     -10.3531      1.00000
     56     -10.0943      1.00000
     57      -9.8990      1.00000
     58      -9.6018      1.00000
     59      -9.5486      1.00000
     60      -9.4518      1.00000
     61      -9.4141      1.00000
     62      -9.4033      1.00000
     63      -9.3727      1.00000
     64      -9.3716      1.00000
     65      -9.2836      1.00000
     66      -9.1722      1.00000
     67      -9.1478      1.00000
     68      -9.1162      1.00000
     69      -8.8666      1.00000
     70      -8.8601      1.00000
     71      -8.8125      1.00000
     72      -8.5928      1.00000
     73      -8.4766      1.00000
     74      -8.2013      1.00000
     75      -8.1660      1.00000
     76      -8.0102      1.00000
     77      -7.9563      1.00000
     78      -7.8462      1.00000
     79      -7.8360      1.00000
     80      -7.7053      1.00000
     81      -7.6952      1.00000
     82      -7.6227      1.00000
     83      -7.4427      1.00000
     84      -7.3029      1.00000
     85      -7.2455      1.00000
     86      -6.9085      1.00000
     87      -6.8959      1.00000
     88      -6.5878      1.00000
     89      -6.5491      1.00000
     90      -6.4034      1.00000
     91      -6.2539      1.00000
     92      -6.2321      1.00000
     93      -6.2112      1.00000
     94      -6.0200      1.00000
     95      -5.5474      1.00000
     96      -5.4865      1.00000
     97      -5.3468      1.00000
     98      -5.2177      1.00000
     99      -4.9804      1.00000
    100      -4.7286      1.00000
    101      -4.6766      1.00000
    102      -4.3836      1.00000
    103      -4.1982      1.00000
    104      -3.8651      1.00000
    105      -3.5471      1.00000
    106      -3.5020      1.00000
    107      -2.2595      0.00000
    108      -1.4551      0.00000
    109      -1.3768      0.00000
    110      -1.2454      0.00000
    111      -1.0984      0.00000
    112      -0.9464      0.00000
    113      -0.8658      0.00000
    114      -0.8064      0.00000
    115      -0.1439      0.00000
    116       0.1023      0.00000
    117       0.2346      0.00000
    118       0.3726      0.00000
    119       0.6615      0.00000
    120       0.8332      0.00000
    121       0.9330      0.00000
    122       1.0668      0.00000
    123       1.2438      0.00000
    124       1.4475      0.00000
    125       1.5715      0.00000
    126       1.7630      0.00000
    127       1.7891      0.00000
    128       1.8637      0.00000
    129       1.9897      0.00000
    130       2.0385      0.00000
    131       2.1837      0.00000
    132       2.1920      0.00000
    133       2.4197      0.00000
    134       2.4268      0.00000
    135       2.5051      0.00000
    136       2.5967      0.00000
    137       2.6281      0.00000
    138       2.7079      0.00000
    139       2.7836      0.00000
    140       2.8511      0.00000
    141       2.9665      0.00000
    142       3.0893      0.00000
    143       3.1774      0.00000
    144       3.2102      0.00000
    145       3.2389      0.00000
    146       3.3261      0.00000
    147       3.3343      0.00000
    148       3.4766      0.00000
    149       3.5175      0.00000
    150       3.6946      0.00000
    151       3.7253      0.00000
    152       3.7314      0.00000
    153       3.8657      0.00000
    154       3.9069      0.00000
    155       3.9531      0.00000
    156       3.9765      0.00000
    157       3.9878      0.00000
    158       4.0397      0.00000
    159       4.0556      0.00000
    160       4.0612      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2054      1.00000
      2     -22.1119      1.00000
      3     -21.9515      1.00000
      4     -21.3996      1.00000
      5     -21.0446      1.00000
      6     -21.0093      1.00000
      7     -20.4959      1.00000
      8     -20.4571      1.00000
      9     -20.2897      1.00000
     10     -20.2709      1.00000
     11     -19.9542      1.00000
     12     -19.8878      1.00000
     13     -18.8800      1.00000
     14     -18.8106      1.00000
     15     -18.3485      1.00000
     16     -18.3032      1.00000
     17     -18.1497      1.00000
     18     -18.1330      1.00000
     19     -17.8227      1.00000
     20     -17.7861      1.00000
     21     -17.2489      1.00000
     22     -17.2419      1.00000
     23     -17.1616      1.00000
     24     -17.1316      1.00000
     25     -16.1051      1.00000
     26     -15.8831      1.00000
     27     -15.8672      1.00000
     28     -15.8341      1.00000
     29     -15.2346      1.00000
     30     -14.5543      1.00000
     31     -14.5263      1.00000
     32     -14.2790      1.00000
     33     -13.9617      1.00000
     34     -13.9527      1.00000
     35     -13.8194      1.00000
     36     -13.8030      1.00000
     37     -13.6132      1.00000
     38     -13.5700      1.00000
     39     -13.3648      1.00000
     40     -12.6303      1.00000
     41     -12.1807      1.00000
     42     -12.1329      1.00000
     43     -12.0710      1.00000
     44     -12.0175      1.00000
     45     -11.6667      1.00000
     46     -11.6536      1.00000
     47     -11.1402      1.00000
     48     -11.1193      1.00000
     49     -10.7963      1.00000
     50     -10.7313      1.00000
     51     -10.5218      1.00000
     52     -10.2071      1.00000
     53     -10.2017      1.00000
     54     -10.1600      1.00000
     55     -10.0157      1.00000
     56      -9.9999      1.00000
     57      -9.9875      1.00000
     58      -9.8027      1.00000
     59      -9.7916      1.00000
     60      -9.7647      1.00000
     61      -9.7573      1.00000
     62      -9.4566      1.00000
     63      -9.4132      1.00000
     64      -9.0779      1.00000
     65      -9.0692      1.00000
     66      -9.0398      1.00000
     67      -8.9565      1.00000
     68      -8.8736      1.00000
     69      -8.7112      1.00000
     70      -8.6968      1.00000
     71      -8.5677      1.00000
     72      -8.5458      1.00000
     73      -8.4974      1.00000
     74      -8.4597      1.00000
     75      -8.4555      1.00000
     76      -8.2566      1.00000
     77      -8.1221      1.00000
     78      -8.0395      1.00000
     79      -7.9146      1.00000
     80      -7.8600      1.00000
     81      -7.6150      1.00000
     82      -7.5484      1.00000
     83      -7.4943      1.00000
     84      -7.2598      1.00000
     85      -6.9940      1.00000
     86      -6.9236      1.00000
     87      -6.8815      1.00000
     88      -6.5360      1.00000
     89      -6.4898      1.00000
     90      -6.4607      1.00000
     91      -6.4091      1.00000
     92      -5.9810      1.00000
     93      -5.8956      1.00000
     94      -5.7821      1.00000
     95      -5.7595      1.00000
     96      -5.4286      1.00000
     97      -5.3278      1.00000
     98      -5.2289      1.00000
     99      -5.2158      1.00000
    100      -5.1892      1.00000
    101      -4.6894      1.00000
    102      -4.4163      1.00000
    103      -4.2045      1.00000
    104      -3.8270      1.00000
    105      -3.5213      1.00000
    106      -3.2758      1.00000
    107      -2.5334      0.00000
    108      -1.4562      0.00000
    109      -1.2710      0.00000
    110      -1.2057      0.00000
    111      -1.1760      0.00000
    112      -0.7220      0.00000
    113      -0.5072      0.00000
    114      -0.4162      0.00000
    115      -0.3443      0.00000
    116      -0.1496      0.00000
    117      -0.0060      0.00000
    118       0.1891      0.00000
    119       0.5553      0.00000
    120       0.6086      0.00000
    121       0.8049      0.00000
    122       0.9125      0.00000
    123       1.1403      0.00000
    124       1.5050      0.00000
    125       1.6408      0.00000
    126       1.8719      0.00000
    127       1.9395      0.00000
    128       2.1107      0.00000
    129       2.1179      0.00000
    130       2.1293      0.00000
    131       2.1689      0.00000
    132       2.2742      0.00000
    133       2.3154      0.00000
    134       2.4541      0.00000
    135       2.5776      0.00000
    136       2.6660      0.00000
    137       2.8594      0.00000
    138       2.8686      0.00000
    139       2.9038      0.00000
    140       3.0190      0.00000
    141       3.0328      0.00000
    142       3.1514      0.00000
    143       3.1524      0.00000
    144       3.2314      0.00000
    145       3.2767      0.00000
    146       3.2845      0.00000
    147       3.3080      0.00000
    148       3.3526      0.00000
    149       3.4364      0.00000
    150       3.4588      0.00000
    151       3.5630      0.00000
    152       3.6241      0.00000
    153       3.6766      0.00000
    154       3.7150      0.00000
    155       3.7869      0.00000
    156       3.9033      0.00000
    157       3.9416      0.00000
    158       4.0132      0.00000
    159       4.1530      0.00000
    160       4.2395      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3120      1.00000
      2     -21.9592      1.00000
      3     -21.8867      1.00000
      4     -21.3791      1.00000
      5     -21.3433      1.00000
      6     -20.8352      1.00000
      7     -20.7684      1.00000
      8     -20.6208      1.00000
      9     -20.0846      1.00000
     10     -20.0564      1.00000
     11     -19.7142      1.00000
     12     -19.6859      1.00000
     13     -19.0057      1.00000
     14     -18.9751      1.00000
     15     -18.6449      1.00000
     16     -18.6131      1.00000
     17     -18.4583      1.00000
     18     -17.6582      1.00000
     19     -17.6461      1.00000
     20     -17.6087      1.00000
     21     -17.5758      1.00000
     22     -17.1341      1.00000
     23     -17.0950      1.00000
     24     -16.9625      1.00000
     25     -16.0057      1.00000
     26     -15.9183      1.00000
     27     -15.5964      1.00000
     28     -15.5726      1.00000
     29     -15.2780      1.00000
     30     -14.8742      1.00000
     31     -14.8275      1.00000
     32     -14.5750      1.00000
     33     -14.5361      1.00000
     34     -14.1607      1.00000
     35     -14.1558      1.00000
     36     -13.1614      1.00000
     37     -13.0943      1.00000
     38     -13.0234      1.00000
     39     -13.0180      1.00000
     40     -12.7180      1.00000
     41     -12.6946      1.00000
     42     -12.3376      1.00000
     43     -12.3086      1.00000
     44     -11.6289      1.00000
     45     -11.6202      1.00000
     46     -11.5667      1.00000
     47     -10.9391      1.00000
     48     -10.9188      1.00000
     49     -10.6652      1.00000
     50     -10.5920      1.00000
     51     -10.5704      1.00000
     52     -10.4960      1.00000
     53     -10.4869      1.00000
     54     -10.4402      1.00000
     55     -10.3578      1.00000
     56     -10.0986      1.00000
     57      -9.8932      1.00000
     58      -9.6114      1.00000
     59      -9.5526      1.00000
     60      -9.4505      1.00000
     61      -9.4131      1.00000
     62      -9.4087      1.00000
     63      -9.3817      1.00000
     64      -9.3732      1.00000
     65      -9.2633      1.00000
     66      -9.1635      1.00000
     67      -9.1398      1.00000
     68      -9.1139      1.00000
     69      -8.8658      1.00000
     70      -8.8550      1.00000
     71      -8.7994      1.00000
     72      -8.5928      1.00000
     73      -8.5227      1.00000
     74      -8.1926      1.00000
     75      -8.1682      1.00000
     76      -8.0758      1.00000
     77      -7.8603      1.00000
     78      -7.8386      1.00000
     79      -7.8201      1.00000
     80      -7.7126      1.00000
     81      -7.6973      1.00000
     82      -7.5983      1.00000
     83      -7.5228      1.00000
     84      -7.3491      1.00000
     85      -7.1635      1.00000
     86      -6.9061      1.00000
     87      -6.8951      1.00000
     88      -6.5905      1.00000
     89      -6.5502      1.00000
     90      -6.4101      1.00000
     91      -6.2995      1.00000
     92      -6.2455      1.00000
     93      -6.2004      1.00000
     94      -6.0027      1.00000
     95      -5.5292      1.00000
     96      -5.4661      1.00000
     97      -5.3127      1.00000
     98      -5.2095      1.00000
     99      -5.0436      1.00000
    100      -4.7199      1.00000
    101      -4.6706      1.00000
    102      -4.4182      1.00000
    103      -4.1905      1.00000
    104      -3.8362      1.00000
    105      -3.6309      1.00000
    106      -3.4131      1.00000
    107      -2.2941      0.00000
    108      -1.5085      0.00000
    109      -1.2731      0.00000
    110      -1.2663      0.00000
    111      -1.0357      0.00000
    112      -0.9841      0.00000
    113      -0.8714      0.00000
    114      -0.8039      0.00000
    115      -0.2640      0.00000
    116       0.2016      0.00000
    117       0.2357      0.00000
    118       0.3559      0.00000
    119       0.6971      0.00000
    120       0.8885      0.00000
    121       0.9203      0.00000
    122       1.0463      0.00000
    123       1.1713      0.00000
    124       1.5145      0.00000
    125       1.5787      0.00000
    126       1.7111      0.00000
    127       1.7750      0.00000
    128       1.8265      0.00000
    129       1.9537      0.00000
    130       2.0061      0.00000
    131       2.1704      0.00000
    132       2.2801      0.00000
    133       2.4226      0.00000
    134       2.4335      0.00000
    135       2.5001      0.00000
    136       2.5978      0.00000
    137       2.6141      0.00000
    138       2.7117      0.00000
    139       2.7607      0.00000
    140       2.8770      0.00000
    141       3.0471      0.00000
    142       3.0887      0.00000
    143       3.1803      0.00000
    144       3.2288      0.00000
    145       3.2411      0.00000
    146       3.3016      0.00000
    147       3.3584      0.00000
    148       3.4631      0.00000
    149       3.5376      0.00000
    150       3.6984      0.00000
    151       3.7146      0.00000
    152       3.7613      0.00000
    153       3.8342      0.00000
    154       3.8857      0.00000
    155       3.9414      0.00000
    156       3.9828      0.00000
    157       3.9964      0.00000
    158       4.0240      0.00000
    159       4.0399      0.00000
    160       4.1062      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3841      1.00000
      2     -21.8258      1.00000
      3     -21.6354      1.00000
      4     -21.6014      1.00000
      5     -21.2735      1.00000
      6     -21.2270      1.00000
      7     -21.0520      1.00000
      8     -20.1672      1.00000
      9     -20.1217      1.00000
     10     -19.6112      1.00000
     11     -19.5856      1.00000
     12     -19.4130      1.00000
     13     -19.0907      1.00000
     14     -19.0517      1.00000
     15     -19.0476      1.00000
     16     -19.0356      1.00000
     17     -18.3625      1.00000
     18     -18.3432      1.00000
     19     -18.0160      1.00000
     20     -17.0717      1.00000
     21     -17.0240      1.00000
     22     -16.9472      1.00000
     23     -16.9335      1.00000
     24     -16.4704      1.00000
     25     -16.4588      1.00000
     26     -15.6044      1.00000
     27     -15.6038      1.00000
     28     -15.2483      1.00000
     29     -15.2363      1.00000
     30     -15.1914      1.00000
     31     -15.1007      1.00000
     32     -15.0680      1.00000
     33     -14.6940      1.00000
     34     -14.6930      1.00000
     35     -13.7217      1.00000
     36     -13.7217      1.00000
     37     -13.2375      1.00000
     38     -12.6253      1.00000
     39     -12.5813      1.00000
     40     -12.4534      1.00000
     41     -12.4482      1.00000
     42     -12.1040      1.00000
     43     -12.0990      1.00000
     44     -11.7142      1.00000
     45     -11.6761      1.00000
     46     -11.2441      1.00000
     47     -11.2233      1.00000
     48     -11.0184      1.00000
     49     -11.0070      1.00000
     50     -10.9226      1.00000
     51     -10.8942      1.00000
     52     -10.6303      1.00000
     53     -10.1722      1.00000
     54     -10.1495      1.00000
     55     -10.0898      1.00000
     56      -9.9865      1.00000
     57      -9.6958      1.00000
     58      -9.6884      1.00000
     59      -9.6666      1.00000
     60      -9.5894      1.00000
     61      -9.5661      1.00000
     62      -9.5491      1.00000
     63      -9.3138      1.00000
     64      -9.3030      1.00000
     65      -9.2796      1.00000
     66      -9.2356      1.00000
     67      -9.1196      1.00000
     68      -9.1142      1.00000
     69      -9.1119      1.00000
     70      -8.9359      1.00000
     71      -8.8681      1.00000
     72      -8.6025      1.00000
     73      -8.5848      1.00000
     74      -8.2699      1.00000
     75      -8.1073      1.00000
     76      -7.8623      1.00000
     77      -7.8412      1.00000
     78      -7.7888      1.00000
     79      -7.7681      1.00000
     80      -7.7586      1.00000
     81      -7.4372      1.00000
     82      -7.3382      1.00000
     83      -7.3263      1.00000
     84      -7.2623      1.00000
     85      -7.1631      1.00000
     86      -7.0103      1.00000
     87      -6.9848      1.00000
     88      -6.7145      1.00000
     89      -6.6898      1.00000
     90      -6.6305      1.00000
     91      -6.5886      1.00000
     92      -6.1242      1.00000
     93      -6.0554      1.00000
     94      -6.0434      1.00000
     95      -6.0262      1.00000
     96      -5.7483      1.00000
     97      -4.9690      1.00000
     98      -4.8375      1.00000
     99      -4.7093      1.00000
    100      -4.6743      1.00000
    101      -4.4784      1.00000
    102      -4.3454      1.00000
    103      -4.1108      1.00000
    104      -4.0542      1.00000
    105      -3.7501      1.00000
    106      -3.4589      1.00000
    107      -1.9504      0.00000
    108      -1.7738      0.00000
    109      -1.4822      0.00000
    110      -1.3569      0.00000
    111      -1.3408      0.00000
    112      -1.2966      0.00000
    113      -0.6845      0.00000
    114      -0.4734      0.00000
    115      -0.2369      0.00000
    116       0.0476      0.00000
    117       0.5957      0.00000
    118       0.6902      0.00000
    119       0.7657      0.00000
    120       1.0154      0.00000
    121       1.0920      0.00000
    122       1.1727      0.00000
    123       1.2512      0.00000
    124       1.3393      0.00000
    125       1.4479      0.00000
    126       1.6112      0.00000
    127       1.7500      0.00000
    128       1.8441      0.00000
    129       1.8518      0.00000
    130       1.8908      0.00000
    131       2.0359      0.00000
    132       2.2250      0.00000
    133       2.2503      0.00000
    134       2.3065      0.00000
    135       2.4850      0.00000
    136       2.6018      0.00000
    137       2.6364      0.00000
    138       2.7734      0.00000
    139       2.7908      0.00000
    140       2.8306      0.00000
    141       2.8399      0.00000
    142       2.8455      0.00000
    143       2.9269      0.00000
    144       3.1108      0.00000
    145       3.3200      0.00000
    146       3.3466      0.00000
    147       3.3769      0.00000
    148       3.4068      0.00000
    149       3.4277      0.00000
    150       3.5900      0.00000
    151       3.6347      0.00000
    152       3.6833      0.00000
    153       3.7358      0.00000
    154       3.9007      0.00000
    155       3.9380      0.00000
    156       3.9557      0.00000
    157       4.1145      0.00000
    158       4.2107      0.00000
    159       4.2614      0.00000
    160       4.2882      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2045      1.00000
      2     -22.1135      1.00000
      3     -21.9509      1.00000
      4     -21.3990      1.00000
      5     -21.0412      1.00000
      6     -21.0133      1.00000
      7     -20.4912      1.00000
      8     -20.4618      1.00000
      9     -20.2824      1.00000
     10     -20.2806      1.00000
     11     -19.9515      1.00000
     12     -19.8881      1.00000
     13     -18.8782      1.00000
     14     -18.8104      1.00000
     15     -18.3358      1.00000
     16     -18.3171      1.00000
     17     -18.1457      1.00000
     18     -18.1381      1.00000
     19     -17.8139      1.00000
     20     -17.7962      1.00000
     21     -17.2548      1.00000
     22     -17.2355      1.00000
     23     -17.1617      1.00000
     24     -17.1304      1.00000
     25     -16.1139      1.00000
     26     -15.8752      1.00000
     27     -15.8643      1.00000
     28     -15.8364      1.00000
     29     -15.2318      1.00000
     30     -14.5459      1.00000
     31     -14.5279      1.00000
     32     -14.2761      1.00000
     33     -13.9763      1.00000
     34     -13.9520      1.00000
     35     -13.8252      1.00000
     36     -13.8022      1.00000
     37     -13.6016      1.00000
     38     -13.5769      1.00000
     39     -13.3660      1.00000
     40     -12.6363      1.00000
     41     -12.1664      1.00000
     42     -12.1403      1.00000
     43     -12.0628      1.00000
     44     -12.0152      1.00000
     45     -11.6684      1.00000
     46     -11.6639      1.00000
     47     -11.1332      1.00000
     48     -11.1227      1.00000
     49     -10.7837      1.00000
     50     -10.7269      1.00000
     51     -10.5289      1.00000
     52     -10.2104      1.00000
     53     -10.2043      1.00000
     54     -10.1659      1.00000
     55     -10.0220      1.00000
     56      -9.9908      1.00000
     57      -9.9904      1.00000
     58      -9.8073      1.00000
     59      -9.7981      1.00000
     60      -9.7650      1.00000
     61      -9.7567      1.00000
     62      -9.4467      1.00000
     63      -9.4123      1.00000
     64      -9.0851      1.00000
     65      -9.0474      1.00000
     66      -9.0232      1.00000
     67      -8.9671      1.00000
     68      -8.8942      1.00000
     69      -8.7109      1.00000
     70      -8.7020      1.00000
     71      -8.5536      1.00000
     72      -8.5433      1.00000
     73      -8.4764      1.00000
     74      -8.4598      1.00000
     75      -8.4560      1.00000
     76      -8.3029      1.00000
     77      -8.0912      1.00000
     78      -8.0878      1.00000
     79      -7.9294      1.00000
     80      -7.8316      1.00000
     81      -7.5968      1.00000
     82      -7.5344      1.00000
     83      -7.4496      1.00000
     84      -7.3010      1.00000
     85      -6.9992      1.00000
     86      -6.9257      1.00000
     87      -6.8868      1.00000
     88      -6.5250      1.00000
     89      -6.5120      1.00000
     90      -6.4784      1.00000
     91      -6.4178      1.00000
     92      -5.9256      1.00000
     93      -5.9045      1.00000
     94      -5.7879      1.00000
     95      -5.7730      1.00000
     96      -5.3684      1.00000
     97      -5.3612      1.00000
     98      -5.2211      1.00000
     99      -5.2148      1.00000
    100      -5.1972      1.00000
    101      -4.7161      1.00000
    102      -4.4353      1.00000
    103      -4.1868      1.00000
    104      -3.8131      1.00000
    105      -3.5583      1.00000
    106      -3.2222      1.00000
    107      -2.5645      0.00000
    108      -1.4615      0.00000
    109      -1.2737      0.00000
    110      -1.1882      0.00000
    111      -1.1850      0.00000
    112      -0.6474      0.00000
    113      -0.5569      0.00000
    114      -0.4177      0.00000
    115      -0.3494      0.00000
    116      -0.0826      0.00000
    117      -0.0703      0.00000
    118       0.1222      0.00000
    119       0.5893      0.00000
    120       0.6239      0.00000
    121       0.8620      0.00000
    122       0.9947      0.00000
    123       1.0085      0.00000
    124       1.4978      0.00000
    125       1.6915      0.00000
    126       1.7913      0.00000
    127       1.8766      0.00000
    128       2.1056      0.00000
    129       2.1277      0.00000
    130       2.1817      0.00000
    131       2.2068      0.00000
    132       2.2458      0.00000
    133       2.3340      0.00000
    134       2.4885      0.00000
    135       2.5025      0.00000
    136       2.6765      0.00000
    137       2.8442      0.00000
    138       2.8547      0.00000
    139       2.9626      0.00000
    140       3.0020      0.00000
    141       3.0518      0.00000
    142       3.1459      0.00000
    143       3.1647      0.00000
    144       3.2498      0.00000
    145       3.2566      0.00000
    146       3.2813      0.00000
    147       3.3105      0.00000
    148       3.3618      0.00000
    149       3.4306      0.00000
    150       3.5638      0.00000
    151       3.5759      0.00000
    152       3.6541      0.00000
    153       3.6607      0.00000
    154       3.6762      0.00000
    155       3.7137      0.00000
    156       3.9068      0.00000
    157       3.9674      0.00000
    158       4.0493      0.00000
    159       4.0975      0.00000
    160       4.2026      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2779      1.00000
      2     -22.0733      1.00000
      3     -21.7141      1.00000
      4     -21.6759      1.00000
      5     -20.9776      1.00000
      6     -20.9306      1.00000
      7     -20.6065      1.00000
      8     -20.5753      1.00000
      9     -20.5615      1.00000
     10     -20.0289      1.00000
     11     -19.5077      1.00000
     12     -19.4783      1.00000
     13     -19.3061      1.00000
     14     -19.2933      1.00000
     15     -18.4472      1.00000
     16     -18.4047      1.00000
     17     -17.9238      1.00000
     18     -17.9039      1.00000
     19     -17.7644      1.00000
     20     -17.7201      1.00000
     21     -17.4384      1.00000
     22     -17.4204      1.00000
     23     -17.3390      1.00000
     24     -16.4660      1.00000
     25     -16.4560      1.00000
     26     -15.9687      1.00000
     27     -15.4058      1.00000
     28     -15.4049      1.00000
     29     -15.0912      1.00000
     30     -15.0880      1.00000
     31     -14.8531      1.00000
     32     -14.8413      1.00000
     33     -14.2982      1.00000
     34     -14.2548      1.00000
     35     -13.4453      1.00000
     36     -13.4017      1.00000
     37     -13.1725      1.00000
     38     -13.1712      1.00000
     39     -12.9827      1.00000
     40     -12.9739      1.00000
     41     -12.6089      1.00000
     42     -12.6067      1.00000
     43     -12.2000      1.00000
     44     -11.5724      1.00000
     45     -11.5319      1.00000
     46     -11.3068      1.00000
     47     -11.2771      1.00000
     48     -11.1459      1.00000
     49     -10.6886      1.00000
     50     -10.6608      1.00000
     51     -10.5422      1.00000
     52     -10.3237      1.00000
     53     -10.3165      1.00000
     54     -10.1706      1.00000
     55     -10.1188      1.00000
     56     -10.1062      1.00000
     57      -9.8075      1.00000
     58      -9.7532      1.00000
     59      -9.7522      1.00000
     60      -9.7044      1.00000
     61      -9.7001      1.00000
     62      -9.6423      1.00000
     63      -9.3538      1.00000
     64      -9.3528      1.00000
     65      -9.3104      1.00000
     66      -9.0249      1.00000
     67      -8.9631      1.00000
     68      -8.9578      1.00000
     69      -8.7720      1.00000
     70      -8.5850      1.00000
     71      -8.5835      1.00000
     72      -8.4199      1.00000
     73      -8.3470      1.00000
     74      -8.3212      1.00000
     75      -8.3044      1.00000
     76      -8.2655      1.00000
     77      -8.2528      1.00000
     78      -8.2344      1.00000
     79      -7.9226      1.00000
     80      -7.7342      1.00000
     81      -7.3836      1.00000
     82      -7.3535      1.00000
     83      -7.3120      1.00000
     84      -7.2231      1.00000
     85      -7.1565      1.00000
     86      -7.0652      1.00000
     87      -6.9573      1.00000
     88      -6.9046      1.00000
     89      -6.6092      1.00000
     90      -6.5637      1.00000
     91      -6.2672      1.00000
     92      -5.9951      1.00000
     93      -5.9589      1.00000
     94      -5.6731      1.00000
     95      -5.6465      1.00000
     96      -5.3864      1.00000
     97      -5.3150      1.00000
     98      -5.2936      1.00000
     99      -5.2112      1.00000
    100      -5.1995      1.00000
    101      -4.5037      1.00000
    102      -4.3313      1.00000
    103      -3.9946      1.00000
    104      -3.8844      1.00000
    105      -3.7879      1.00000
    106      -3.4376      1.00000
    107      -2.0350      0.00000
    108      -1.8665      0.00000
    109      -1.2178      0.00000
    110      -1.1906      0.00000
    111      -1.0370      0.00000
    112      -0.7741      0.00000
    113      -0.6828      0.00000
    114      -0.6611      0.00000
    115      -0.6144      0.00000
    116      -0.1066      0.00000
    117       0.2173      0.00000
    118       0.2348      0.00000
    119       0.7781      0.00000
    120       0.9902      0.00000
    121       1.0746      0.00000
    122       1.2394      0.00000
    123       1.2507      0.00000
    124       1.3463      0.00000
    125       1.5788      0.00000
    126       1.5816      0.00000
    127       1.7210      0.00000
    128       1.7933      0.00000
    129       1.9580      0.00000
    130       1.9869      0.00000
    131       2.0501      0.00000
    132       2.2629      0.00000
    133       2.3371      0.00000
    134       2.4313      0.00000
    135       2.5505      0.00000
    136       2.6332      0.00000
    137       2.7345      0.00000
    138       2.8006      0.00000
    139       2.8543      0.00000
    140       2.8708      0.00000
    141       3.0459      0.00000
    142       3.1104      0.00000
    143       3.1688      0.00000
    144       3.2301      0.00000
    145       3.3726      0.00000
    146       3.4201      0.00000
    147       3.5165      0.00000
    148       3.5603      0.00000
    149       3.5890      0.00000
    150       3.6111      0.00000
    151       3.6625      0.00000
    152       3.7391      0.00000
    153       3.7551      0.00000
    154       3.7635      0.00000
    155       3.7826      0.00000
    156       3.8787      0.00000
    157       4.0312      0.00000
    158       4.1006      0.00000
    159       4.1777      0.00000
    160       4.2253      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0448   -7.4007    4.1998   -1.2764   -0.2379   17.6062    0.1367   -0.5293    0.6317   -0.4657
x    -3.0906   -0.0369   -0.0632    0.0620   -0.0120   -2.9781   -0.0088   -0.0069    0.0048    0.0015
x    -0.0969    0.0018   -0.0013    0.0004    0.0002   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0448    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0004    0.0006   -0.0937   -0.0089    0.0365    0.0398
y    -0.0451   -3.2436   -0.5412   -0.1654   -1.1992   -0.6061
z   204.0448    1.1120   -0.3111    0.0495    0.0216    0.0864   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1122    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7613
z    -0.2214    0.2323   -0.0560    0.0610   -0.0898    0.0008
 total charge-density along one line
x   212.0000  -10.2324    6.1485   -2.0867   -0.4737   19.5238   -1.0083    0.4785   -0.0481   -0.1255
x    -2.6446   -0.0272   -0.0609    0.0848   -0.0554   -2.2251   -0.0234   -0.0023    0.0051    0.0021
x    -0.0898    0.0061   -0.0050    0.0027   -0.0008   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2324    6.1485   -2.0867   -0.4737   19.5238   -1.0083    0.4785   -0.0481   -0.1255
y    -2.6446   -0.0272   -0.0609    0.0848   -0.0554   -2.2251   -0.0234   -0.0023    0.0051    0.0021
y    -0.0898    0.0061   -0.0050    0.0027   -0.0008   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3205  188.8861 -170.1319  154.0355 -140.4739  126.7637 -111.3768   95.0201  -79.2154
z    64.8385  -52.0434   40.9452  -31.8800   25.0107  -19.9468   15.9205  -12.3274    9.0567   -6.3361
z     4.3402   -2.9775    1.9955   -1.2066    0.5797   -0.1515   -0.0957    0.2498   -0.3882    0.5137
z    -0.5781    0.5542   -0.4737    0.3959   -0.3540    0.3355   -0.3101    0.2649   -0.2123    0.1703
z    -0.1438    0.1246   -0.1044    0.0828   -0.0652    0.0545   -0.0484    0.0427   -0.0357    0.0289
z    -0.0241    0.0211   -0.0187    0.0159   -0.0129    0.0103   -0.0082    0.0064   -0.0048    0.0035
z    -0.0025    0.0015   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.269   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.627   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.131   0.000  -0.033  -0.279   0.081   0.000  -0.093   0.000   0.000
  0.000   0.269   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.586  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.627   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.026  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.586   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.081   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.035   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.030   8.932
  2        0.520   0.027   0.000   0.548
  3        0.520   0.027   0.000   0.548
  4        0.864   1.782   0.000   2.646
  5        0.864   1.783   0.000   2.647
  6        0.863   1.782   0.000   2.645
  7        0.864   1.782   0.000   2.646
  8        0.864   1.782   0.000   2.645
  9        0.864   1.782   0.000   2.646
 10        0.864   1.784   0.000   2.647
 11        0.864   1.782   0.000   2.646
 12        0.863   1.784   0.000   2.647
 13        0.863   1.782   0.000   2.645
 14        0.864   1.783   0.000   2.646
 15        0.864   1.783   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.863   1.782   0.000   2.645
 20        0.864   1.782   0.000   2.646
 21        0.864   1.781   0.000   2.644
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.645
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.644
 27        0.864   1.782   0.000   2.646
 28        0.864   1.784   0.000   2.647
 29        0.864   1.782   0.000   2.645
 30        0.864   1.784   0.000   2.647
 31        0.864   1.782   0.000   2.646
 32        0.864   1.781   0.000   2.644
 33        0.864   1.781   0.000   2.645
 34        0.863   1.782   0.000   2.645
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.783   0.000   2.646
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.783   0.000   2.647
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.645
 46        0.863   1.784   0.000   2.647
 47        0.864   1.782   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.782   0.000   2.646
 50        0.864   1.782   0.000   2.645
 51        0.864   1.782   0.000   2.646
 52        0.863   1.782   0.000   2.645
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.856  89.382   8.030 142.268
 


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


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


    CHARGE:  VPU time   90.39: CPU time   45.56
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  362.96: CPU time  181.77
    STRESS:  VPU time 1091.42: CPU time  548.44
    FORCOR:  VPU time    7.38: CPU time    7.38
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force = 0.4862360E-05[ 0.447E-05, 0.525E-05]  d Energy = 0.6688988E-05-0.183E-05
 d Force =-0.4115298E-02[-0.412E-02,-0.411E-02]  d Ewald  = 0.1072125E+00-0.111E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726141 eV

  energy  without entropy=     -471.726141  energy(sigma->0) =     -471.726141
 

  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    40765.85  40723.07 -47460.96    -37.05      0.00      0.00
  Hartree  40192.55  40176.38 -39450.22    -14.00      0.00      0.00
  E(xc)     -779.29   -779.59   -807.22     -0.26      0.00      0.00
  Local   -83242.66 -83192.87  84226.35     43.11      0.00      0.00
  n-local   -216.61   -215.57   -203.43      0.63      0.00      0.00
  augment     20.08     22.07     17.83      1.72      0.00      0.00
  Kinetic   3161.02   3175.41   3583.33      4.11      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -1.39     -0.90     -0.38      0.42      0.00      0.00
  in kB       -0.84     -0.55     -0.23      0.26      0.00      0.00
  external pressure =       -0.54 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
    12.350607408 -0.001485933  0.000000000     0.080973304  0.046763017  0.000000000
    -6.176597203 10.695192787  0.000000000     0.000011250  0.093506448  0.000000000
     0.000000000  0.000000000 19.972765810     0.000000000  0.000000000  0.050068178

  length of vectors
    12.350607498 12.350607344 19.972765810     0.093506447  0.093506449  0.050068178


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.475E-05 -.487E-04 -.950E+03   0.420E-05 -.275E-04 0.959E+03   0.424E-21 -.169E-20 -.868E+01   -.692E-07 0.405E-07 -.234E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   0.637E-04 -.375E-04 -.397E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   -.637E-04 0.375E-04 -.397E-03
   -.205E+01 0.118E+01 0.134E+02   0.204E+01 -.118E+01 -.134E+02   -.527E-02 0.304E-02 -.337E-01   0.182E-03 -.108E-03 0.578E-05
   0.621E+01 0.689E+01 0.164E+02   -.622E+01 -.691E+01 -.163E+02   -.458E-02 0.201E-01 -.388E-01   0.121E-03 0.146E-03 0.101E-04
   0.111E+02 0.513E+01 0.166E+02   -.112E+02 -.514E+01 -.166E+02   0.165E-01 0.133E-01 -.469E-01   0.729E-04 0.102E-03 0.128E-03
   0.462E+01 -.840E+00 0.155E+02   -.464E+01 0.851E+00 -.155E+02   0.934E-02 -.324E-02 -.740E-02   0.123E-03 -.140E-04 0.206E-03
   -.311E+01 -.248E+01 0.138E+02   0.311E+01 0.248E+01 -.138E+02   -.413E-02 0.412E-02 -.525E-02   0.165E-03 -.142E-03 0.114E-03
   0.593E+00 0.394E+01 0.138E+02   -.598E+00 -.393E+01 -.138E+02   -.563E-02 0.152E-02 -.525E-02   0.200E-03 -.786E-04 0.111E-03
   0.242E+01 0.189E+02 0.227E+02   -.243E+01 -.190E+02 -.227E+02   -.583E-02 0.968E-01 -.351E-01   0.219E-03 0.174E-03 0.801E-04
   0.226E+02 0.214E+02 0.401E+02   -.227E+02 -.217E+02 -.401E+02   0.706E-01 0.256E+00 -.782E-01   0.329E-03 0.225E-03 0.166E-03
   0.266E+02 -.341E+01 0.259E+02   -.269E+02 0.353E+01 -.259E+02   0.258E+00 -.103E+00 -.317E-01   0.273E-03 -.987E-04 0.314E-03
   0.902E+01 -.521E+01 0.156E+02   -.907E+01 0.523E+01 -.155E+02   0.403E-01 -.233E-01 -.125E-01   0.381E-04 -.284E-04 0.237E-03
   0.304E+01 -.358E+01 0.155E+02   -.306E+01 0.359E+01 -.155E+02   0.747E-02 -.647E-02 -.740E-02   0.715E-04 -.104E-03 0.198E-03
   -.598E+01 0.135E+02 0.176E+02   0.598E+01 -.136E+02 -.175E+02   -.157E-02 0.732E-01 -.505E-01   0.405E-04 0.106E-04 0.213E-03
   -.119E+02 0.360E+02 0.467E+02   0.119E+02 -.366E+02 -.470E+02   -.338E-01 0.602E+00 0.297E+00   -.455E-04 0.359E-03 0.294E-03
   0.234E+02 -.135E+02 0.916E+02   -.241E+02 0.139E+02 -.937E+02   0.625E+00 -.361E+00 0.202E+01   0.228E-03 -.134E-03 0.364E-03
   0.163E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.259E+02   0.219E+00 -.172E+00 -.317E-01   0.220E-03 -.195E-03 0.310E-03
   0.113E+01 -.122E+02 0.166E+02   -.114E+01 0.122E+02 -.166E+02   -.332E-02 -.209E-01 -.469E-01   -.483E-04 -.115E-03 0.123E-03
   -.415E+01 0.192E+01 0.142E+02   0.414E+01 -.193E+01 -.142E+02   -.291E-02 0.132E-01 -.313E-01   0.724E-04 -.329E-04 0.185E-03
   -.192E+02 0.111E+02 0.221E+02   0.192E+02 -.111E+02 -.221E+02   -.554E-01 0.320E-01 -.583E-01   -.598E-04 0.383E-04 0.335E-03
   -.371E+02 -.768E+01 0.467E+02   0.377E+02 0.796E+01 -.470E+02   -.538E+00 -.272E+00 0.297E+00   -.330E-03 -.141E-03 0.297E-03
   -.727E+01 -.303E+02 0.401E+02   0.745E+01 0.305E+02 -.401E+02   -.186E+00 -.189E+00 -.782E-01   -.274E-04 -.402E-03 0.165E-03
   -.287E+01 -.882E+01 0.164E+02   0.288E+01 0.884E+01 -.163E+02   -.197E-01 -.607E-02 -.388E-01   -.643E-04 -.180E-03 0.941E-05
   0.135E+01 -.778E+00 0.128E+02   -.135E+01 0.782E+00 -.128E+02   -.290E-02 0.167E-02 -.336E-01   -.117E-03 0.695E-04 0.630E-04
   -.374E+01 0.263E+01 0.142E+02   0.374E+01 -.262E+01 -.142E+02   -.129E-01 -.409E-02 -.313E-01   0.666E-04 -.415E-04 0.189E-03
   -.147E+02 -.159E+01 0.176E+02   0.148E+02 0.163E+01 -.175E+02   -.642E-01 -.352E-01 -.505E-01   0.129E-04 -.419E-04 0.220E-03
   -.151E+02 -.115E+02 0.227E+02   0.152E+02 0.116E+02 -.227E+02   -.867E-01 -.434E-01 -.351E-01   -.398E-04 -.282E-03 0.826E-04
   0.287E+01 0.882E+01 0.164E+02   -.288E+01 -.884E+01 -.163E+02   0.197E-01 0.607E-02 -.388E-01   0.643E-04 0.180E-03 0.941E-05
   0.151E+02 0.115E+02 0.227E+02   -.152E+02 -.116E+02 -.227E+02   0.867E-01 0.434E-01 -.351E-01   0.397E-04 0.282E-03 0.826E-04
   0.147E+02 0.159E+01 0.176E+02   -.148E+02 -.163E+01 -.175E+02   0.642E-01 0.352E-01 -.505E-01   -.128E-04 0.419E-04 0.220E-03
   0.374E+01 -.263E+01 0.142E+02   -.374E+01 0.262E+01 -.142E+02   0.129E-01 0.409E-02 -.313E-01   -.665E-04 0.415E-04 0.189E-03
   -.135E+01 0.778E+00 0.128E+02   0.135E+01 -.782E+00 -.128E+02   0.290E-02 -.167E-02 -.336E-01   0.117E-03 -.695E-04 0.630E-04
   -.113E+01 0.122E+02 0.166E+02   0.114E+01 -.122E+02 -.166E+02   0.332E-02 0.209E-01 -.469E-01   0.483E-04 0.115E-03 0.123E-03
   0.727E+01 0.303E+02 0.401E+02   -.745E+01 -.305E+02 -.401E+02   0.186E+00 0.189E+00 -.782E-01   0.273E-04 0.402E-03 0.165E-03
   0.371E+02 0.768E+01 0.467E+02   -.377E+02 -.796E+01 -.470E+02   0.538E+00 0.272E+00 0.297E+00   0.330E-03 0.141E-03 0.297E-03
   0.192E+02 -.111E+02 0.221E+02   -.192E+02 0.111E+02 -.221E+02   0.554E-01 -.320E-01 -.583E-01   0.599E-04 -.383E-04 0.335E-03
   0.415E+01 -.192E+01 0.142E+02   -.414E+01 0.193E+01 -.142E+02   0.291E-02 -.132E-01 -.313E-01   -.723E-04 0.329E-04 0.185E-03
   -.304E+01 0.358E+01 0.155E+02   0.306E+01 -.359E+01 -.155E+02   -.747E-02 0.647E-02 -.740E-02   -.714E-04 0.104E-03 0.198E-03
   -.163E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.259E+02   -.219E+00 0.172E+00 -.317E-01   -.220E-03 0.195E-03 0.310E-03
   -.234E+02 0.135E+02 0.916E+02   0.241E+02 -.139E+02 -.937E+02   -.625E+00 0.361E+00 0.202E+01   -.228E-03 0.134E-03 0.364E-03
   0.119E+02 -.360E+02 0.467E+02   -.119E+02 0.366E+02 -.470E+02   0.338E-01 -.602E+00 0.297E+00   0.454E-04 -.359E-03 0.294E-03
   0.598E+01 -.135E+02 0.176E+02   -.598E+01 0.136E+02 -.175E+02   0.157E-02 -.732E-01 -.505E-01   -.405E-04 -.107E-04 0.213E-03
   -.593E+00 -.394E+01 0.138E+02   0.598E+00 0.393E+01 -.138E+02   0.563E-02 -.152E-02 -.525E-02   -.200E-03 0.785E-04 0.111E-03
   -.902E+01 0.521E+01 0.156E+02   0.907E+01 -.523E+01 -.155E+02   -.403E-01 0.233E-01 -.125E-01   -.380E-04 0.283E-04 0.237E-03
   -.266E+02 0.341E+01 0.259E+02   0.269E+02 -.353E+01 -.259E+02   -.258E+00 0.103E+00 -.317E-01   -.273E-03 0.987E-04 0.314E-03
   -.226E+02 -.214E+02 0.401E+02   0.227E+02 0.217E+02 -.401E+02   -.706E-01 -.256E+00 -.782E-01   -.329E-03 -.225E-03 0.166E-03
   -.242E+01 -.189E+02 0.227E+02   0.243E+01 0.190E+02 -.227E+02   0.583E-02 -.968E-01 -.351E-01   -.219E-03 -.174E-03 0.800E-04
   0.205E+01 -.118E+01 0.134E+02   -.204E+01 0.118E+01 -.134E+02   0.527E-02 -.304E-02 -.337E-01   -.182E-03 0.108E-03 0.578E-05
   0.311E+01 0.248E+01 0.138E+02   -.311E+01 -.248E+01 -.138E+02   0.413E-02 -.412E-02 -.525E-02   -.165E-03 0.142E-03 0.114E-03
   -.462E+01 0.840E+00 0.155E+02   0.464E+01 -.851E+00 -.155E+02   -.934E-02 0.324E-02 -.740E-02   -.123E-03 0.140E-04 0.206E-03
   -.111E+02 -.513E+01 0.166E+02   0.112E+02 0.514E+01 -.166E+02   -.165E-01 -.133E-01 -.469E-01   -.729E-04 -.101E-03 0.128E-03
   -.621E+01 -.689E+01 0.164E+02   0.622E+01 0.691E+01 -.163E+02   0.458E-02 -.201E-01 -.388E-01   -.121E-03 -.146E-03 0.101E-04
 -----------------------------------------------------------------------------------------------
   -.179E-02 0.287E-03 0.101E+02   0.475E-12 0.314E-12 -.583E-12   -.181E-15 -.451E-16 -.101E+02   -.643E-07 0.358E-07 0.570E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85186      6.05997     12.33098         0.000000      0.000000      0.021777
      1.07718      6.50722     13.59332         0.005822     -0.003361     -0.013472
      2.62653      5.61271     13.59332        -0.005822      0.003361     -0.013472
      0.00015     -0.00009      9.97396        -0.011607      0.006702     -0.010139
     -1.23533      2.13771      9.97405        -0.014734      0.003518     -0.006800
     -2.47144      4.27772      9.97926        -0.010678      0.008424      0.005030
     -3.70619      6.41706      9.97633        -0.012747      0.008243      0.009281
     -4.94108      8.55606      9.97437        -0.011077      0.006513      0.001745
      2.47030     -0.00042      9.97437        -0.011179      0.006336      0.001745
      1.23427      2.13741      9.97764        -0.013597     -0.003192      0.006643
     -0.00293      4.27225      9.99212        -0.015681     -0.002000     -0.012983
     -1.23961      6.41726     10.00317        -0.018223      0.010662      0.002462
     -2.47140      8.55600      9.98063        -0.009096      0.005251      0.002675
      4.94018     -0.00037      9.97633        -0.013512      0.006917      0.009281
      3.70532      2.13661      9.98554        -0.006155      0.005953     -0.004358
      2.47044      4.26928     10.02459        -0.009198     -0.001031      0.001249
      1.22878      6.41970     10.03375        -0.015842      0.009147      0.012251
     -0.00330      8.55860     10.00317        -0.018346      0.010451      0.002462
      7.41027     -0.00002      9.97926        -0.012634      0.005035      0.005030
      6.17491      2.13805      9.97602        -0.010877      0.007300      0.009885
      4.94048      4.27675      9.99584        -0.009811      0.005664     -0.017917
      3.71193      6.41960     10.02459        -0.003707      0.008481      0.001249
      2.47267      8.56012      9.99212        -0.006108      0.014580     -0.012983
      9.88163     -0.00052      9.97405        -0.010413      0.011001     -0.006800
      8.64525      2.13780      9.97394        -0.010051      0.005803     -0.008594
      7.40986      4.27705      9.97602        -0.011761      0.005770      0.009885
      6.17632      6.41650      9.98554        -0.008233      0.002354     -0.004358
      4.94009      8.55609      9.97764        -0.004034      0.013371      0.006643
     -0.00131      1.42526      9.97405         0.010413     -0.011001     -0.006800
     -1.23638      3.56384      9.97764         0.004034     -0.013371      0.006643
     -2.47260      5.70343      9.98554         0.008233     -0.002354     -0.004358
     -3.70614      7.84288      9.97602         0.011761     -0.005770      0.009885
     -4.94153      9.98213      9.97394         0.010051     -0.005803     -0.008594
      2.47004      1.42476      9.97926         0.012634     -0.005035      0.005030
      1.23104      3.55981      9.99212         0.006108     -0.014580     -0.012983
     -0.00821      5.70033     10.02459         0.003707     -0.008481      0.001249
     -1.23676      7.84318      9.99584         0.009811     -0.005664     -0.017917
     -2.47119      9.98188      9.97602         0.010877     -0.007300      0.009885
      4.94013      1.42510      9.97633         0.013512     -0.006917      0.009281
      3.70702      3.56133     10.00317         0.018346     -0.010451      0.002462
      2.47494      5.70023     10.03375         0.015842     -0.009147      0.012251
      1.23328      7.85065     10.02459         0.009198      0.001031      0.001249
     -0.00161      9.98333      9.98554         0.006155     -0.005953     -0.004358
      7.41002      1.42516      9.97437         0.011179     -0.006336      0.001745
      6.17512      3.56393      9.98063         0.009096     -0.005251      0.002675
      4.94332      5.70267     10.00317         0.018223     -0.010662      0.002462
      3.70665      7.84769      9.99212         0.015681      0.002000     -0.012983
      2.46944      9.98252      9.97764         0.013597      0.003192      0.006643
      9.88016      1.42483      9.97396         0.011607     -0.006702     -0.010139
      8.64479      3.56387      9.97437         0.011077     -0.006513      0.001745
      7.40990      5.70288      9.97633         0.012747     -0.008243      0.009281
      6.17516      7.84221      9.97926         0.010678     -0.008424      0.005030
      4.93904      9.98222      9.97405         0.014734     -0.003518     -0.006800
 -----------------------------------------------------------------------------------
    total drift:                               -0.001791      0.000287      0.005484


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




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


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  151.98: CPU time   76.07
     LOOP+:  VPU time 4112.18: CPU time 2101.23


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


    POTLOK:  VPU time    7.74: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1487.98: CPU time  760.70
 BZINTS: Fermi energy: -3.211531;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.18: CPU time   45.46
    MIXING:  VPU time    0.12: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1586.37: CPU time  814.29

 eigenvalue-minimisations  :  6080
 total energy-change (2. order) :-0.4717270E+03  (-0.6659161E-02)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9580116 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.11021E-01    rms(broyden)= 0.11018E-01
  rms(prec ) = 0.12207E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34064.27137985
  -1/2 Hartree   DENC   =    -40951.51603776
  -V(xc)+E(xc)   XCENC  =       726.43689393
  PAW double counting   =      4090.61348358    -4128.92763632
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2478.04495570
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72701881 eV

  energy without entropy =     -471.72701881  energy(sigma->0) =     -471.72701881


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




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


    POTLOK:  VPU time    7.66: CPU time    7.67
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1522.92: CPU time  778.34
 BZINTS: Fermi energy: -3.211955;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.20: CPU time   45.46
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1621.25: CPU time  831.91

 eigenvalue-minimisations  :  6272
 total energy-change (2. order) : 0.3247878E-03  (-0.1412246E-03)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9586646 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.63483E-02    rms(broyden)= 0.63479E-02
  rms(prec ) = 0.70803E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0351
  2.0351

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34064.27137985
  -1/2 Hartree   DENC   =    -40952.56570205
  -V(xc)+E(xc)   XCENC  =       726.47439322
  PAW double counting   =      4091.83353453    -4130.15586851
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2477.02428466
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72669402 eV

  energy without entropy =     -471.72669402  energy(sigma->0) =     -471.72669402


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




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


    POTLOK:  VPU time    7.66: CPU time    7.66
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1476.95: CPU time  754.97
 BZINTS: Fermi energy: -3.192599;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.34: CPU time   45.46
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1575.43: CPU time  808.54

 eigenvalue-minimisations  :  6016
 total energy-change (2. order) : 0.2319772E-03  (-0.5573336E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9576919 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.10800E-02    rms(broyden)= 0.10791E-02
  rms(prec ) = 0.12844E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5257
  2.0953  0.9560

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34064.27137985
  -1/2 Hartree   DENC   =    -40954.01434882
  -V(xc)+E(xc)   XCENC  =       726.52151963
  PAW double counting   =      4093.27087282    -4131.60173237
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.61400676
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72646205 eV

  energy without entropy =     -471.72646205  energy(sigma->0) =     -471.72646205


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




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


    POTLOK:  VPU time    7.66: CPU time    7.66
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1227.38: CPU time  627.56
 BZINTS: Fermi energy: -3.194911;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1235.39: CPU time  635.54

 eigenvalue-minimisations  :  4632
 total energy-change (2. order) : 0.4123011E-05  (-0.5287535E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9576919 magnetization   -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34064.27137985
  -1/2 Hartree   DENC   =    -40954.16426412
  -V(xc)+E(xc)   XCENC  =       726.52326920
  PAW double counting   =      4093.20338082    -4131.53277856
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.46729873
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72645792 eV

  energy without entropy =     -471.72645792  energy(sigma->0) =     -471.72645792


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2098       2 -39.5496       3 -39.5496       4 -58.3185       5 -58.3225
       6 -58.3256       7 -58.3199       8 -58.3205       9 -58.3205      10 -58.3264
      11 -58.3930      12 -58.3567      13 -58.3282      14 -58.3199      15 -58.3297
      16 -58.5461      17 -58.7331      18 -58.3567      19 -58.3256      20 -58.3253
      21 -58.3628      22 -58.5461      23 -58.3930      24 -58.3225      25 -58.3282
      26 -58.3253      27 -58.3297      28 -58.3264      29 -58.3224      30 -58.3263
      31 -58.3296      32 -58.3252      33 -58.3281      34 -58.3254      35 -58.3929
      36 -58.5460      37 -58.3627      38 -58.3252      39 -58.3198      40 -58.3566
      41 -58.7329      42 -58.5460      43 -58.3296      44 -58.3204      45 -58.3280
      46 -58.3566      47 -58.3929      48 -58.3263      49 -58.3183      50 -58.3204
      51 -58.3198      52 -58.3255      53 -58.3224
 
 
 
 E-fermi :  -3.1949     XC(G=0):  -2.3552     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     -22.4284      1.00000
      2     -21.6032      1.00000
      3     -21.4845      1.00000
      4     -21.4756      1.00000
      5     -21.4436      1.00000
      6     -21.4433      1.00000
      7     -21.4324      1.00000
      8     -19.7086      1.00000
      9     -19.6543      1.00000
     10     -19.6334      1.00000
     11     -19.6208      1.00000
     12     -19.6173      1.00000
     13     -19.6149      1.00000
     14     -18.7923      1.00000
     15     -18.7556      1.00000
     16     -18.7392      1.00000
     17     -18.7295      1.00000
     18     -18.7198      1.00000
     19     -18.7171      1.00000
     20     -16.6393      1.00000
     21     -16.6101      1.00000
     22     -16.5881      1.00000
     23     -16.5870      1.00000
     24     -16.5572      1.00000
     25     -16.5561      1.00000
     26     -15.6157      1.00000
     27     -15.6049      1.00000
     28     -15.6016      1.00000
     29     -15.5690      1.00000
     30     -15.5671      1.00000
     31     -15.5644      1.00000
     32     -14.2614      1.00000
     33     -14.2537      1.00000
     34     -14.2458      1.00000
     35     -14.2407      1.00000
     36     -14.2253      1.00000
     37     -14.2215      1.00000
     38     -11.9077      1.00000
     39     -11.8821      1.00000
     40     -11.8715      1.00000
     41     -11.8699      1.00000
     42     -11.8494      1.00000
     43     -11.8493      1.00000
     44     -11.7747      1.00000
     45     -11.7731      1.00000
     46     -11.7365      1.00000
     47     -11.7329      1.00000
     48     -11.7315      1.00000
     49     -11.7230      1.00000
     50     -10.6748      1.00000
     51     -10.3909      1.00000
     52     -10.3872      1.00000
     53     -10.3809      1.00000
     54     -10.3706      1.00000
     55     -10.3602      1.00000
     56     -10.3568      1.00000
     57      -9.9030      1.00000
     58      -9.4515      1.00000
     59      -9.4083      1.00000
     60      -9.3654      1.00000
     61      -9.3644      1.00000
     62      -9.3565      1.00000
     63      -9.1420      1.00000
     64      -9.1326      1.00000
     65      -9.1234      1.00000
     66      -9.0904      1.00000
     67      -9.0749      1.00000
     68      -9.0732      1.00000
     69      -9.0724      1.00000
     70      -9.0709      1.00000
     71      -9.0664      1.00000
     72      -9.0458      1.00000
     73      -9.0315      1.00000
     74      -9.0290      1.00000
     75      -8.1416      1.00000
     76      -7.7360      1.00000
     77      -7.4761      1.00000
     78      -7.4672      1.00000
     79      -7.4616      1.00000
     80      -7.4386      1.00000
     81      -7.4251      1.00000
     82      -7.4118      1.00000
     83      -7.3153      1.00000
     84      -7.2725      1.00000
     85      -7.2609      1.00000
     86      -7.2518      1.00000
     87      -7.1611      1.00000
     88      -7.0500      1.00000
     89      -6.4505      1.00000
     90      -6.4190      1.00000
     91      -6.4037      1.00000
     92      -6.3655      1.00000
     93      -6.3566      1.00000
     94      -6.3434      1.00000
     95      -5.9691      1.00000
     96      -5.9569      1.00000
     97      -4.7997      1.00000
     98      -4.5432      1.00000
     99      -4.4835      1.00000
    100      -4.4757      1.00000
    101      -4.3862      1.00000
    102      -4.3850      1.00000
    103      -4.2700      1.00000
    104      -4.1880      1.00000
    105      -3.7377      1.00000
    106      -3.4732      1.00000
    107      -1.8631      0.00000
    108      -1.6765      0.00000
    109      -1.6287      0.00000
    110      -1.5971      0.00000
    111      -1.5810      0.00000
    112      -1.5806      0.00000
    113      -0.4304      0.00000
    114       0.1397      0.00000
    115       0.1859      0.00000
    116       0.2486      0.00000
    117       0.2647      0.00000
    118       0.2650      0.00000
    119       0.4683      0.00000
    120       0.5289      0.00000
    121       1.2286      0.00000
    122       1.2806      0.00000
    123       1.5013      0.00000
    124       1.7543      0.00000
    125       1.7568      0.00000
    126       1.7574      0.00000
    127       1.8111      0.00000
    128       1.8203      0.00000
    129       1.9517      0.00000
    130       1.9590      0.00000
    131       1.9683      0.00000
    132       1.9829      0.00000
    133       1.9903      0.00000
    134       2.0583      0.00000
    135       2.2206      0.00000
    136       2.3322      0.00000
    137       2.5750      0.00000
    138       2.5789      0.00000
    139       2.5996      0.00000
    140       2.6974      0.00000
    141       2.9220      0.00000
    142       3.0531      0.00000
    143       3.0766      0.00000
    144       3.0974      0.00000
    145       3.1132      0.00000
    146       3.1159      0.00000
    147       3.1209      0.00000
    148       3.2542      0.00000
    149       3.4414      0.00000
    150       3.4904      0.00000
    151       3.8221      0.00000
    152       3.9556      0.00000
    153       3.9557      0.00000
    154       3.9590      0.00000
    155       3.9643      0.00000
    156       3.9908      0.00000
    157       4.1740      0.00000
    158       4.2480      0.00000
    159       4.2566      0.00000
    160       4.2706      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3917      1.00000
      2     -21.8326      1.00000
      3     -21.6401      1.00000
      4     -21.6134      1.00000
      5     -21.2766      1.00000
      6     -21.2384      1.00000
      7     -21.0601      1.00000
      8     -20.1700      1.00000
      9     -20.1330      1.00000
     10     -19.6105      1.00000
     11     -19.5996      1.00000
     12     -19.4209      1.00000
     13     -19.0925      1.00000
     14     -19.0615      1.00000
     15     -19.0528      1.00000
     16     -19.0449      1.00000
     17     -18.3640      1.00000
     18     -18.3542      1.00000
     19     -18.0236      1.00000
     20     -17.0731      1.00000
     21     -17.0352      1.00000
     22     -16.9500      1.00000
     23     -16.9405      1.00000
     24     -16.4714      1.00000
     25     -16.4639      1.00000
     26     -15.6152      1.00000
     27     -15.6102      1.00000
     28     -15.2559      1.00000
     29     -15.2480      1.00000
     30     -15.1893      1.00000
     31     -15.1020      1.00000
     32     -15.0758      1.00000
     33     -14.7022      1.00000
     34     -14.6974      1.00000
     35     -13.7315      1.00000
     36     -13.7244      1.00000
     37     -13.2414      1.00000
     38     -12.6185      1.00000
     39     -12.5889      1.00000
     40     -12.4606      1.00000
     41     -12.4526      1.00000
     42     -12.1149      1.00000
     43     -12.1064      1.00000
     44     -11.7179      1.00000
     45     -11.6871      1.00000
     46     -11.2371      1.00000
     47     -11.2303      1.00000
     48     -11.0246      1.00000
     49     -11.0129      1.00000
     50     -10.9287      1.00000
     51     -10.9071      1.00000
     52     -10.6293      1.00000
     53     -10.1626      1.00000
     54     -10.1521      1.00000
     55     -10.0980      1.00000
     56      -9.9993      1.00000
     57      -9.7047      1.00000
     58      -9.7013      1.00000
     59      -9.6584      1.00000
     60      -9.5956      1.00000
     61      -9.5769      1.00000
     62      -9.5621      1.00000
     63      -9.3172      1.00000
     64      -9.3050      1.00000
     65      -9.2760      1.00000
     66      -9.2365      1.00000
     67      -9.1391      1.00000
     68      -9.1264      1.00000
     69      -9.1112      1.00000
     70      -8.9426      1.00000
     71      -8.8722      1.00000
     72      -8.6084      1.00000
     73      -8.5926      1.00000
     74      -8.2430      1.00000
     75      -8.1078      1.00000
     76      -7.9124      1.00000
     77      -7.8647      1.00000
     78      -7.7794      1.00000
     79      -7.7611      1.00000
     80      -7.7003      1.00000
     81      -7.5571      1.00000
     82      -7.3464      1.00000
     83      -7.3270      1.00000
     84      -7.2082      1.00000
     85      -7.1252      1.00000
     86      -7.0366      1.00000
     87      -7.0135      1.00000
     88      -6.7078      1.00000
     89      -6.6815      1.00000
     90      -6.6452      1.00000
     91      -6.6005      1.00000
     92      -6.1240      1.00000
     93      -6.0648      1.00000
     94      -6.0333      1.00000
     95      -6.0133      1.00000
     96      -5.7870      1.00000
     97      -4.9722      1.00000
     98      -4.8332      1.00000
     99      -4.7499      1.00000
    100      -4.6833      1.00000
    101      -4.4659      1.00000
    102      -4.2031      1.00000
    103      -4.1725      1.00000
    104      -4.1310      1.00000
    105      -3.7283      1.00000
    106      -3.4831      1.00000
    107      -1.8737      0.00000
    108      -1.8147      0.00000
    109      -1.5276      0.00000
    110      -1.3819      0.00000
    111      -1.3271      0.00000
    112      -1.2938      0.00000
    113      -0.7247      0.00000
    114      -0.3807      0.00000
    115      -0.2539      0.00000
    116       0.0304      0.00000
    117       0.5384      0.00000
    118       0.6923      0.00000
    119       0.7384      0.00000
    120       1.0391      0.00000
    121       1.0931      0.00000
    122       1.1376      0.00000
    123       1.2176      0.00000
    124       1.3623      0.00000
    125       1.5015      0.00000
    126       1.5549      0.00000
    127       1.7008      0.00000
    128       1.8124      0.00000
    129       1.8539      0.00000
    130       1.8731      0.00000
    131       2.0801      0.00000
    132       2.1616      0.00000
    133       2.2220      0.00000
    134       2.2818      0.00000
    135       2.4922      0.00000
    136       2.5625      0.00000
    137       2.6525      0.00000
    138       2.7636      0.00000
    139       2.7884      0.00000
    140       2.8212      0.00000
    141       2.8701      0.00000
    142       2.8850      0.00000
    143       2.9461      0.00000
    144       3.0491      0.00000
    145       3.1343      0.00000
    146       3.2963      0.00000
    147       3.3949      0.00000
    148       3.4398      0.00000
    149       3.4580      0.00000
    150       3.6106      0.00000
    151       3.6396      0.00000
    152       3.6708      0.00000
    153       3.7111      0.00000
    154       3.8961      0.00000
    155       3.9423      0.00000
    156       3.9954      0.00000
    157       4.0480      0.00000
    158       4.2295      0.00000
    159       4.2411      0.00000
    160       4.2577      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2855      1.00000
      2     -22.0805      1.00000
      3     -21.7184      1.00000
      4     -21.6878      1.00000
      5     -20.9814      1.00000
      6     -20.9421      1.00000
      7     -20.6140      1.00000
      8     -20.5784      1.00000
      9     -20.5725      1.00000
     10     -20.0361      1.00000
     11     -19.5054      1.00000
     12     -19.4937      1.00000
     13     -19.3094      1.00000
     14     -19.3037      1.00000
     15     -18.4509      1.00000
     16     -18.4153      1.00000
     17     -17.9263      1.00000
     18     -17.9145      1.00000
     19     -17.7653      1.00000
     20     -17.7305      1.00000
     21     -17.4407      1.00000
     22     -17.4298      1.00000
     23     -17.3462      1.00000
     24     -16.4651      1.00000
     25     -16.4631      1.00000
     26     -15.9710      1.00000
     27     -15.4151      1.00000
     28     -15.4119      1.00000
     29     -15.0982      1.00000
     30     -15.0957      1.00000
     31     -14.8597      1.00000
     32     -14.8522      1.00000
     33     -14.2947      1.00000
     34     -14.2625      1.00000
     35     -13.4413      1.00000
     36     -13.4093      1.00000
     37     -13.1829      1.00000
     38     -13.1746      1.00000
     39     -12.9857      1.00000
     40     -12.9801      1.00000
     41     -12.6193      1.00000
     42     -12.6103      1.00000
     43     -12.2038      1.00000
     44     -11.5773      1.00000
     45     -11.5436      1.00000
     46     -11.3119      1.00000
     47     -11.2889      1.00000
     48     -11.1483      1.00000
     49     -10.6768      1.00000
     50     -10.6643      1.00000
     51     -10.5516      1.00000
     52     -10.3329      1.00000
     53     -10.3189      1.00000
     54     -10.1726      1.00000
     55     -10.1207      1.00000
     56     -10.1120      1.00000
     57      -9.7994      1.00000
     58      -9.7745      1.00000
     59      -9.7524      1.00000
     60      -9.7082      1.00000
     61      -9.7000      1.00000
     62      -9.6640      1.00000
     63      -9.3650      1.00000
     64      -9.3511      1.00000
     65      -9.3156      1.00000
     66      -9.0425      1.00000
     67      -8.9709      1.00000
     68      -8.9516      1.00000
     69      -8.8014      1.00000
     70      -8.5946      1.00000
     71      -8.5610      1.00000
     72      -8.4001      1.00000
     73      -8.3683      1.00000
     74      -8.3289      1.00000
     75      -8.3110      1.00000
     76      -8.2651      1.00000
     77      -8.2586      1.00000
     78      -8.2375      1.00000
     79      -7.9126      1.00000
     80      -7.6562      1.00000
     81      -7.5470      1.00000
     82      -7.3922      1.00000
     83      -7.3551      1.00000
     84      -7.2385      1.00000
     85      -7.1014      1.00000
     86      -7.0406      1.00000
     87      -6.9381      1.00000
     88      -6.8499      1.00000
     89      -6.6138      1.00000
     90      -6.5666      1.00000
     91      -6.2712      1.00000
     92      -6.0461      1.00000
     93      -5.9552      1.00000
     94      -5.6663      1.00000
     95      -5.6242      1.00000
     96      -5.4643      1.00000
     97      -5.3237      1.00000
     98      -5.2822      1.00000
     99      -5.2186      1.00000
    100      -5.1958      1.00000
    101      -4.5029      1.00000
    102      -4.2065      1.00000
    103      -4.0581      1.00000
    104      -3.9918      1.00000
    105      -3.6941      1.00000
    106      -3.4932      1.00000
    107      -1.9504      0.00000
    108      -1.9028      0.00000
    109      -1.3406      0.00000
    110      -1.0904      0.00000
    111      -1.0625      0.00000
    112      -0.8053      0.00000
    113      -0.6812      0.00000
    114      -0.6528      0.00000
    115      -0.6130      0.00000
    116      -0.1136      0.00000
    117       0.2091      0.00000
    118       0.3218      0.00000
    119       0.6771      0.00000
    120       0.8700      0.00000
    121       1.1172      0.00000
    122       1.1914      0.00000
    123       1.3112      0.00000
    124       1.4010      0.00000
    125       1.5443      0.00000
    126       1.5674      0.00000
    127       1.6571      0.00000
    128       1.7955      0.00000
    129       1.8572      0.00000
    130       2.0329      0.00000
    131       2.1300      0.00000
    132       2.3258      0.00000
    133       2.3580      0.00000
    134       2.3734      0.00000
    135       2.5170      0.00000
    136       2.6164      0.00000
    137       2.7101      0.00000
    138       2.7717      0.00000
    139       2.8400      0.00000
    140       2.8740      0.00000
    141       3.0320      0.00000
    142       3.0475      0.00000
    143       3.1396      0.00000
    144       3.2452      0.00000
    145       3.3387      0.00000
    146       3.3966      0.00000
    147       3.4118      0.00000
    148       3.5604      0.00000
    149       3.5755      0.00000
    150       3.5881      0.00000
    151       3.6458      0.00000
    152       3.6557      0.00000
    153       3.7612      0.00000
    154       3.7909      0.00000
    155       3.8177      0.00000
    156       3.8812      0.00000
    157       3.9006      0.00000
    158       3.9742      0.00000
    159       4.1915      0.00000
    160       4.2139      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3196      1.00000
      2     -21.9648      1.00000
      3     -21.8967      1.00000
      4     -21.3826      1.00000
      5     -21.3542      1.00000
      6     -20.8426      1.00000
      7     -20.7782      1.00000
      8     -20.6278      1.00000
      9     -20.0793      1.00000
     10     -20.0738      1.00000
     11     -19.7198      1.00000
     12     -19.6961      1.00000
     13     -18.9988      1.00000
     14     -18.9933      1.00000
     15     -18.6415      1.00000
     16     -18.6258      1.00000
     17     -18.4675      1.00000
     18     -17.6799      1.00000
     19     -17.6305      1.00000
     20     -17.6276      1.00000
     21     -17.5863      1.00000
     22     -17.1287      1.00000
     23     -17.1077      1.00000
     24     -16.9619      1.00000
     25     -16.0023      1.00000
     26     -15.9307      1.00000
     27     -15.5897      1.00000
     28     -15.5896      1.00000
     29     -15.2909      1.00000
     30     -14.8670      1.00000
     31     -14.8401      1.00000
     32     -14.5851      1.00000
     33     -14.5439      1.00000
     34     -14.1686      1.00000
     35     -14.1550      1.00000
     36     -13.1511      1.00000
     37     -13.1061      1.00000
     38     -13.0364      1.00000
     39     -13.0270      1.00000
     40     -12.7152      1.00000
     41     -12.7114      1.00000
     42     -12.3425      1.00000
     43     -12.3115      1.00000
     44     -11.6354      1.00000
     45     -11.6224      1.00000
     46     -11.5739      1.00000
     47     -10.9503      1.00000
     48     -10.9175      1.00000
     49     -10.6347      1.00000
     50     -10.6306      1.00000
     51     -10.5495      1.00000
     52     -10.5001      1.00000
     53     -10.4993      1.00000
     54     -10.4451      1.00000
     55     -10.3706      1.00000
     56     -10.1006      1.00000
     57      -9.9061      1.00000
     58      -9.6188      1.00000
     59      -9.5673      1.00000
     60      -9.4543      1.00000
     61      -9.4132      1.00000
     62      -9.4078      1.00000
     63      -9.3860      1.00000
     64      -9.3840      1.00000
     65      -9.2887      1.00000
     66      -9.1682      1.00000
     67      -9.1431      1.00000
     68      -9.1165      1.00000
     69      -8.8643      1.00000
     70      -8.8573      1.00000
     71      -8.8184      1.00000
     72      -8.6002      1.00000
     73      -8.4834      1.00000
     74      -8.2003      1.00000
     75      -8.1644      1.00000
     76      -8.0168      1.00000
     77      -7.9599      1.00000
     78      -7.8595      1.00000
     79      -7.8495      1.00000
     80      -7.7117      1.00000
     81      -7.7029      1.00000
     82      -7.6282      1.00000
     83      -7.4491      1.00000
     84      -7.3096      1.00000
     85      -7.2520      1.00000
     86      -6.9089      1.00000
     87      -6.8947      1.00000
     88      -6.5921      1.00000
     89      -6.5538      1.00000
     90      -6.4166      1.00000
     91      -6.2550      1.00000
     92      -6.2347      1.00000
     93      -6.2044      1.00000
     94      -6.0272      1.00000
     95      -5.5529      1.00000
     96      -5.4925      1.00000
     97      -5.3530      1.00000
     98      -5.2247      1.00000
     99      -4.9809      1.00000
    100      -4.7315      1.00000
    101      -4.6797      1.00000
    102      -4.3868      1.00000
    103      -4.2019      1.00000
    104      -3.8672      1.00000
    105      -3.5486      1.00000
    106      -3.5044      1.00000
    107      -2.2624      0.00000
    108      -1.4574      0.00000
    109      -1.3761      0.00000
    110      -1.2471      0.00000
    111      -1.1025      0.00000
    112      -0.9513      0.00000
    113      -0.8696      0.00000
    114      -0.8092      0.00000
    115      -0.1443      0.00000
    116       0.1060      0.00000
    117       0.2377      0.00000
    118       0.3711      0.00000
    119       0.6341      0.00000
    120       0.8273      0.00000
    121       0.9291      0.00000
    122       1.0476      0.00000
    123       1.2153      0.00000
    124       1.4288      0.00000
    125       1.5258      0.00000
    126       1.7581      0.00000
    127       1.7820      0.00000
    128       1.8619      0.00000
    129       1.9408      0.00000
    130       2.0329      0.00000
    131       2.1506      0.00000
    132       2.1854      0.00000
    133       2.3898      0.00000
    134       2.4755      0.00000
    135       2.5377      0.00000
    136       2.5990      0.00000
    137       2.6350      0.00000
    138       2.6761      0.00000
    139       2.7693      0.00000
    140       2.8099      0.00000
    141       2.9270      0.00000
    142       3.0678      0.00000
    143       3.1747      0.00000
    144       3.2190      0.00000
    145       3.2590      0.00000
    146       3.3175      0.00000
    147       3.3294      0.00000
    148       3.4493      0.00000
    149       3.4717      0.00000
    150       3.6827      0.00000
    151       3.6888      0.00000
    152       3.7080      0.00000
    153       3.8409      0.00000
    154       3.8980      0.00000
    155       3.9324      0.00000
    156       3.9682      0.00000
    157       4.0168      0.00000
    158       4.0218      0.00000
    159       4.0420      0.00000
    160       4.0730      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2120      1.00000
      2     -22.1205      1.00000
      3     -21.9594      1.00000
      4     -21.4067      1.00000
      5     -21.0521      1.00000
      6     -21.0171      1.00000
      7     -20.5029      1.00000
      8     -20.4644      1.00000
      9     -20.2983      1.00000
     10     -20.2793      1.00000
     11     -19.9597      1.00000
     12     -19.8944      1.00000
     13     -18.8844      1.00000
     14     -18.8162      1.00000
     15     -18.3563      1.00000
     16     -18.3110      1.00000
     17     -18.1567      1.00000
     18     -18.1388      1.00000
     19     -17.8307      1.00000
     20     -17.7933      1.00000
     21     -17.2567      1.00000
     22     -17.2424      1.00000
     23     -17.1705      1.00000
     24     -17.1350      1.00000
     25     -16.1138      1.00000
     26     -15.8871      1.00000
     27     -15.8729      1.00000
     28     -15.8366      1.00000
     29     -15.2416      1.00000
     30     -14.5567      1.00000
     31     -14.5297      1.00000
     32     -14.2851      1.00000
     33     -13.9696      1.00000
     34     -13.9607      1.00000
     35     -13.8256      1.00000
     36     -13.8082      1.00000
     37     -13.6183      1.00000
     38     -13.5743      1.00000
     39     -13.3732      1.00000
     40     -12.6383      1.00000
     41     -12.1842      1.00000
     42     -12.1362      1.00000
     43     -12.0740      1.00000
     44     -12.0218      1.00000
     45     -11.6759      1.00000
     46     -11.6625      1.00000
     47     -11.1414      1.00000
     48     -11.1208      1.00000
     49     -10.7956      1.00000
     50     -10.7318      1.00000
     51     -10.5258      1.00000
     52     -10.2188      1.00000
     53     -10.2067      1.00000
     54     -10.1672      1.00000
     55     -10.0243      1.00000
     56     -10.0074      1.00000
     57      -9.9933      1.00000
     58      -9.8102      1.00000
     59      -9.8004      1.00000
     60      -9.7669      1.00000
     61      -9.7610      1.00000
     62      -9.4551      1.00000
     63      -9.4184      1.00000
     64      -9.0817      1.00000
     65      -9.0797      1.00000
     66      -9.0449      1.00000
     67      -8.9582      1.00000
     68      -8.8797      1.00000
     69      -8.7192      1.00000
     70      -8.7047      1.00000
     71      -8.5670      1.00000
     72      -8.5443      1.00000
     73      -8.5014      1.00000
     74      -8.4699      1.00000
     75      -8.4561      1.00000
     76      -8.2618      1.00000
     77      -8.1290      1.00000
     78      -8.0458      1.00000
     79      -7.9214      1.00000
     80      -7.8655      1.00000
     81      -7.6196      1.00000
     82      -7.5510      1.00000
     83      -7.4991      1.00000
     84      -7.2664      1.00000
     85      -7.0020      1.00000
     86      -6.9303      1.00000
     87      -6.8892      1.00000
     88      -6.5350      1.00000
     89      -6.4888      1.00000
     90      -6.4642      1.00000
     91      -6.4125      1.00000
     92      -5.9862      1.00000
     93      -5.9005      1.00000
     94      -5.7890      1.00000
     95      -5.7615      1.00000
     96      -5.4337      1.00000
     97      -5.3319      1.00000
     98      -5.2345      1.00000
     99      -5.2220      1.00000
    100      -5.1901      1.00000
    101      -4.6917      1.00000
    102      -4.4193      1.00000
    103      -4.2082      1.00000
    104      -3.8296      1.00000
    105      -3.5236      1.00000
    106      -3.2778      1.00000
    107      -2.5369      0.00000
    108      -1.4594      0.00000
    109      -1.2724      0.00000
    110      -1.2082      0.00000
    111      -1.1771      0.00000
    112      -0.7236      0.00000
    113      -0.5093      0.00000
    114      -0.4172      0.00000
    115      -0.3437      0.00000
    116      -0.1517      0.00000
    117      -0.0094      0.00000
    118       0.1865      0.00000
    119       0.5546      0.00000
    120       0.6058      0.00000
    121       0.7811      0.00000
    122       0.8875      0.00000
    123       1.1135      0.00000
    124       1.4688      0.00000
    125       1.6163      0.00000
    126       1.8185      0.00000
    127       1.9064      0.00000
    128       2.0835      0.00000
    129       2.0945      0.00000
    130       2.1670      0.00000
    131       2.1918      0.00000
    132       2.2728      0.00000
    133       2.3400      0.00000
    134       2.4686      0.00000
    135       2.5717      0.00000
    136       2.6393      0.00000
    137       2.8345      0.00000
    138       2.8614      0.00000
    139       2.8788      0.00000
    140       3.0133      0.00000
    141       3.0178      0.00000
    142       3.1205      0.00000
    143       3.1922      0.00000
    144       3.2278      0.00000
    145       3.2644      0.00000
    146       3.2672      0.00000
    147       3.2907      0.00000
    148       3.3311      0.00000
    149       3.4007      0.00000
    150       3.4201      0.00000
    151       3.5241      0.00000
    152       3.6070      0.00000
    153       3.7199      0.00000
    154       3.7349      0.00000
    155       3.7475      0.00000
    156       3.8790      0.00000
    157       3.9274      0.00000
    158       3.9872      0.00000
    159       4.0988      0.00000
    160       4.1964      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3194      1.00000
      2     -21.9664      1.00000
      3     -21.8951      1.00000
      4     -21.3870      1.00000
      5     -21.3515      1.00000
      6     -20.8416      1.00000
      7     -20.7758      1.00000
      8     -20.6272      1.00000
      9     -20.0926      1.00000
     10     -20.0644      1.00000
     11     -19.7209      1.00000
     12     -19.6926      1.00000
     13     -19.0127      1.00000
     14     -18.9821      1.00000
     15     -18.6537      1.00000
     16     -18.6214      1.00000
     17     -18.4627      1.00000
     18     -17.6633      1.00000
     19     -17.6479      1.00000
     20     -17.6133      1.00000
     21     -17.5802      1.00000
     22     -17.1411      1.00000
     23     -17.1011      1.00000
     24     -16.9713      1.00000
     25     -16.0134      1.00000
     26     -15.9267      1.00000
     27     -15.6013      1.00000
     28     -15.5783      1.00000
     29     -15.2830      1.00000
     30     -14.8799      1.00000
     31     -14.8335      1.00000
     32     -14.5771      1.00000
     33     -14.5391      1.00000
     34     -14.1697      1.00000
     35     -14.1644      1.00000
     36     -13.1657      1.00000
     37     -13.0982      1.00000
     38     -13.0252      1.00000
     39     -13.0209      1.00000
     40     -12.7204      1.00000
     41     -12.6969      1.00000
     42     -12.3450      1.00000
     43     -12.3176      1.00000
     44     -11.6377      1.00000
     45     -11.6278      1.00000
     46     -11.5741      1.00000
     47     -10.9467      1.00000
     48     -10.9263      1.00000
     49     -10.6681      1.00000
     50     -10.5924      1.00000
     51     -10.5757      1.00000
     52     -10.5088      1.00000
     53     -10.4908      1.00000
     54     -10.4427      1.00000
     55     -10.3567      1.00000
     56     -10.1048      1.00000
     57      -9.9003      1.00000
     58      -9.6090      1.00000
     59      -9.5517      1.00000
     60      -9.4552      1.00000
     61      -9.4286      1.00000
     62      -9.4097      1.00000
     63      -9.3813      1.00000
     64      -9.3737      1.00000
     65      -9.2700      1.00000
     66      -9.1713      1.00000
     67      -9.1476      1.00000
     68      -9.1207      1.00000
     69      -8.8745      1.00000
     70      -8.8634      1.00000
     71      -8.8049      1.00000
     72      -8.5982      1.00000
     73      -8.5278      1.00000
     74      -8.2000      1.00000
     75      -8.1748      1.00000
     76      -8.0823      1.00000
     77      -7.8605      1.00000
     78      -7.8392      1.00000
     79      -7.8231      1.00000
     80      -7.7153      1.00000
     81      -7.6987      1.00000
     82      -7.6054      1.00000
     83      -7.5277      1.00000
     84      -7.3556      1.00000
     85      -7.1695      1.00000
     86      -6.9130      1.00000
     87      -6.8988      1.00000
     88      -6.5977      1.00000
     89      -6.5534      1.00000
     90      -6.4080      1.00000
     91      -6.3061      1.00000
     92      -6.2515      1.00000
     93      -6.2081      1.00000
     94      -6.0058      1.00000
     95      -5.5339      1.00000
     96      -5.4671      1.00000
     97      -5.3159      1.00000
     98      -5.2122      1.00000
     99      -5.0483      1.00000
    100      -4.7258      1.00000
    101      -4.6727      1.00000
    102      -4.4215      1.00000
    103      -4.1944      1.00000
    104      -3.8390      1.00000
    105      -3.6342      1.00000
    106      -3.4166      1.00000
    107      -2.2964      0.00000
    108      -1.5113      0.00000
    109      -1.2751      0.00000
    110      -1.2684      0.00000
    111      -1.0393      0.00000
    112      -0.9818      0.00000
    113      -0.8732      0.00000
    114      -0.8048      0.00000
    115      -0.2657      0.00000
    116       0.1972      0.00000
    117       0.2330      0.00000
    118       0.3521      0.00000
    119       0.6731      0.00000
    120       0.8876      0.00000
    121       0.9160      0.00000
    122       1.0259      0.00000
    123       1.1488      0.00000
    124       1.4913      0.00000
    125       1.5353      0.00000
    126       1.6914      0.00000
    127       1.7716      0.00000
    128       1.8247      0.00000
    129       1.9466      0.00000
    130       1.9699      0.00000
    131       2.1772      0.00000
    132       2.2350      0.00000
    133       2.3892      0.00000
    134       2.4814      0.00000
    135       2.5388      0.00000
    136       2.5908      0.00000
    137       2.6108      0.00000
    138       2.6796      0.00000
    139       2.7505      0.00000
    140       2.8360      0.00000
    141       3.0154      0.00000
    142       3.0670      0.00000
    143       3.1805      0.00000
    144       3.2444      0.00000
    145       3.2604      0.00000
    146       3.2926      0.00000
    147       3.3505      0.00000
    148       3.4306      0.00000
    149       3.4969      0.00000
    150       3.6746      0.00000
    151       3.7083      0.00000
    152       3.7211      0.00000
    153       3.8124      0.00000
    154       3.8821      0.00000
    155       3.9170      0.00000
    156       3.9663      0.00000
    157       3.9961      0.00000
    158       4.0435      0.00000
    159       4.0520      0.00000
    160       4.0907      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3916      1.00000
      2     -21.8325      1.00000
      3     -21.6439      1.00000
      4     -21.6098      1.00000
      5     -21.2812      1.00000
      6     -21.2350      1.00000
      7     -21.0586      1.00000
      8     -20.1732      1.00000
      9     -20.1280      1.00000
     10     -19.6209      1.00000
     11     -19.5954      1.00000
     12     -19.4169      1.00000
     13     -19.0966      1.00000
     14     -19.0595      1.00000
     15     -19.0553      1.00000
     16     -19.0416      1.00000
     17     -18.3705      1.00000
     18     -18.3512      1.00000
     19     -18.0172      1.00000
     20     -17.0729      1.00000
     21     -17.0248      1.00000
     22     -16.9534      1.00000
     23     -16.9399      1.00000
     24     -16.4813      1.00000
     25     -16.4692      1.00000
     26     -15.6143      1.00000
     27     -15.6139      1.00000
     28     -15.2520      1.00000
     29     -15.2402      1.00000
     30     -15.1915      1.00000
     31     -15.1024      1.00000
     32     -15.0704      1.00000
     33     -14.7037      1.00000
     34     -14.7028      1.00000
     35     -13.7299      1.00000
     36     -13.7298      1.00000
     37     -13.2347      1.00000
     38     -12.6257      1.00000
     39     -12.5829      1.00000
     40     -12.4559      1.00000
     41     -12.4505      1.00000
     42     -12.1091      1.00000
     43     -12.1044      1.00000
     44     -11.7297      1.00000
     45     -11.6917      1.00000
     46     -11.2500      1.00000
     47     -11.2306      1.00000
     48     -11.0180      1.00000
     49     -11.0064      1.00000
     50     -10.9336      1.00000
     51     -10.9054      1.00000
     52     -10.6354      1.00000
     53     -10.1736      1.00000
     54     -10.1512      1.00000
     55     -10.0850      1.00000
     56      -9.9910      1.00000
     57      -9.6983      1.00000
     58      -9.6912      1.00000
     59      -9.6732      1.00000
     60      -9.5989      1.00000
     61      -9.5745      1.00000
     62      -9.5562      1.00000
     63      -9.3133      1.00000
     64      -9.3001      1.00000
     65      -9.2841      1.00000
     66      -9.2544      1.00000
     67      -9.1246      1.00000
     68      -9.1131      1.00000
     69      -9.1116      1.00000
     70      -8.9414      1.00000
     71      -8.8865      1.00000
     72      -8.6122      1.00000
     73      -8.5933      1.00000
     74      -8.2757      1.00000
     75      -8.1000      1.00000
     76      -7.8782      1.00000
     77      -7.8461      1.00000
     78      -7.7940      1.00000
     79      -7.7664      1.00000
     80      -7.7571      1.00000
     81      -7.4429      1.00000
     82      -7.3354      1.00000
     83      -7.3244      1.00000
     84      -7.2696      1.00000
     85      -7.1711      1.00000
     86      -7.0258      1.00000
     87      -6.9886      1.00000
     88      -6.7210      1.00000
     89      -6.6964      1.00000
     90      -6.6337      1.00000
     91      -6.5931      1.00000
     92      -6.1164      1.00000
     93      -6.0655      1.00000
     94      -6.0484      1.00000
     95      -6.0359      1.00000
     96      -5.7494      1.00000
     97      -4.9723      1.00000
     98      -4.8413      1.00000
     99      -4.7113      1.00000
    100      -4.6755      1.00000
    101      -4.4821      1.00000
    102      -4.3497      1.00000
    103      -4.1160      1.00000
    104      -4.0583      1.00000
    105      -3.7535      1.00000
    106      -3.4618      1.00000
    107      -1.9521      0.00000
    108      -1.7764      0.00000
    109      -1.4850      0.00000
    110      -1.3613      0.00000
    111      -1.3413      0.00000
    112      -1.2970      0.00000
    113      -0.6814      0.00000
    114      -0.4750      0.00000
    115      -0.2421      0.00000
    116       0.0444      0.00000
    117       0.5681      0.00000
    118       0.6860      0.00000
    119       0.7614      0.00000
    120       1.0124      0.00000
    121       1.0920      0.00000
    122       1.1665      0.00000
    123       1.2393      0.00000
    124       1.3249      0.00000
    125       1.4129      0.00000
    126       1.5673      0.00000
    127       1.7607      0.00000
    128       1.8292      0.00000
    129       1.8549      0.00000
    130       1.8752      0.00000
    131       2.0351      0.00000
    132       2.1971      0.00000
    133       2.2050      0.00000
    134       2.2592      0.00000
    135       2.4646      0.00000
    136       2.5959      0.00000
    137       2.6513      0.00000
    138       2.7198      0.00000
    139       2.7909      0.00000
    140       2.8285      0.00000
    141       2.8363      0.00000
    142       2.8860      0.00000
    143       2.9518      0.00000
    144       3.0515      0.00000
    145       3.2909      0.00000
    146       3.3506      0.00000
    147       3.4083      0.00000
    148       3.4200      0.00000
    149       3.4232      0.00000
    150       3.5962      0.00000
    151       3.6561      0.00000
    152       3.6675      0.00000
    153       3.7186      0.00000
    154       3.8817      0.00000
    155       3.9042      0.00000
    156       3.9450      0.00000
    157       4.0874      0.00000
    158       4.1866      0.00000
    159       4.2487      0.00000
    160       4.2700      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1218      1.00000
      3     -21.9594      1.00000
      4     -21.4076      1.00000
      5     -21.0480      1.00000
      6     -21.0205      1.00000
      7     -20.4982      1.00000
      8     -20.4691      1.00000
      9     -20.2877      1.00000
     10     -20.2861      1.00000
     11     -19.9602      1.00000
     12     -19.8979      1.00000
     13     -18.8875      1.00000
     14     -18.8209      1.00000
     15     -18.3387      1.00000
     16     -18.3199      1.00000
     17     -18.1521      1.00000
     18     -18.1449      1.00000
     19     -17.8172      1.00000
     20     -17.7995      1.00000
     21     -17.2625      1.00000
     22     -17.2434      1.00000
     23     -17.1599      1.00000
     24     -17.1417      1.00000
     25     -16.1174      1.00000
     26     -15.8847      1.00000
     27     -15.8741      1.00000
     28     -15.8473      1.00000
     29     -15.2321      1.00000
     30     -14.5566      1.00000
     31     -14.5389      1.00000
     32     -14.2778      1.00000
     33     -13.9750      1.00000
     34     -13.9518      1.00000
     35     -13.8277      1.00000
     36     -13.8054      1.00000
     37     -13.6079      1.00000
     38     -13.5829      1.00000
     39     -13.3721      1.00000
     40     -12.6403      1.00000
     41     -12.1737      1.00000
     42     -12.1476      1.00000
     43     -12.0734      1.00000
     44     -12.0272      1.00000
     45     -11.6637      1.00000
     46     -11.6594      1.00000
     47     -11.1431      1.00000
     48     -11.1328      1.00000
     49     -10.7990      1.00000
     50     -10.7436      1.00000
     51     -10.5329      1.00000
     52     -10.2081      1.00000
     53     -10.2024      1.00000
     54     -10.1727      1.00000
     55     -10.0234      1.00000
     56      -9.9966      1.00000
     57      -9.9913      1.00000
     58      -9.8059      1.00000
     59      -9.7963      1.00000
     60      -9.7694      1.00000
     61      -9.7621      1.00000
     62      -9.4653      1.00000
     63      -9.4193      1.00000
     64      -9.0860      1.00000
     65      -9.0471      1.00000
     66      -9.0280      1.00000
     67      -8.9757      1.00000
     68      -8.8996      1.00000
     69      -8.7083      1.00000
     70      -8.6995      1.00000
     71      -8.5701      1.00000
     72      -8.5594      1.00000
     73      -8.4824      1.00000
     74      -8.4635      1.00000
     75      -8.4595      1.00000
     76      -8.3078      1.00000
     77      -8.0960      1.00000
     78      -8.0928      1.00000
     79      -7.9287      1.00000
     80      -7.8367      1.00000
     81      -7.6043      1.00000
     82      -7.5452      1.00000
     83      -7.4574      1.00000
     84      -7.3083      1.00000
     85      -6.9935      1.00000
     86      -6.9202      1.00000
     87      -6.8821      1.00000
     88      -6.5365      1.00000
     89      -6.5210      1.00000
     90      -6.4889      1.00000
     91      -6.4253      1.00000
     92      -5.9279      1.00000
     93      -5.9067      1.00000
     94      -5.7918      1.00000
     95      -5.7778      1.00000
     96      -5.3705      1.00000
     97      -5.3641      1.00000
     98      -5.2220      1.00000
     99      -5.2190      1.00000
    100      -5.2025      1.00000
    101      -4.7221      1.00000
    102      -4.4388      1.00000
    103      -4.1908      1.00000
    104      -3.8158      1.00000
    105      -3.5609      1.00000
    106      -3.2275      1.00000
    107      -2.5655      0.00000
    108      -1.4643      0.00000
    109      -1.2708      0.00000
    110      -1.1908      0.00000
    111      -1.1899      0.00000
    112      -0.6492      0.00000
    113      -0.5574      0.00000
    114      -0.4200      0.00000
    115      -0.3543      0.00000
    116      -0.0829      0.00000
    117      -0.0682      0.00000
    118       0.1210      0.00000
    119       0.5865      0.00000
    120       0.6186      0.00000
    121       0.8365      0.00000
    122       0.9668      0.00000
    123       0.9868      0.00000
    124       1.4762      0.00000
    125       1.6637      0.00000
    126       1.7321      0.00000
    127       1.8311      0.00000
    128       2.0852      0.00000
    129       2.1619      0.00000
    130       2.1847      0.00000
    131       2.2027      0.00000
    132       2.2527      0.00000
    133       2.3516      0.00000
    134       2.4768      0.00000
    135       2.5163      0.00000
    136       2.6426      0.00000
    137       2.8491      0.00000
    138       2.8531      0.00000
    139       2.9359      0.00000
    140       3.0026      0.00000
    141       3.0271      0.00000
    142       3.1172      0.00000
    143       3.2060      0.00000
    144       3.2278      0.00000
    145       3.2440      0.00000
    146       3.2696      0.00000
    147       3.2909      0.00000
    148       3.3389      0.00000
    149       3.3919      0.00000
    150       3.5268      0.00000
    151       3.5456      0.00000
    152       3.6245      0.00000
    153       3.6430      0.00000
    154       3.7151      0.00000
    155       3.7341      0.00000
    156       3.8786      0.00000
    157       3.9484      0.00000
    158       4.0145      0.00000
    159       4.0455      0.00000
    160       4.1557      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2850      1.00000
      2     -22.0809      1.00000
      3     -21.7226      1.00000
      4     -21.6844      1.00000
      5     -20.9848      1.00000
      6     -20.9381      1.00000
      7     -20.6134      1.00000
      8     -20.5809      1.00000
      9     -20.5685      1.00000
     10     -20.0337      1.00000
     11     -19.5172      1.00000
     12     -19.4878      1.00000
     13     -19.3157      1.00000
     14     -19.3029      1.00000
     15     -18.4507      1.00000
     16     -18.4084      1.00000
     17     -17.9312      1.00000
     18     -17.9112      1.00000
     19     -17.7667      1.00000
     20     -17.7226      1.00000
     21     -17.4453      1.00000
     22     -17.4271      1.00000
     23     -17.3380      1.00000
     24     -16.4776      1.00000
     25     -16.4672      1.00000
     26     -15.9712      1.00000
     27     -15.4163      1.00000
     28     -15.4154      1.00000
     29     -15.1013      1.00000
     30     -15.0984      1.00000
     31     -14.8547      1.00000
     32     -14.8427      1.00000
     33     -14.2984      1.00000
     34     -14.2557      1.00000
     35     -13.4450      1.00000
     36     -13.4023      1.00000
     37     -13.1796      1.00000
     38     -13.1784      1.00000
     39     -12.9870      1.00000
     40     -12.9781      1.00000
     41     -12.6150      1.00000
     42     -12.6131      1.00000
     43     -12.1958      1.00000
     44     -11.5872      1.00000
     45     -11.5468      1.00000
     46     -11.3208      1.00000
     47     -11.2908      1.00000
     48     -11.1406      1.00000
     49     -10.6957      1.00000
     50     -10.6698      1.00000
     51     -10.5472      1.00000
     52     -10.3223      1.00000
     53     -10.3146      1.00000
     54     -10.1774      1.00000
     55     -10.1284      1.00000
     56     -10.1144      1.00000
     57      -9.8129      1.00000
     58      -9.7531      1.00000
     59      -9.7527      1.00000
     60      -9.7028      1.00000
     61      -9.6996      1.00000
     62      -9.6494      1.00000
     63      -9.3538      1.00000
     64      -9.3520      1.00000
     65      -9.3294      1.00000
     66      -9.0301      1.00000
     67      -8.9627      1.00000
     68      -8.9581      1.00000
     69      -8.7780      1.00000
     70      -8.6028      1.00000
     71      -8.5888      1.00000
     72      -8.4244      1.00000
     73      -8.3522      1.00000
     74      -8.3269      1.00000
     75      -8.3035      1.00000
     76      -8.2716      1.00000
     77      -8.2608      1.00000
     78      -8.2486      1.00000
     79      -7.9286      1.00000
     80      -7.7396      1.00000
     81      -7.3801      1.00000
     82      -7.3511      1.00000
     83      -7.3173      1.00000
     84      -7.2169      1.00000
     85      -7.1635      1.00000
     86      -7.0730      1.00000
     87      -6.9644      1.00000
     88      -6.9120      1.00000
     89      -6.6243      1.00000
     90      -6.5552      1.00000
     91      -6.2818      1.00000
     92      -5.9979      1.00000
     93      -5.9610      1.00000
     94      -5.6780      1.00000
     95      -5.6514      1.00000
     96      -5.3885      1.00000
     97      -5.3163      1.00000
     98      -5.2956      1.00000
     99      -5.2154      1.00000
    100      -5.2037      1.00000
    101      -4.5069      1.00000
    102      -4.3355      1.00000
    103      -4.0000      1.00000
    104      -3.8891      1.00000
    105      -3.7913      1.00000
    106      -3.4409      1.00000
    107      -2.0358      0.00000
    108      -1.8682      0.00000
    109      -1.2212      0.00000
    110      -1.1874      0.00000
    111      -1.0423      0.00000
    112      -0.7780      0.00000
    113      -0.6827      0.00000
    114      -0.6666      0.00000
    115      -0.6139      0.00000
    116      -0.1076      0.00000
    117       0.2179      0.00000
    118       0.2334      0.00000
    119       0.7503      0.00000
    120       0.9665      0.00000
    121       1.0665      0.00000
    122       1.2305      0.00000
    123       1.2414      0.00000
    124       1.3223      0.00000
    125       1.5633      0.00000
    126       1.5773      0.00000
    127       1.6766      0.00000
    128       1.7793      0.00000
    129       1.9202      0.00000
    130       1.9304      0.00000
    131       2.0962      0.00000
    132       2.3037      0.00000
    133       2.3382      0.00000
    134       2.3966      0.00000
    135       2.5131      0.00000
    136       2.6136      0.00000
    137       2.7815      0.00000
    138       2.8242      0.00000
    139       2.8426      0.00000
    140       2.8604      0.00000
    141       3.0407      0.00000
    142       3.0808      0.00000
    143       3.1243      0.00000
    144       3.2028      0.00000
    145       3.3581      0.00000
    146       3.3996      0.00000
    147       3.4872      0.00000
    148       3.5333      0.00000
    149       3.5777      0.00000
    150       3.6041      0.00000
    151       3.6285      0.00000
    152       3.7189      0.00000
    153       3.7238      0.00000
    154       3.7706      0.00000
    155       3.8298      0.00000
    156       3.8661      0.00000
    157       3.9999      0.00000
    158       4.0684      0.00000
    159       4.1511      0.00000
    160       4.1832      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4284      1.00000
      2     -21.6032      1.00000
      3     -21.4845      1.00000
      4     -21.4756      1.00000
      5     -21.4436      1.00000
      6     -21.4433      1.00000
      7     -21.4324      1.00000
      8     -19.7086      1.00000
      9     -19.6543      1.00000
     10     -19.6334      1.00000
     11     -19.6208      1.00000
     12     -19.6173      1.00000
     13     -19.6149      1.00000
     14     -18.7923      1.00000
     15     -18.7556      1.00000
     16     -18.7392      1.00000
     17     -18.7295      1.00000
     18     -18.7198      1.00000
     19     -18.7171      1.00000
     20     -16.6393      1.00000
     21     -16.6101      1.00000
     22     -16.5881      1.00000
     23     -16.5870      1.00000
     24     -16.5572      1.00000
     25     -16.5561      1.00000
     26     -15.6157      1.00000
     27     -15.6049      1.00000
     28     -15.6016      1.00000
     29     -15.5690      1.00000
     30     -15.5671      1.00000
     31     -15.5644      1.00000
     32     -14.2614      1.00000
     33     -14.2537      1.00000
     34     -14.2458      1.00000
     35     -14.2407      1.00000
     36     -14.2253      1.00000
     37     -14.2215      1.00000
     38     -11.9077      1.00000
     39     -11.8821      1.00000
     40     -11.8715      1.00000
     41     -11.8699      1.00000
     42     -11.8494      1.00000
     43     -11.8493      1.00000
     44     -11.7747      1.00000
     45     -11.7731      1.00000
     46     -11.7365      1.00000
     47     -11.7329      1.00000
     48     -11.7315      1.00000
     49     -11.7230      1.00000
     50     -10.6748      1.00000
     51     -10.3909      1.00000
     52     -10.3872      1.00000
     53     -10.3809      1.00000
     54     -10.3706      1.00000
     55     -10.3602      1.00000
     56     -10.3568      1.00000
     57      -9.9030      1.00000
     58      -9.4515      1.00000
     59      -9.4083      1.00000
     60      -9.3654      1.00000
     61      -9.3644      1.00000
     62      -9.3565      1.00000
     63      -9.1420      1.00000
     64      -9.1326      1.00000
     65      -9.1234      1.00000
     66      -9.0904      1.00000
     67      -9.0749      1.00000
     68      -9.0732      1.00000
     69      -9.0724      1.00000
     70      -9.0709      1.00000
     71      -9.0664      1.00000
     72      -9.0458      1.00000
     73      -9.0315      1.00000
     74      -9.0290      1.00000
     75      -8.1416      1.00000
     76      -7.7360      1.00000
     77      -7.4761      1.00000
     78      -7.4672      1.00000
     79      -7.4616      1.00000
     80      -7.4386      1.00000
     81      -7.4251      1.00000
     82      -7.4118      1.00000
     83      -7.3153      1.00000
     84      -7.2725      1.00000
     85      -7.2609      1.00000
     86      -7.2518      1.00000
     87      -7.1611      1.00000
     88      -7.0500      1.00000
     89      -6.4505      1.00000
     90      -6.4190      1.00000
     91      -6.4037      1.00000
     92      -6.3655      1.00000
     93      -6.3566      1.00000
     94      -6.3434      1.00000
     95      -5.9691      1.00000
     96      -5.9569      1.00000
     97      -4.7997      1.00000
     98      -4.5432      1.00000
     99      -4.4835      1.00000
    100      -4.4757      1.00000
    101      -4.3862      1.00000
    102      -4.3850      1.00000
    103      -4.2700      1.00000
    104      -4.1880      1.00000
    105      -3.7377      1.00000
    106      -3.4732      1.00000
    107      -1.8631      0.00000
    108      -1.6765      0.00000
    109      -1.6287      0.00000
    110      -1.5971      0.00000
    111      -1.5810      0.00000
    112      -1.5806      0.00000
    113      -0.4304      0.00000
    114       0.1397      0.00000
    115       0.1859      0.00000
    116       0.2486      0.00000
    117       0.2647      0.00000
    118       0.2650      0.00000
    119       0.4683      0.00000
    120       0.5289      0.00000
    121       1.2286      0.00000
    122       1.2806      0.00000
    123       1.5013      0.00000
    124       1.7543      0.00000
    125       1.7568      0.00000
    126       1.7574      0.00000
    127       1.8111      0.00000
    128       1.8203      0.00000
    129       1.9517      0.00000
    130       1.9590      0.00000
    131       1.9683      0.00000
    132       1.9829      0.00000
    133       1.9903      0.00000
    134       2.0583      0.00000
    135       2.2206      0.00000
    136       2.3322      0.00000
    137       2.5750      0.00000
    138       2.5789      0.00000
    139       2.5996      0.00000
    140       2.6974      0.00000
    141       2.9220      0.00000
    142       3.0532      0.00000
    143       3.0766      0.00000
    144       3.0974      0.00000
    145       3.1132      0.00000
    146       3.1159      0.00000
    147       3.1209      0.00000
    148       3.2542      0.00000
    149       3.4413      0.00000
    150       3.4904      0.00000
    151       3.8221      0.00000
    152       3.9556      0.00000
    153       3.9557      0.00000
    154       3.9590      0.00000
    155       3.9643      0.00000
    156       3.9908      0.00000
    157       4.1740      0.00000
    158       4.2480      0.00000
    159       4.2566      0.00000
    160       4.2706      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3917      1.00000
      2     -21.8326      1.00000
      3     -21.6401      1.00000
      4     -21.6134      1.00000
      5     -21.2766      1.00000
      6     -21.2384      1.00000
      7     -21.0601      1.00000
      8     -20.1700      1.00000
      9     -20.1330      1.00000
     10     -19.6105      1.00000
     11     -19.5996      1.00000
     12     -19.4209      1.00000
     13     -19.0925      1.00000
     14     -19.0615      1.00000
     15     -19.0528      1.00000
     16     -19.0449      1.00000
     17     -18.3640      1.00000
     18     -18.3542      1.00000
     19     -18.0236      1.00000
     20     -17.0731      1.00000
     21     -17.0352      1.00000
     22     -16.9500      1.00000
     23     -16.9405      1.00000
     24     -16.4714      1.00000
     25     -16.4639      1.00000
     26     -15.6152      1.00000
     27     -15.6102      1.00000
     28     -15.2559      1.00000
     29     -15.2480      1.00000
     30     -15.1893      1.00000
     31     -15.1020      1.00000
     32     -15.0758      1.00000
     33     -14.7022      1.00000
     34     -14.6974      1.00000
     35     -13.7315      1.00000
     36     -13.7244      1.00000
     37     -13.2414      1.00000
     38     -12.6185      1.00000
     39     -12.5889      1.00000
     40     -12.4606      1.00000
     41     -12.4526      1.00000
     42     -12.1149      1.00000
     43     -12.1064      1.00000
     44     -11.7179      1.00000
     45     -11.6871      1.00000
     46     -11.2371      1.00000
     47     -11.2303      1.00000
     48     -11.0246      1.00000
     49     -11.0129      1.00000
     50     -10.9287      1.00000
     51     -10.9071      1.00000
     52     -10.6293      1.00000
     53     -10.1626      1.00000
     54     -10.1521      1.00000
     55     -10.0980      1.00000
     56      -9.9993      1.00000
     57      -9.7047      1.00000
     58      -9.7013      1.00000
     59      -9.6584      1.00000
     60      -9.5956      1.00000
     61      -9.5769      1.00000
     62      -9.5621      1.00000
     63      -9.3172      1.00000
     64      -9.3050      1.00000
     65      -9.2760      1.00000
     66      -9.2365      1.00000
     67      -9.1391      1.00000
     68      -9.1264      1.00000
     69      -9.1112      1.00000
     70      -8.9426      1.00000
     71      -8.8722      1.00000
     72      -8.6084      1.00000
     73      -8.5926      1.00000
     74      -8.2430      1.00000
     75      -8.1078      1.00000
     76      -7.9124      1.00000
     77      -7.8647      1.00000
     78      -7.7794      1.00000
     79      -7.7611      1.00000
     80      -7.7003      1.00000
     81      -7.5571      1.00000
     82      -7.3464      1.00000
     83      -7.3270      1.00000
     84      -7.2082      1.00000
     85      -7.1251      1.00000
     86      -7.0366      1.00000
     87      -7.0135      1.00000
     88      -6.7078      1.00000
     89      -6.6815      1.00000
     90      -6.6452      1.00000
     91      -6.6005      1.00000
     92      -6.1240      1.00000
     93      -6.0648      1.00000
     94      -6.0333      1.00000
     95      -6.0133      1.00000
     96      -5.7870      1.00000
     97      -4.9722      1.00000
     98      -4.8332      1.00000
     99      -4.7499      1.00000
    100      -4.6833      1.00000
    101      -4.4659      1.00000
    102      -4.2031      1.00000
    103      -4.1725      1.00000
    104      -4.1310      1.00000
    105      -3.7283      1.00000
    106      -3.4831      1.00000
    107      -1.8737      0.00000
    108      -1.8147      0.00000
    109      -1.5276      0.00000
    110      -1.3819      0.00000
    111      -1.3271      0.00000
    112      -1.2938      0.00000
    113      -0.7247      0.00000
    114      -0.3807      0.00000
    115      -0.2539      0.00000
    116       0.0304      0.00000
    117       0.5384      0.00000
    118       0.6923      0.00000
    119       0.7384      0.00000
    120       1.0391      0.00000
    121       1.0931      0.00000
    122       1.1376      0.00000
    123       1.2176      0.00000
    124       1.3623      0.00000
    125       1.5015      0.00000
    126       1.5549      0.00000
    127       1.7008      0.00000
    128       1.8124      0.00000
    129       1.8539      0.00000
    130       1.8731      0.00000
    131       2.0801      0.00000
    132       2.1616      0.00000
    133       2.2220      0.00000
    134       2.2818      0.00000
    135       2.4922      0.00000
    136       2.5625      0.00000
    137       2.6525      0.00000
    138       2.7636      0.00000
    139       2.7884      0.00000
    140       2.8212      0.00000
    141       2.8701      0.00000
    142       2.8850      0.00000
    143       2.9461      0.00000
    144       3.0491      0.00000
    145       3.1343      0.00000
    146       3.2963      0.00000
    147       3.3949      0.00000
    148       3.4398      0.00000
    149       3.4580      0.00000
    150       3.6106      0.00000
    151       3.6396      0.00000
    152       3.6708      0.00000
    153       3.7111      0.00000
    154       3.8961      0.00000
    155       3.9423      0.00000
    156       3.9954      0.00000
    157       4.0480      0.00000
    158       4.2295      0.00000
    159       4.2411      0.00000
    160       4.2577      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2855      1.00000
      2     -22.0805      1.00000
      3     -21.7184      1.00000
      4     -21.6878      1.00000
      5     -20.9814      1.00000
      6     -20.9421      1.00000
      7     -20.6140      1.00000
      8     -20.5784      1.00000
      9     -20.5725      1.00000
     10     -20.0361      1.00000
     11     -19.5054      1.00000
     12     -19.4937      1.00000
     13     -19.3094      1.00000
     14     -19.3037      1.00000
     15     -18.4509      1.00000
     16     -18.4153      1.00000
     17     -17.9263      1.00000
     18     -17.9145      1.00000
     19     -17.7653      1.00000
     20     -17.7305      1.00000
     21     -17.4407      1.00000
     22     -17.4298      1.00000
     23     -17.3462      1.00000
     24     -16.4651      1.00000
     25     -16.4631      1.00000
     26     -15.9710      1.00000
     27     -15.4151      1.00000
     28     -15.4119      1.00000
     29     -15.0982      1.00000
     30     -15.0957      1.00000
     31     -14.8597      1.00000
     32     -14.8522      1.00000
     33     -14.2947      1.00000
     34     -14.2625      1.00000
     35     -13.4413      1.00000
     36     -13.4093      1.00000
     37     -13.1829      1.00000
     38     -13.1746      1.00000
     39     -12.9857      1.00000
     40     -12.9801      1.00000
     41     -12.6193      1.00000
     42     -12.6103      1.00000
     43     -12.2038      1.00000
     44     -11.5773      1.00000
     45     -11.5436      1.00000
     46     -11.3119      1.00000
     47     -11.2889      1.00000
     48     -11.1483      1.00000
     49     -10.6768      1.00000
     50     -10.6643      1.00000
     51     -10.5516      1.00000
     52     -10.3329      1.00000
     53     -10.3189      1.00000
     54     -10.1726      1.00000
     55     -10.1207      1.00000
     56     -10.1120      1.00000
     57      -9.7994      1.00000
     58      -9.7745      1.00000
     59      -9.7524      1.00000
     60      -9.7082      1.00000
     61      -9.7000      1.00000
     62      -9.6640      1.00000
     63      -9.3650      1.00000
     64      -9.3511      1.00000
     65      -9.3156      1.00000
     66      -9.0425      1.00000
     67      -8.9709      1.00000
     68      -8.9516      1.00000
     69      -8.8014      1.00000
     70      -8.5946      1.00000
     71      -8.5610      1.00000
     72      -8.4001      1.00000
     73      -8.3683      1.00000
     74      -8.3289      1.00000
     75      -8.3110      1.00000
     76      -8.2651      1.00000
     77      -8.2586      1.00000
     78      -8.2375      1.00000
     79      -7.9126      1.00000
     80      -7.6562      1.00000
     81      -7.5470      1.00000
     82      -7.3922      1.00000
     83      -7.3551      1.00000
     84      -7.2385      1.00000
     85      -7.1014      1.00000
     86      -7.0406      1.00000
     87      -6.9381      1.00000
     88      -6.8499      1.00000
     89      -6.6138      1.00000
     90      -6.5666      1.00000
     91      -6.2712      1.00000
     92      -6.0461      1.00000
     93      -5.9552      1.00000
     94      -5.6663      1.00000
     95      -5.6242      1.00000
     96      -5.4643      1.00000
     97      -5.3237      1.00000
     98      -5.2822      1.00000
     99      -5.2186      1.00000
    100      -5.1958      1.00000
    101      -4.5029      1.00000
    102      -4.2065      1.00000
    103      -4.0581      1.00000
    104      -3.9918      1.00000
    105      -3.6941      1.00000
    106      -3.4932      1.00000
    107      -1.9504      0.00000
    108      -1.9028      0.00000
    109      -1.3406      0.00000
    110      -1.0904      0.00000
    111      -1.0625      0.00000
    112      -0.8053      0.00000
    113      -0.6812      0.00000
    114      -0.6528      0.00000
    115      -0.6130      0.00000
    116      -0.1136      0.00000
    117       0.2091      0.00000
    118       0.3218      0.00000
    119       0.6771      0.00000
    120       0.8700      0.00000
    121       1.1172      0.00000
    122       1.1914      0.00000
    123       1.3112      0.00000
    124       1.4010      0.00000
    125       1.5443      0.00000
    126       1.5674      0.00000
    127       1.6571      0.00000
    128       1.7955      0.00000
    129       1.8572      0.00000
    130       2.0329      0.00000
    131       2.1300      0.00000
    132       2.3258      0.00000
    133       2.3580      0.00000
    134       2.3734      0.00000
    135       2.5170      0.00000
    136       2.6164      0.00000
    137       2.7101      0.00000
    138       2.7717      0.00000
    139       2.8400      0.00000
    140       2.8740      0.00000
    141       3.0320      0.00000
    142       3.0475      0.00000
    143       3.1396      0.00000
    144       3.2452      0.00000
    145       3.3387      0.00000
    146       3.3966      0.00000
    147       3.4118      0.00000
    148       3.5604      0.00000
    149       3.5755      0.00000
    150       3.5881      0.00000
    151       3.6458      0.00000
    152       3.6557      0.00000
    153       3.7612      0.00000
    154       3.7909      0.00000
    155       3.8177      0.00000
    156       3.8812      0.00000
    157       3.9006      0.00000
    158       3.9742      0.00000
    159       4.1915      0.00000
    160       4.2139      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3196      1.00000
      2     -21.9648      1.00000
      3     -21.8967      1.00000
      4     -21.3826      1.00000
      5     -21.3542      1.00000
      6     -20.8426      1.00000
      7     -20.7782      1.00000
      8     -20.6278      1.00000
      9     -20.0793      1.00000
     10     -20.0738      1.00000
     11     -19.7198      1.00000
     12     -19.6961      1.00000
     13     -18.9988      1.00000
     14     -18.9933      1.00000
     15     -18.6415      1.00000
     16     -18.6258      1.00000
     17     -18.4675      1.00000
     18     -17.6799      1.00000
     19     -17.6305      1.00000
     20     -17.6276      1.00000
     21     -17.5863      1.00000
     22     -17.1287      1.00000
     23     -17.1077      1.00000
     24     -16.9619      1.00000
     25     -16.0023      1.00000
     26     -15.9307      1.00000
     27     -15.5897      1.00000
     28     -15.5896      1.00000
     29     -15.2909      1.00000
     30     -14.8670      1.00000
     31     -14.8401      1.00000
     32     -14.5851      1.00000
     33     -14.5439      1.00000
     34     -14.1686      1.00000
     35     -14.1550      1.00000
     36     -13.1511      1.00000
     37     -13.1061      1.00000
     38     -13.0364      1.00000
     39     -13.0270      1.00000
     40     -12.7152      1.00000
     41     -12.7114      1.00000
     42     -12.3425      1.00000
     43     -12.3115      1.00000
     44     -11.6354      1.00000
     45     -11.6224      1.00000
     46     -11.5739      1.00000
     47     -10.9503      1.00000
     48     -10.9175      1.00000
     49     -10.6347      1.00000
     50     -10.6306      1.00000
     51     -10.5495      1.00000
     52     -10.5001      1.00000
     53     -10.4993      1.00000
     54     -10.4451      1.00000
     55     -10.3706      1.00000
     56     -10.1006      1.00000
     57      -9.9061      1.00000
     58      -9.6188      1.00000
     59      -9.5673      1.00000
     60      -9.4543      1.00000
     61      -9.4132      1.00000
     62      -9.4078      1.00000
     63      -9.3860      1.00000
     64      -9.3840      1.00000
     65      -9.2887      1.00000
     66      -9.1682      1.00000
     67      -9.1431      1.00000
     68      -9.1165      1.00000
     69      -8.8643      1.00000
     70      -8.8573      1.00000
     71      -8.8184      1.00000
     72      -8.6002      1.00000
     73      -8.4834      1.00000
     74      -8.2003      1.00000
     75      -8.1644      1.00000
     76      -8.0168      1.00000
     77      -7.9599      1.00000
     78      -7.8595      1.00000
     79      -7.8495      1.00000
     80      -7.7117      1.00000
     81      -7.7029      1.00000
     82      -7.6282      1.00000
     83      -7.4491      1.00000
     84      -7.3096      1.00000
     85      -7.2520      1.00000
     86      -6.9089      1.00000
     87      -6.8947      1.00000
     88      -6.5921      1.00000
     89      -6.5538      1.00000
     90      -6.4166      1.00000
     91      -6.2550      1.00000
     92      -6.2347      1.00000
     93      -6.2044      1.00000
     94      -6.0272      1.00000
     95      -5.5529      1.00000
     96      -5.4925      1.00000
     97      -5.3530      1.00000
     98      -5.2247      1.00000
     99      -4.9809      1.00000
    100      -4.7315      1.00000
    101      -4.6797      1.00000
    102      -4.3868      1.00000
    103      -4.2019      1.00000
    104      -3.8672      1.00000
    105      -3.5486      1.00000
    106      -3.5044      1.00000
    107      -2.2624      0.00000
    108      -1.4574      0.00000
    109      -1.3761      0.00000
    110      -1.2471      0.00000
    111      -1.1025      0.00000
    112      -0.9513      0.00000
    113      -0.8696      0.00000
    114      -0.8092      0.00000
    115      -0.1443      0.00000
    116       0.1060      0.00000
    117       0.2377      0.00000
    118       0.3711      0.00000
    119       0.6341      0.00000
    120       0.8273      0.00000
    121       0.9291      0.00000
    122       1.0476      0.00000
    123       1.2153      0.00000
    124       1.4288      0.00000
    125       1.5258      0.00000
    126       1.7581      0.00000
    127       1.7820      0.00000
    128       1.8619      0.00000
    129       1.9408      0.00000
    130       2.0329      0.00000
    131       2.1506      0.00000
    132       2.1854      0.00000
    133       2.3898      0.00000
    134       2.4755      0.00000
    135       2.5377      0.00000
    136       2.5990      0.00000
    137       2.6350      0.00000
    138       2.6761      0.00000
    139       2.7693      0.00000
    140       2.8099      0.00000
    141       2.9270      0.00000
    142       3.0678      0.00000
    143       3.1747      0.00000
    144       3.2190      0.00000
    145       3.2590      0.00000
    146       3.3175      0.00000
    147       3.3294      0.00000
    148       3.4493      0.00000
    149       3.4717      0.00000
    150       3.6827      0.00000
    151       3.6888      0.00000
    152       3.7080      0.00000
    153       3.8409      0.00000
    154       3.8980      0.00000
    155       3.9324      0.00000
    156       3.9682      0.00000
    157       4.0168      0.00000
    158       4.0217      0.00000
    159       4.0417      0.00000
    160       4.0730      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2120      1.00000
      2     -22.1205      1.00000
      3     -21.9594      1.00000
      4     -21.4067      1.00000
      5     -21.0521      1.00000
      6     -21.0171      1.00000
      7     -20.5029      1.00000
      8     -20.4644      1.00000
      9     -20.2983      1.00000
     10     -20.2793      1.00000
     11     -19.9597      1.00000
     12     -19.8944      1.00000
     13     -18.8844      1.00000
     14     -18.8162      1.00000
     15     -18.3563      1.00000
     16     -18.3110      1.00000
     17     -18.1567      1.00000
     18     -18.1388      1.00000
     19     -17.8307      1.00000
     20     -17.7933      1.00000
     21     -17.2567      1.00000
     22     -17.2424      1.00000
     23     -17.1705      1.00000
     24     -17.1350      1.00000
     25     -16.1138      1.00000
     26     -15.8871      1.00000
     27     -15.8729      1.00000
     28     -15.8366      1.00000
     29     -15.2416      1.00000
     30     -14.5567      1.00000
     31     -14.5297      1.00000
     32     -14.2851      1.00000
     33     -13.9696      1.00000
     34     -13.9607      1.00000
     35     -13.8256      1.00000
     36     -13.8082      1.00000
     37     -13.6183      1.00000
     38     -13.5743      1.00000
     39     -13.3732      1.00000
     40     -12.6383      1.00000
     41     -12.1842      1.00000
     42     -12.1362      1.00000
     43     -12.0740      1.00000
     44     -12.0218      1.00000
     45     -11.6759      1.00000
     46     -11.6625      1.00000
     47     -11.1414      1.00000
     48     -11.1208      1.00000
     49     -10.7956      1.00000
     50     -10.7318      1.00000
     51     -10.5258      1.00000
     52     -10.2188      1.00000
     53     -10.2067      1.00000
     54     -10.1672      1.00000
     55     -10.0243      1.00000
     56     -10.0074      1.00000
     57      -9.9933      1.00000
     58      -9.8102      1.00000
     59      -9.8004      1.00000
     60      -9.7669      1.00000
     61      -9.7610      1.00000
     62      -9.4551      1.00000
     63      -9.4184      1.00000
     64      -9.0817      1.00000
     65      -9.0797      1.00000
     66      -9.0449      1.00000
     67      -8.9582      1.00000
     68      -8.8797      1.00000
     69      -8.7192      1.00000
     70      -8.7047      1.00000
     71      -8.5670      1.00000
     72      -8.5443      1.00000
     73      -8.5014      1.00000
     74      -8.4699      1.00000
     75      -8.4561      1.00000
     76      -8.2618      1.00000
     77      -8.1290      1.00000
     78      -8.0458      1.00000
     79      -7.9214      1.00000
     80      -7.8655      1.00000
     81      -7.6196      1.00000
     82      -7.5510      1.00000
     83      -7.4991      1.00000
     84      -7.2664      1.00000
     85      -7.0020      1.00000
     86      -6.9303      1.00000
     87      -6.8892      1.00000
     88      -6.5350      1.00000
     89      -6.4888      1.00000
     90      -6.4642      1.00000
     91      -6.4125      1.00000
     92      -5.9862      1.00000
     93      -5.9005      1.00000
     94      -5.7890      1.00000
     95      -5.7615      1.00000
     96      -5.4337      1.00000
     97      -5.3319      1.00000
     98      -5.2345      1.00000
     99      -5.2220      1.00000
    100      -5.1901      1.00000
    101      -4.6917      1.00000
    102      -4.4193      1.00000
    103      -4.2082      1.00000
    104      -3.8296      1.00000
    105      -3.5236      1.00000
    106      -3.2778      1.00000
    107      -2.5369      0.00000
    108      -1.4594      0.00000
    109      -1.2724      0.00000
    110      -1.2082      0.00000
    111      -1.1771      0.00000
    112      -0.7236      0.00000
    113      -0.5093      0.00000
    114      -0.4172      0.00000
    115      -0.3437      0.00000
    116      -0.1517      0.00000
    117      -0.0094      0.00000
    118       0.1865      0.00000
    119       0.5546      0.00000
    120       0.6058      0.00000
    121       0.7811      0.00000
    122       0.8875      0.00000
    123       1.1135      0.00000
    124       1.4688      0.00000
    125       1.6163      0.00000
    126       1.8185      0.00000
    127       1.9064      0.00000
    128       2.0835      0.00000
    129       2.0945      0.00000
    130       2.1670      0.00000
    131       2.1918      0.00000
    132       2.2728      0.00000
    133       2.3400      0.00000
    134       2.4686      0.00000
    135       2.5717      0.00000
    136       2.6393      0.00000
    137       2.8345      0.00000
    138       2.8614      0.00000
    139       2.8788      0.00000
    140       3.0133      0.00000
    141       3.0178      0.00000
    142       3.1205      0.00000
    143       3.1922      0.00000
    144       3.2278      0.00000
    145       3.2645      0.00000
    146       3.2672      0.00000
    147       3.2907      0.00000
    148       3.3311      0.00000
    149       3.4007      0.00000
    150       3.4201      0.00000
    151       3.5241      0.00000
    152       3.6070      0.00000
    153       3.7199      0.00000
    154       3.7349      0.00000
    155       3.7475      0.00000
    156       3.8790      0.00000
    157       3.9274      0.00000
    158       3.9872      0.00000
    159       4.0988      0.00000
    160       4.1969      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3194      1.00000
      2     -21.9664      1.00000
      3     -21.8951      1.00000
      4     -21.3870      1.00000
      5     -21.3515      1.00000
      6     -20.8416      1.00000
      7     -20.7758      1.00000
      8     -20.6272      1.00000
      9     -20.0926      1.00000
     10     -20.0644      1.00000
     11     -19.7209      1.00000
     12     -19.6926      1.00000
     13     -19.0127      1.00000
     14     -18.9821      1.00000
     15     -18.6537      1.00000
     16     -18.6214      1.00000
     17     -18.4627      1.00000
     18     -17.6633      1.00000
     19     -17.6479      1.00000
     20     -17.6133      1.00000
     21     -17.5802      1.00000
     22     -17.1411      1.00000
     23     -17.1011      1.00000
     24     -16.9713      1.00000
     25     -16.0134      1.00000
     26     -15.9267      1.00000
     27     -15.6013      1.00000
     28     -15.5783      1.00000
     29     -15.2830      1.00000
     30     -14.8799      1.00000
     31     -14.8335      1.00000
     32     -14.5771      1.00000
     33     -14.5391      1.00000
     34     -14.1697      1.00000
     35     -14.1644      1.00000
     36     -13.1657      1.00000
     37     -13.0982      1.00000
     38     -13.0252      1.00000
     39     -13.0209      1.00000
     40     -12.7204      1.00000
     41     -12.6969      1.00000
     42     -12.3450      1.00000
     43     -12.3176      1.00000
     44     -11.6377      1.00000
     45     -11.6278      1.00000
     46     -11.5741      1.00000
     47     -10.9467      1.00000
     48     -10.9263      1.00000
     49     -10.6681      1.00000
     50     -10.5924      1.00000
     51     -10.5757      1.00000
     52     -10.5088      1.00000
     53     -10.4908      1.00000
     54     -10.4427      1.00000
     55     -10.3567      1.00000
     56     -10.1048      1.00000
     57      -9.9003      1.00000
     58      -9.6090      1.00000
     59      -9.5517      1.00000
     60      -9.4552      1.00000
     61      -9.4286      1.00000
     62      -9.4097      1.00000
     63      -9.3813      1.00000
     64      -9.3737      1.00000
     65      -9.2700      1.00000
     66      -9.1713      1.00000
     67      -9.1476      1.00000
     68      -9.1207      1.00000
     69      -8.8745      1.00000
     70      -8.8634      1.00000
     71      -8.8049      1.00000
     72      -8.5982      1.00000
     73      -8.5278      1.00000
     74      -8.2000      1.00000
     75      -8.1748      1.00000
     76      -8.0823      1.00000
     77      -7.8605      1.00000
     78      -7.8392      1.00000
     79      -7.8231      1.00000
     80      -7.7153      1.00000
     81      -7.6987      1.00000
     82      -7.6054      1.00000
     83      -7.5277      1.00000
     84      -7.3556      1.00000
     85      -7.1695      1.00000
     86      -6.9130      1.00000
     87      -6.8988      1.00000
     88      -6.5977      1.00000
     89      -6.5534      1.00000
     90      -6.4080      1.00000
     91      -6.3061      1.00000
     92      -6.2515      1.00000
     93      -6.2081      1.00000
     94      -6.0058      1.00000
     95      -5.5339      1.00000
     96      -5.4671      1.00000
     97      -5.3159      1.00000
     98      -5.2122      1.00000
     99      -5.0483      1.00000
    100      -4.7258      1.00000
    101      -4.6727      1.00000
    102      -4.4215      1.00000
    103      -4.1944      1.00000
    104      -3.8390      1.00000
    105      -3.6342      1.00000
    106      -3.4166      1.00000
    107      -2.2964      0.00000
    108      -1.5113      0.00000
    109      -1.2751      0.00000
    110      -1.2684      0.00000
    111      -1.0393      0.00000
    112      -0.9818      0.00000
    113      -0.8732      0.00000
    114      -0.8048      0.00000
    115      -0.2657      0.00000
    116       0.1972      0.00000
    117       0.2330      0.00000
    118       0.3521      0.00000
    119       0.6731      0.00000
    120       0.8876      0.00000
    121       0.9160      0.00000
    122       1.0259      0.00000
    123       1.1488      0.00000
    124       1.4912      0.00000
    125       1.5353      0.00000
    126       1.6914      0.00000
    127       1.7716      0.00000
    128       1.8247      0.00000
    129       1.9466      0.00000
    130       1.9699      0.00000
    131       2.1772      0.00000
    132       2.2350      0.00000
    133       2.3892      0.00000
    134       2.4814      0.00000
    135       2.5388      0.00000
    136       2.5908      0.00000
    137       2.6108      0.00000
    138       2.6796      0.00000
    139       2.7505      0.00000
    140       2.8360      0.00000
    141       3.0154      0.00000
    142       3.0670      0.00000
    143       3.1805      0.00000
    144       3.2444      0.00000
    145       3.2604      0.00000
    146       3.2926      0.00000
    147       3.3505      0.00000
    148       3.4306      0.00000
    149       3.4969      0.00000
    150       3.6746      0.00000
    151       3.7083      0.00000
    152       3.7211      0.00000
    153       3.8124      0.00000
    154       3.8821      0.00000
    155       3.9170      0.00000
    156       3.9663      0.00000
    157       3.9961      0.00000
    158       4.0435      0.00000
    159       4.0520      0.00000
    160       4.0907      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3916      1.00000
      2     -21.8325      1.00000
      3     -21.6439      1.00000
      4     -21.6098      1.00000
      5     -21.2812      1.00000
      6     -21.2350      1.00000
      7     -21.0586      1.00000
      8     -20.1732      1.00000
      9     -20.1280      1.00000
     10     -19.6209      1.00000
     11     -19.5954      1.00000
     12     -19.4169      1.00000
     13     -19.0966      1.00000
     14     -19.0595      1.00000
     15     -19.0553      1.00000
     16     -19.0416      1.00000
     17     -18.3705      1.00000
     18     -18.3512      1.00000
     19     -18.0172      1.00000
     20     -17.0729      1.00000
     21     -17.0248      1.00000
     22     -16.9534      1.00000
     23     -16.9399      1.00000
     24     -16.4813      1.00000
     25     -16.4692      1.00000
     26     -15.6143      1.00000
     27     -15.6139      1.00000
     28     -15.2520      1.00000
     29     -15.2402      1.00000
     30     -15.1915      1.00000
     31     -15.1024      1.00000
     32     -15.0704      1.00000
     33     -14.7037      1.00000
     34     -14.7028      1.00000
     35     -13.7299      1.00000
     36     -13.7298      1.00000
     37     -13.2347      1.00000
     38     -12.6257      1.00000
     39     -12.5829      1.00000
     40     -12.4559      1.00000
     41     -12.4505      1.00000
     42     -12.1091      1.00000
     43     -12.1044      1.00000
     44     -11.7297      1.00000
     45     -11.6917      1.00000
     46     -11.2500      1.00000
     47     -11.2306      1.00000
     48     -11.0180      1.00000
     49     -11.0064      1.00000
     50     -10.9336      1.00000
     51     -10.9054      1.00000
     52     -10.6354      1.00000
     53     -10.1736      1.00000
     54     -10.1512      1.00000
     55     -10.0850      1.00000
     56      -9.9910      1.00000
     57      -9.6983      1.00000
     58      -9.6912      1.00000
     59      -9.6732      1.00000
     60      -9.5989      1.00000
     61      -9.5745      1.00000
     62      -9.5562      1.00000
     63      -9.3133      1.00000
     64      -9.3001      1.00000
     65      -9.2841      1.00000
     66      -9.2544      1.00000
     67      -9.1246      1.00000
     68      -9.1131      1.00000
     69      -9.1116      1.00000
     70      -8.9414      1.00000
     71      -8.8865      1.00000
     72      -8.6122      1.00000
     73      -8.5933      1.00000
     74      -8.2757      1.00000
     75      -8.1000      1.00000
     76      -7.8782      1.00000
     77      -7.8461      1.00000
     78      -7.7940      1.00000
     79      -7.7664      1.00000
     80      -7.7571      1.00000
     81      -7.4429      1.00000
     82      -7.3354      1.00000
     83      -7.3244      1.00000
     84      -7.2696      1.00000
     85      -7.1711      1.00000
     86      -7.0258      1.00000
     87      -6.9886      1.00000
     88      -6.7210      1.00000
     89      -6.6964      1.00000
     90      -6.6337      1.00000
     91      -6.5931      1.00000
     92      -6.1164      1.00000
     93      -6.0655      1.00000
     94      -6.0484      1.00000
     95      -6.0359      1.00000
     96      -5.7494      1.00000
     97      -4.9723      1.00000
     98      -4.8413      1.00000
     99      -4.7113      1.00000
    100      -4.6755      1.00000
    101      -4.4821      1.00000
    102      -4.3497      1.00000
    103      -4.1159      1.00000
    104      -4.0583      1.00000
    105      -3.7535      1.00000
    106      -3.4618      1.00000
    107      -1.9521      0.00000
    108      -1.7764      0.00000
    109      -1.4850      0.00000
    110      -1.3613      0.00000
    111      -1.3413      0.00000
    112      -1.2970      0.00000
    113      -0.6814      0.00000
    114      -0.4750      0.00000
    115      -0.2421      0.00000
    116       0.0444      0.00000
    117       0.5681      0.00000
    118       0.6860      0.00000
    119       0.7614      0.00000
    120       1.0124      0.00000
    121       1.0920      0.00000
    122       1.1665      0.00000
    123       1.2393      0.00000
    124       1.3249      0.00000
    125       1.4129      0.00000
    126       1.5673      0.00000
    127       1.7607      0.00000
    128       1.8292      0.00000
    129       1.8549      0.00000
    130       1.8752      0.00000
    131       2.0351      0.00000
    132       2.1971      0.00000
    133       2.2050      0.00000
    134       2.2592      0.00000
    135       2.4646      0.00000
    136       2.5959      0.00000
    137       2.6513      0.00000
    138       2.7198      0.00000
    139       2.7909      0.00000
    140       2.8285      0.00000
    141       2.8363      0.00000
    142       2.8860      0.00000
    143       2.9518      0.00000
    144       3.0515      0.00000
    145       3.2909      0.00000
    146       3.3506      0.00000
    147       3.4083      0.00000
    148       3.4200      0.00000
    149       3.4232      0.00000
    150       3.5962      0.00000
    151       3.6561      0.00000
    152       3.6675      0.00000
    153       3.7186      0.00000
    154       3.8817      0.00000
    155       3.9042      0.00000
    156       3.9450      0.00000
    157       4.0874      0.00000
    158       4.1866      0.00000
    159       4.2487      0.00000
    160       4.2700      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1218      1.00000
      3     -21.9594      1.00000
      4     -21.4076      1.00000
      5     -21.0480      1.00000
      6     -21.0205      1.00000
      7     -20.4982      1.00000
      8     -20.4691      1.00000
      9     -20.2877      1.00000
     10     -20.2861      1.00000
     11     -19.9602      1.00000
     12     -19.8979      1.00000
     13     -18.8875      1.00000
     14     -18.8209      1.00000
     15     -18.3387      1.00000
     16     -18.3199      1.00000
     17     -18.1521      1.00000
     18     -18.1449      1.00000
     19     -17.8172      1.00000
     20     -17.7995      1.00000
     21     -17.2625      1.00000
     22     -17.2434      1.00000
     23     -17.1599      1.00000
     24     -17.1417      1.00000
     25     -16.1174      1.00000
     26     -15.8847      1.00000
     27     -15.8741      1.00000
     28     -15.8473      1.00000
     29     -15.2321      1.00000
     30     -14.5566      1.00000
     31     -14.5389      1.00000
     32     -14.2778      1.00000
     33     -13.9750      1.00000
     34     -13.9518      1.00000
     35     -13.8277      1.00000
     36     -13.8054      1.00000
     37     -13.6079      1.00000
     38     -13.5829      1.00000
     39     -13.3721      1.00000
     40     -12.6403      1.00000
     41     -12.1737      1.00000
     42     -12.1476      1.00000
     43     -12.0734      1.00000
     44     -12.0272      1.00000
     45     -11.6637      1.00000
     46     -11.6594      1.00000
     47     -11.1431      1.00000
     48     -11.1328      1.00000
     49     -10.7990      1.00000
     50     -10.7436      1.00000
     51     -10.5329      1.00000
     52     -10.2081      1.00000
     53     -10.2024      1.00000
     54     -10.1727      1.00000
     55     -10.0234      1.00000
     56      -9.9966      1.00000
     57      -9.9913      1.00000
     58      -9.8059      1.00000
     59      -9.7963      1.00000
     60      -9.7694      1.00000
     61      -9.7621      1.00000
     62      -9.4653      1.00000
     63      -9.4193      1.00000
     64      -9.0860      1.00000
     65      -9.0471      1.00000
     66      -9.0280      1.00000
     67      -8.9757      1.00000
     68      -8.8996      1.00000
     69      -8.7083      1.00000
     70      -8.6995      1.00000
     71      -8.5701      1.00000
     72      -8.5594      1.00000
     73      -8.4824      1.00000
     74      -8.4635      1.00000
     75      -8.4595      1.00000
     76      -8.3078      1.00000
     77      -8.0960      1.00000
     78      -8.0928      1.00000
     79      -7.9287      1.00000
     80      -7.8367      1.00000
     81      -7.6043      1.00000
     82      -7.5452      1.00000
     83      -7.4574      1.00000
     84      -7.3083      1.00000
     85      -6.9935      1.00000
     86      -6.9202      1.00000
     87      -6.8821      1.00000
     88      -6.5365      1.00000
     89      -6.5210      1.00000
     90      -6.4889      1.00000
     91      -6.4253      1.00000
     92      -5.9279      1.00000
     93      -5.9067      1.00000
     94      -5.7918      1.00000
     95      -5.7778      1.00000
     96      -5.3705      1.00000
     97      -5.3641      1.00000
     98      -5.2220      1.00000
     99      -5.2190      1.00000
    100      -5.2025      1.00000
    101      -4.7221      1.00000
    102      -4.4388      1.00000
    103      -4.1908      1.00000
    104      -3.8158      1.00000
    105      -3.5609      1.00000
    106      -3.2275      1.00000
    107      -2.5655      0.00000
    108      -1.4643      0.00000
    109      -1.2708      0.00000
    110      -1.1908      0.00000
    111      -1.1899      0.00000
    112      -0.6492      0.00000
    113      -0.5574      0.00000
    114      -0.4200      0.00000
    115      -0.3543      0.00000
    116      -0.0829      0.00000
    117      -0.0682      0.00000
    118       0.1210      0.00000
    119       0.5865      0.00000
    120       0.6186      0.00000
    121       0.8365      0.00000
    122       0.9668      0.00000
    123       0.9868      0.00000
    124       1.4762      0.00000
    125       1.6637      0.00000
    126       1.7321      0.00000
    127       1.8311      0.00000
    128       2.0852      0.00000
    129       2.1619      0.00000
    130       2.1847      0.00000
    131       2.2027      0.00000
    132       2.2527      0.00000
    133       2.3516      0.00000
    134       2.4768      0.00000
    135       2.5163      0.00000
    136       2.6426      0.00000
    137       2.8491      0.00000
    138       2.8531      0.00000
    139       2.9359      0.00000
    140       3.0026      0.00000
    141       3.0271      0.00000
    142       3.1172      0.00000
    143       3.2060      0.00000
    144       3.2278      0.00000
    145       3.2440      0.00000
    146       3.2696      0.00000
    147       3.2909      0.00000
    148       3.3389      0.00000
    149       3.3919      0.00000
    150       3.5268      0.00000
    151       3.5456      0.00000
    152       3.6245      0.00000
    153       3.6430      0.00000
    154       3.7151      0.00000
    155       3.7341      0.00000
    156       3.8786      0.00000
    157       3.9484      0.00000
    158       4.0145      0.00000
    159       4.0455      0.00000
    160       4.1557      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2850      1.00000
      2     -22.0809      1.00000
      3     -21.7226      1.00000
      4     -21.6844      1.00000
      5     -20.9848      1.00000
      6     -20.9381      1.00000
      7     -20.6134      1.00000
      8     -20.5809      1.00000
      9     -20.5685      1.00000
     10     -20.0337      1.00000
     11     -19.5172      1.00000
     12     -19.4878      1.00000
     13     -19.3157      1.00000
     14     -19.3029      1.00000
     15     -18.4507      1.00000
     16     -18.4084      1.00000
     17     -17.9312      1.00000
     18     -17.9112      1.00000
     19     -17.7667      1.00000
     20     -17.7226      1.00000
     21     -17.4453      1.00000
     22     -17.4271      1.00000
     23     -17.3380      1.00000
     24     -16.4776      1.00000
     25     -16.4672      1.00000
     26     -15.9712      1.00000
     27     -15.4163      1.00000
     28     -15.4154      1.00000
     29     -15.1013      1.00000
     30     -15.0984      1.00000
     31     -14.8547      1.00000
     32     -14.8427      1.00000
     33     -14.2984      1.00000
     34     -14.2557      1.00000
     35     -13.4450      1.00000
     36     -13.4023      1.00000
     37     -13.1796      1.00000
     38     -13.1784      1.00000
     39     -12.9870      1.00000
     40     -12.9781      1.00000
     41     -12.6150      1.00000
     42     -12.6131      1.00000
     43     -12.1958      1.00000
     44     -11.5872      1.00000
     45     -11.5468      1.00000
     46     -11.3208      1.00000
     47     -11.2908      1.00000
     48     -11.1406      1.00000
     49     -10.6957      1.00000
     50     -10.6698      1.00000
     51     -10.5472      1.00000
     52     -10.3223      1.00000
     53     -10.3146      1.00000
     54     -10.1774      1.00000
     55     -10.1284      1.00000
     56     -10.1144      1.00000
     57      -9.8129      1.00000
     58      -9.7531      1.00000
     59      -9.7527      1.00000
     60      -9.7028      1.00000
     61      -9.6996      1.00000
     62      -9.6494      1.00000
     63      -9.3538      1.00000
     64      -9.3520      1.00000
     65      -9.3294      1.00000
     66      -9.0301      1.00000
     67      -8.9627      1.00000
     68      -8.9581      1.00000
     69      -8.7780      1.00000
     70      -8.6028      1.00000
     71      -8.5888      1.00000
     72      -8.4244      1.00000
     73      -8.3522      1.00000
     74      -8.3269      1.00000
     75      -8.3035      1.00000
     76      -8.2716      1.00000
     77      -8.2608      1.00000
     78      -8.2486      1.00000
     79      -7.9286      1.00000
     80      -7.7396      1.00000
     81      -7.3801      1.00000
     82      -7.3511      1.00000
     83      -7.3173      1.00000
     84      -7.2169      1.00000
     85      -7.1635      1.00000
     86      -7.0730      1.00000
     87      -6.9644      1.00000
     88      -6.9120      1.00000
     89      -6.6243      1.00000
     90      -6.5552      1.00000
     91      -6.2818      1.00000
     92      -5.9979      1.00000
     93      -5.9610      1.00000
     94      -5.6780      1.00000
     95      -5.6514      1.00000
     96      -5.3885      1.00000
     97      -5.3163      1.00000
     98      -5.2956      1.00000
     99      -5.2154      1.00000
    100      -5.2037      1.00000
    101      -4.5069      1.00000
    102      -4.3355      1.00000
    103      -4.0000      1.00000
    104      -3.8891      1.00000
    105      -3.7913      1.00000
    106      -3.4409      1.00000
    107      -2.0358      0.00000
    108      -1.8682      0.00000
    109      -1.2212      0.00000
    110      -1.1874      0.00000
    111      -1.0423      0.00000
    112      -0.7780      0.00000
    113      -0.6827      0.00000
    114      -0.6666      0.00000
    115      -0.6139      0.00000
    116      -0.1076      0.00000
    117       0.2179      0.00000
    118       0.2334      0.00000
    119       0.7503      0.00000
    120       0.9665      0.00000
    121       1.0665      0.00000
    122       1.2305      0.00000
    123       1.2414      0.00000
    124       1.3223      0.00000
    125       1.5633      0.00000
    126       1.5773      0.00000
    127       1.6766      0.00000
    128       1.7793      0.00000
    129       1.9202      0.00000
    130       1.9304      0.00000
    131       2.0962      0.00000
    132       2.3037      0.00000
    133       2.3382      0.00000
    134       2.3966      0.00000
    135       2.5131      0.00000
    136       2.6136      0.00000
    137       2.7815      0.00000
    138       2.8242      0.00000
    139       2.8426      0.00000
    140       2.8604      0.00000
    141       3.0407      0.00000
    142       3.0808      0.00000
    143       3.1243      0.00000
    144       3.2028      0.00000
    145       3.3581      0.00000
    146       3.3996      0.00000
    147       3.4872      0.00000
    148       3.5333      0.00000
    149       3.5777      0.00000
    150       3.6041      0.00000
    151       3.6285      0.00000
    152       3.7189      0.00000
    153       3.7238      0.00000
    154       3.7706      0.00000
    155       3.8298      0.00000
    156       3.8661      0.00000
    157       3.9999      0.00000
    158       4.0684      0.00000
    159       4.1511      0.00000
    160       4.1832      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0423   -7.3943    4.1992   -1.2768   -0.2387   17.5983    0.1417   -0.5294    0.6316   -0.4643
x    -3.0923   -0.0372   -0.0633    0.0619   -0.0104   -2.9774   -0.0106   -0.0068    0.0048    0.0016
x    -0.0963    0.0017   -0.0013    0.0004    0.0003   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0423    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0005   -0.0944   -0.0089    0.0376    0.0388
y    -0.0450   -3.2444   -0.5416   -0.1638   -1.1900   -0.6057
z   204.0423    1.1032   -0.3120    0.0489    0.0201    0.0869   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1127    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7973
z    -0.2188    0.2316   -0.0550    0.0614   -0.0904    0.0008
 total charge-density along one line
x   212.0000  -10.2243    6.1475   -2.0870   -0.4746   19.5170   -1.0028    0.4785   -0.0483   -0.1245
x    -2.6452   -0.0275   -0.0610    0.0848   -0.0542   -2.2239   -0.0248   -0.0022    0.0051    0.0021
x    -0.0893    0.0059   -0.0049    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2243    6.1475   -2.0870   -0.4746   19.5171   -1.0028    0.4785   -0.0483   -0.1245
y    -2.6452   -0.0275   -0.0610    0.0848   -0.0542   -2.2239   -0.0248   -0.0022    0.0051    0.0021
y    -0.0893    0.0059   -0.0049    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3200  188.8859 -170.1404  154.0605 -140.5200  126.8287 -111.4512   95.0932  -79.2815
z    64.8984  -52.1004   41.0007  -31.9328   25.0589  -19.9896   15.9580  -12.3596    9.0832   -6.3568
z     4.3561   -2.9902    2.0065   -1.2161    0.5873   -0.1569   -0.0922    0.2476   -0.3866    0.5125
z    -0.5773    0.5539   -0.4736    0.3960   -0.3543    0.3360   -0.3108    0.2655   -0.2128    0.1706
z    -0.1440    0.1249   -0.1046    0.0830   -0.0654    0.0546   -0.0485    0.0427   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.838   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.003   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.100   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.154   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.838   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.003   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.100   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.154   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.057   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.304   0.000   0.028  -0.193  -0.030   0.000   0.096   0.000   0.000
  0.000   0.212   0.000   1.567   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.057   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.132   0.000  -0.034  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.156   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.304   0.000   0.037  -0.132   0.000   0.414   0.000   0.077   0.587  -0.238   0.000   0.063   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.377   0.000   0.000   0.000  -0.051   0.000   0.070   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.587   0.000   0.163   1.368  -0.420   0.000   0.285   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.096   0.000   0.026  -0.093   0.000   0.063   0.000   0.053   0.285  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.070   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.013   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.031   8.934
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.646
 25        0.864   1.782   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.646
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.866  89.414   8.031 142.311
 


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


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


    CHARGE:  VPU time   90.31: CPU time   45.55
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  362.33: CPU time  181.62
    STRESS:  VPU time 1090.18: CPU time  547.93
    FORCOR:  VPU time    7.38: CPU time    7.37
    FORHAR:  VPU time    1.96: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force = 0.1498481E-03[-0.160E-03, 0.460E-03]  d Energy = 0.3170990E-03-0.167E-03
 d Force = 0.9307607E+00[ 0.932E+00, 0.929E+00]  d Ewald  =-0.3629172E+02 0.372E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726458 eV

  energy  without entropy=     -471.726458  energy(sigma->0) =     -471.726458
 

  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    40802.76  40761.69 -47500.20    -35.56      0.00      0.00
  Hartree  40229.05  40212.93 -39486.96    -13.97      0.00      0.00
  E(xc)     -779.39   -779.67   -807.32     -0.24      0.00      0.00
  Local   -83316.06 -83267.68  84302.18     41.90      0.00      0.00
  n-local   -216.85   -215.62   -203.51      0.79      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.57   3175.39   3583.85      2.75      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.18     -0.71     -0.22     -0.46      0.00      0.00
  in kB       -0.11     -0.43     -0.13     -0.28      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
    12.345115945  0.003520377  0.000000000     0.080990369  0.046729090  0.000000000
    -6.169515878 10.692940200  0.000000000    -0.000026664  0.093504263  0.000000000
     0.000000000  0.000000000 19.981183447     0.000000000  0.000000000  0.050047086

  length of vectors
    12.345116447 12.345116294 19.981183447     0.093504266  0.093504267  0.050047086


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.285E-05 -.498E-04 -.950E+03   0.420E-05 -.275E-04 0.959E+03   -.296E-20 -.339E-20 -.870E+01   -.412E-06 0.240E-06 0.126E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.890E+00 -.254E+01   -.314E-03 0.180E-03 0.180E-02
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.890E+00 -.254E+01   0.313E-03 -.180E-03 0.180E-02
   -.199E+01 0.115E+01 0.136E+02   0.200E+01 -.115E+01 -.136E+02   0.412E-02 -.238E-02 -.339E-01   -.280E-03 0.159E-03 -.161E-02
   0.621E+01 0.683E+01 0.165E+02   -.620E+01 -.685E+01 -.164E+02   0.553E-02 0.162E-01 -.358E-01   -.713E-03 -.189E-02 -.145E-02
   0.112E+02 0.503E+01 0.166E+02   -.112E+02 -.504E+01 -.165E+02   0.195E-01 0.531E-02 -.493E-01   -.207E-03 -.818E-03 -.298E-03
   0.473E+01 -.897E+00 0.154E+02   -.474E+01 0.903E+00 -.154E+02   0.188E-01 -.934E-02 -.108E-01   0.327E-03 -.383E-03 0.447E-03
   -.301E+01 -.253E+01 0.138E+02   0.301E+01 0.252E+01 -.138E+02   0.480E-02 -.138E-03 -.415E-02   0.693E-03 0.211E-04 -.138E-03
   0.688E+00 0.387E+01 0.138E+02   -.680E+00 -.387E+01 -.138E+02   0.252E-02 -.409E-02 -.415E-02   0.323E-03 -.617E-03 -.141E-03
   0.249E+01 0.187E+02 0.225E+02   -.249E+01 -.188E+02 -.225E+02   0.306E-02 0.101E+00 -.450E-01   -.676E-03 -.326E-02 -.106E-02
   0.226E+02 0.212E+02 0.404E+02   -.227E+02 -.215E+02 -.403E+02   0.784E-01 0.258E+00 -.692E-01   -.265E-02 -.365E-02 -.169E-02
   0.266E+02 -.342E+01 0.258E+02   -.269E+02 0.352E+01 -.258E+02   0.271E+00 -.112E+00 -.435E-01   -.351E-02 0.191E-02 -.144E-02
   0.915E+01 -.528E+01 0.156E+02   -.920E+01 0.531E+01 -.155E+02   0.429E-01 -.248E-01 -.166E-01   0.120E-02 -.697E-03 -.244E-03
   0.314E+01 -.365E+01 0.154E+02   -.315E+01 0.365E+01 -.154E+02   0.175E-01 -.116E-01 -.108E-01   0.493E-03 -.961E-04 0.440E-03
   -.582E+01 0.135E+02 0.178E+02   0.582E+01 -.136E+02 -.177E+02   0.977E-03 0.680E-01 -.403E-01   0.226E-02 -.838E-03 -.335E-03
   -.117E+02 0.359E+02 0.467E+02   0.117E+02 -.365E+02 -.470E+02   -.287E-01 0.603E+00 0.297E+00   0.322E-02 -.479E-02 -.152E-02
   0.234E+02 -.135E+02 0.913E+02   -.240E+02 0.139E+02 -.933E+02   0.634E+00 -.366E+00 0.201E+01   -.218E-02 0.126E-02 -.124E-02
   0.163E+02 -.213E+02 0.258E+02   -.165E+02 0.215E+02 -.258E+02   0.232E+00 -.178E+00 -.435E-01   -.341E-02 0.208E-02 -.144E-02
   0.125E+01 -.122E+02 0.166E+02   -.125E+01 0.122E+02 -.165E+02   0.514E-02 -.195E-01 -.493E-01   0.608E-03 0.587E-03 -.303E-03
   -.409E+01 0.188E+01 0.141E+02   0.410E+01 -.189E+01 -.141E+02   0.412E-02 0.725E-02 -.342E-01   -.219E-03 0.107E-03 0.310E-03
   -.190E+02 0.110E+02 0.226E+02   0.191E+02 -.110E+02 -.225E+02   -.464E-01 0.268E-01 -.404E-01   0.265E-02 -.153E-02 -.146E-02
   -.369E+02 -.779E+01 0.467E+02   0.374E+02 0.807E+01 -.470E+02   -.537E+00 -.277E+00 0.297E+00   0.576E-02 -.395E-03 -.152E-02
   -.710E+01 -.302E+02 0.404E+02   0.728E+01 0.304E+02 -.403E+02   -.184E+00 -.197E+00 -.692E-01   0.184E-02 0.411E-02 -.169E-02
   -.281E+01 -.879E+01 0.165E+02   0.283E+01 0.880E+01 -.164E+02   -.113E-01 -.129E-01 -.358E-01   0.128E-02 0.156E-02 -.145E-02
   0.144E+01 -.832E+00 0.130E+02   -.144E+01 0.830E+00 -.129E+02   0.347E-02 -.200E-02 -.292E-01   0.168E-02 -.971E-03 -.886E-03
   -.368E+01 0.261E+01 0.141E+02   0.369E+01 -.261E+01 -.141E+02   -.422E-02 -.719E-02 -.342E-01   -.201E-03 0.140E-03 0.314E-03
   -.146E+02 -.171E+01 0.178E+02   0.147E+02 0.175E+01 -.177E+02   -.584E-01 -.348E-01 -.403E-01   0.186E-02 -.154E-02 -.328E-03
   -.150E+02 -.115E+02 0.225E+02   0.151E+02 0.116E+02 -.225E+02   -.859E-01 -.531E-01 -.450E-01   0.249E-02 0.221E-02 -.105E-02
   0.281E+01 0.879E+01 0.165E+02   -.283E+01 -.880E+01 -.164E+02   0.113E-01 0.129E-01 -.358E-01   -.128E-02 -.156E-02 -.145E-02
   0.150E+02 0.115E+02 0.225E+02   -.151E+02 -.116E+02 -.225E+02   0.859E-01 0.531E-01 -.450E-01   -.249E-02 -.221E-02 -.105E-02
   0.146E+02 0.171E+01 0.178E+02   -.147E+02 -.175E+01 -.177E+02   0.584E-01 0.348E-01 -.403E-01   -.186E-02 0.154E-02 -.328E-03
   0.368E+01 -.261E+01 0.141E+02   -.369E+01 0.261E+01 -.141E+02   0.422E-02 0.719E-02 -.342E-01   0.201E-03 -.140E-03 0.314E-03
   -.144E+01 0.832E+00 0.130E+02   0.144E+01 -.830E+00 -.129E+02   -.347E-02 0.200E-02 -.292E-01   -.168E-02 0.970E-03 -.886E-03
   -.125E+01 0.122E+02 0.166E+02   0.125E+01 -.122E+02 -.165E+02   -.514E-02 0.195E-01 -.493E-01   -.608E-03 -.587E-03 -.303E-03
   0.710E+01 0.302E+02 0.404E+02   -.728E+01 -.304E+02 -.403E+02   0.184E+00 0.197E+00 -.692E-01   -.184E-02 -.411E-02 -.169E-02
   0.369E+02 0.779E+01 0.467E+02   -.374E+02 -.807E+01 -.470E+02   0.537E+00 0.277E+00 0.297E+00   -.576E-02 0.395E-03 -.152E-02
   0.190E+02 -.110E+02 0.226E+02   -.191E+02 0.110E+02 -.225E+02   0.464E-01 -.268E-01 -.404E-01   -.265E-02 0.153E-02 -.146E-02
   0.409E+01 -.188E+01 0.141E+02   -.410E+01 0.189E+01 -.141E+02   -.412E-02 -.725E-02 -.342E-01   0.219E-03 -.108E-03 0.310E-03
   -.314E+01 0.365E+01 0.154E+02   0.315E+01 -.365E+01 -.154E+02   -.175E-01 0.116E-01 -.108E-01   -.493E-03 0.959E-04 0.440E-03
   -.163E+02 0.213E+02 0.258E+02   0.165E+02 -.215E+02 -.258E+02   -.232E+00 0.178E+00 -.435E-01   0.341E-02 -.208E-02 -.144E-02
   -.234E+02 0.135E+02 0.913E+02   0.240E+02 -.139E+02 -.933E+02   -.634E+00 0.366E+00 0.201E+01   0.218E-02 -.126E-02 -.124E-02
   0.117E+02 -.359E+02 0.467E+02   -.117E+02 0.365E+02 -.470E+02   0.287E-01 -.603E+00 0.297E+00   -.322E-02 0.479E-02 -.152E-02
   0.582E+01 -.135E+02 0.178E+02   -.582E+01 0.136E+02 -.177E+02   -.977E-03 -.680E-01 -.403E-01   -.226E-02 0.838E-03 -.335E-03
   -.688E+00 -.387E+01 0.138E+02   0.680E+00 0.387E+01 -.138E+02   -.252E-02 0.409E-02 -.415E-02   -.323E-03 0.617E-03 -.141E-03
   -.915E+01 0.528E+01 0.156E+02   0.920E+01 -.531E+01 -.155E+02   -.429E-01 0.248E-01 -.166E-01   -.120E-02 0.697E-03 -.244E-03
   -.266E+02 0.342E+01 0.258E+02   0.269E+02 -.352E+01 -.258E+02   -.271E+00 0.112E+00 -.435E-01   0.351E-02 -.191E-02 -.144E-02
   -.226E+02 -.212E+02 0.404E+02   0.227E+02 0.215E+02 -.403E+02   -.784E-01 -.258E+00 -.692E-01   0.265E-02 0.365E-02 -.169E-02
   -.249E+01 -.187E+02 0.225E+02   0.249E+01 0.188E+02 -.225E+02   -.306E-02 -.101E+00 -.450E-01   0.676E-03 0.326E-02 -.106E-02
   0.199E+01 -.115E+01 0.136E+02   -.200E+01 0.115E+01 -.136E+02   -.412E-02 0.238E-02 -.339E-01   0.280E-03 -.159E-03 -.161E-02
   0.301E+01 0.253E+01 0.138E+02   -.301E+01 -.252E+01 -.138E+02   -.480E-02 0.138E-03 -.415E-02   -.693E-03 -.211E-04 -.138E-03
   -.473E+01 0.897E+00 0.154E+02   0.474E+01 -.903E+00 -.154E+02   -.188E-01 0.934E-02 -.108E-01   -.327E-03 0.383E-03 0.448E-03
   -.112E+02 -.503E+01 0.166E+02   0.112E+02 0.504E+01 -.165E+02   -.195E-01 -.531E-02 -.493E-01   0.207E-03 0.818E-03 -.298E-03
   -.621E+01 -.683E+01 0.165E+02   0.620E+01 0.685E+01 -.164E+02   -.553E-02 -.162E-01 -.358E-01   0.713E-03 0.189E-02 -.145E-02
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.306E-03 0.101E+02   0.188E-12 0.178E-14 0.199E-12   -.355E-15 0.520E-16 -.101E+02   -.364E-06 0.202E-06 -.233E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85349      6.06086     12.33718         0.000000      0.000000     -0.035024
      1.07961      6.50766     13.59843        -0.008318      0.004803      0.008451
      2.62737      5.61406     13.59843         0.008318     -0.004803      0.008451
     -0.00017      0.00010      9.97772         0.013583     -0.007842     -0.009501
     -1.23436      2.13730      9.97796         0.013168     -0.009955     -0.004512
     -2.46885      4.27706      9.98369         0.000287     -0.004444      0.003457
     -3.70229      6.41593      9.98094         0.008231     -0.004062      0.006123
     -4.93570      8.55444      9.97864         0.009289     -0.006430      0.003225
      2.46891      0.00073      9.97864         0.010213     -0.004829      0.003225
      1.23422      2.13769      9.98214         0.008658     -0.000669     -0.000654
     -0.00164      4.27211      9.99576         0.001643      0.001191     -0.004968
     -1.23702      6.41725     10.00751         0.011143     -0.009658     -0.004716
     -2.46701      8.55530      9.98496         0.001545     -0.000892     -0.000318
      4.93761      0.00183      9.98094         0.007634     -0.005097      0.006123
      3.70450      2.13830      9.98956         0.006653     -0.008565      0.002661
      2.47091      4.27020     10.02886         0.002781     -0.003592      0.001190
      1.23035      6.42063     10.03851         0.012706     -0.007336      0.010854
     -0.00041      8.55912     10.00751         0.013936     -0.004821     -0.004716
      7.40665      0.00307      9.98369         0.003992      0.001973      0.003457
      6.17276      2.14081      9.98066         0.011311     -0.005654      0.006646
      4.93981      4.27897      9.99926         0.010035     -0.005794     -0.004279
      3.71296      6.42149     10.02886         0.004502     -0.000612      0.001190
      2.47502      8.56182      9.99576        -0.000210     -0.002018     -0.004968
      9.87698      0.00386      9.97796         0.015205     -0.006426     -0.004512
      8.64203      2.14150      9.97777         0.007958     -0.004595     -0.004600
      7.40799      4.28029      9.98066         0.010552     -0.006969      0.006646
      6.17603      6.41912      9.98956         0.010744     -0.001479      0.002661
      4.94142      8.55875      9.98214         0.004908     -0.007163     -0.000654
     -0.00048      1.42492      9.97796        -0.015205      0.006426     -0.004512
     -1.23444      3.56296      9.98214        -0.004908      0.007163     -0.000654
     -2.46905      5.70259      9.98956        -0.010744      0.001479      0.002661
     -3.70100      7.84143      9.98066        -0.010552      0.006969      0.006646
     -4.93504      9.98022      9.97777        -0.007958      0.004595     -0.004600
      2.46985      1.42570      9.98369        -0.003992     -0.001973      0.003457
      1.23196      3.55990      9.99576         0.000210      0.002018     -0.004968
     -0.00597      5.70022     10.02886        -0.004502      0.000612      0.001190
     -1.23283      7.84274      9.99926        -0.010035      0.005794     -0.004279
     -2.46578      9.98091      9.98066        -0.011311      0.005654      0.006646
      4.93889      1.42695      9.98094        -0.007634      0.005097      0.006123
      3.70740      3.56259     10.00751        -0.013936      0.004821     -0.004716
      2.47664      5.70109     10.03851        -0.012706      0.007336      0.010854
      1.23608      7.85152     10.02886        -0.002781      0.003592      0.001190
      0.00249      9.98342      9.98956        -0.006653      0.008565      0.002661
      7.40759      1.42804      9.97864        -0.010213      0.004829      0.003225
      6.17399      3.56642      9.98496        -0.001545      0.000892     -0.000318
      4.94400      5.70446     10.00751        -0.011143      0.009658     -0.004716
      3.70862      7.84960      9.99576        -0.001643     -0.001191     -0.004968
      2.47277      9.98403      9.98214        -0.008658      0.000669     -0.000654
      9.87666      1.42868      9.97772        -0.013583      0.007842     -0.009501
      8.64268      3.56728      9.97864        -0.009289      0.006430      0.003225
      7.40928      5.70578      9.98094        -0.008231      0.004062      0.006123
      6.17583      7.84466      9.98369        -0.000287      0.004444      0.003457
      4.94134      9.98442      9.97796        -0.013168      0.009955     -0.004512
 -----------------------------------------------------------------------------------
    total drift:                               -0.001821      0.000306     -0.003191


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000317  1 .order   -0.000338   -0.001240    0.000564
  (g-gl).g = 0.145E-02      g.g   = 0.147E-02  gl.gl    = 0.217E-01
 g(Force)  = 0.682E-03   g(Stress)= 0.790E-03 ortho     = 0.260E-04
 gamma     =   0.06652
 trial     =   0.84177
 opt step  =   0.57859  (harmonic =   0.57859) maximal distance =0.00068911
 next E    =  -471.726567   (d E  =  -0.00043)


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


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  150.68: CPU time   75.38
     LOOP+:  VPU time 7725.87: CPU time 3954.57


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


    POTLOK:  VPU time    7.78: CPU time    7.67
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1481.52: CPU time  758.81
 BZINTS: Fermi energy: -3.193267;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.35: CPU time   51.48
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1580.09: CPU time  818.40

 eigenvalue-minimisations  :  6080
 total energy-change (2. order) :-0.4717266E+03  (-0.6551440E-03)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9566215 magnetization   -0.0000004

 Broyden mixing:
  rms(total) = 0.35038E-02    rms(broyden)= 0.35028E-02
  rms(prec ) = 0.38511E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34052.92112693
  -1/2 Hartree   DENC   =    -40944.13288532
  -V(xc)+E(xc)   XCENC  =       726.52307110
  PAW double counting   =      4093.10767980    -4131.43500242
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.15044162
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72659793 eV

  energy without entropy =     -471.72659793  energy(sigma->0) =     -471.72659793


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




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


    POTLOK:  VPU time    7.68: CPU time    7.68
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1152.52: CPU time  589.38
 BZINTS: Fermi energy: -3.192263;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1160.54: CPU time  597.37

 eigenvalue-minimisations  :  4256
 total energy-change (2. order) : 0.2394950E-04  (-0.1163274E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9566215 magnetization   -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34052.92112693
  -1/2 Hartree   DENC   =    -40943.87083992
  -V(xc)+E(xc)   XCENC  =       726.51193039
  PAW double counting   =      4092.69657120    -4131.02083319
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.40438299
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72657398 eV

  energy without entropy =     -471.72657398  energy(sigma->0) =     -471.72657398


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2076       2 -39.5450       3 -39.5450       4 -58.3140       5 -58.3179
       6 -58.3210       7 -58.3155       8 -58.3160       9 -58.3160      10 -58.3219
      11 -58.3884      12 -58.3523      13 -58.3237      14 -58.3155      15 -58.3252
      16 -58.5417      17 -58.7286      18 -58.3523      19 -58.3210      20 -58.3208
      21 -58.3584      22 -58.5418      23 -58.3884      24 -58.3179      25 -58.3237
      26 -58.3208      27 -58.3252      28 -58.3219      29 -58.3178      30 -58.3218
      31 -58.3251      32 -58.3207      33 -58.3236      34 -58.3209      35 -58.3883
      36 -58.5417      37 -58.3583      38 -58.3207      39 -58.3153      40 -58.3522
      41 -58.7285      42 -58.5417      43 -58.3251      44 -58.3159      45 -58.3235
      46 -58.3522      47 -58.3883      48 -58.3218      49 -58.3139      50 -58.3159
      51 -58.3153      52 -58.3209      53 -58.3178
 
 
 
 E-fermi :  -3.1923     XC(G=0):  -2.3621     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4224      1.00000
      2     -21.5980      1.00000
      3     -21.4785      1.00000
      4     -21.4696      1.00000
      5     -21.4373      1.00000
      6     -21.4369      1.00000
      7     -21.4263      1.00000
      8     -19.7031      1.00000
      9     -19.6490      1.00000
     10     -19.6271      1.00000
     11     -19.6154      1.00000
     12     -19.6108      1.00000
     13     -19.6091      1.00000
     14     -18.7863      1.00000
     15     -18.7508      1.00000
     16     -18.7327      1.00000
     17     -18.7233      1.00000
     18     -18.7151      1.00000
     19     -18.7110      1.00000
     20     -16.6332      1.00000
     21     -16.6065      1.00000
     22     -16.5833      1.00000
     23     -16.5805      1.00000
     24     -16.5518      1.00000
     25     -16.5510      1.00000
     26     -15.6103      1.00000
     27     -15.5992      1.00000
     28     -15.5962      1.00000
     29     -15.5628      1.00000
     30     -15.5612      1.00000
     31     -15.5586      1.00000
     32     -14.2566      1.00000
     33     -14.2482      1.00000
     34     -14.2395      1.00000
     35     -14.2341      1.00000
     36     -14.2201      1.00000
     37     -14.2169      1.00000
     38     -11.9031      1.00000
     39     -11.8774      1.00000
     40     -11.8667      1.00000
     41     -11.8642      1.00000
     42     -11.8441      1.00000
     43     -11.8441      1.00000
     44     -11.7684      1.00000
     45     -11.7677      1.00000
     46     -11.7319      1.00000
     47     -11.7263      1.00000
     48     -11.7246      1.00000
     49     -11.7186      1.00000
     50     -10.6706      1.00000
     51     -10.3853      1.00000
     52     -10.3815      1.00000
     53     -10.3750      1.00000
     54     -10.3656      1.00000
     55     -10.3543      1.00000
     56     -10.3514      1.00000
     57      -9.8991      1.00000
     58      -9.4470      1.00000
     59      -9.4038      1.00000
     60      -9.3606      1.00000
     61      -9.3597      1.00000
     62      -9.3518      1.00000
     63      -9.1390      1.00000
     64      -9.1235      1.00000
     65      -9.1190      1.00000
     66      -9.0843      1.00000
     67      -9.0692      1.00000
     68      -9.0688      1.00000
     69      -9.0673      1.00000
     70      -9.0658      1.00000
     71      -9.0620      1.00000
     72      -9.0389      1.00000
     73      -9.0275      1.00000
     74      -9.0246      1.00000
     75      -8.1376      1.00000
     76      -7.7324      1.00000
     77      -7.4693      1.00000
     78      -7.4640      1.00000
     79      -7.4541      1.00000
     80      -7.4337      1.00000
     81      -7.4219      1.00000
     82      -7.4065      1.00000
     83      -7.3109      1.00000
     84      -7.2686      1.00000
     85      -7.2562      1.00000
     86      -7.2476      1.00000
     87      -7.1569      1.00000
     88      -7.0458      1.00000
     89      -6.4462      1.00000
     90      -6.4143      1.00000
     91      -6.3992      1.00000
     92      -6.3622      1.00000
     93      -6.3524      1.00000
     94      -6.3396      1.00000
     95      -5.9610      1.00000
     96      -5.9553      1.00000
     97      -4.7965      1.00000
     98      -4.5400      1.00000
     99      -4.4804      1.00000
    100      -4.4717      1.00000
    101      -4.3819      1.00000
    102      -4.3817      1.00000
    103      -4.2663      1.00000
    104      -4.1857      1.00000
    105      -3.7349      1.00000
    106      -3.4716      1.00000
    107      -1.8598      0.00000
    108      -1.6737      0.00000
    109      -1.6252      0.00000
    110      -1.5931      0.00000
    111      -1.5779      0.00000
    112      -1.5771      0.00000
    113      -0.4284      0.00000
    114       0.1414      0.00000
    115       0.1898      0.00000
    116       0.2527      0.00000
    117       0.2663      0.00000
    118       0.2686      0.00000
    119       0.4713      0.00000
    120       0.5323      0.00000
    121       1.2289      0.00000
    122       1.2828      0.00000
    123       1.5011      0.00000
    124       1.7577      0.00000
    125       1.7599      0.00000
    126       1.7602      0.00000
    127       1.8008      0.00000
    128       1.8234      0.00000
    129       1.9549      0.00000
    130       1.9614      0.00000
    131       1.9708      0.00000
    132       1.9858      0.00000
    133       1.9930      0.00000
    134       2.0610      0.00000
    135       2.2231      0.00000
    136       2.3301      0.00000
    137       2.5756      0.00000
    138       2.5779      0.00000
    139       2.5996      0.00000
    140       2.6848      0.00000
    141       2.9201      0.00000
    142       3.0411      0.00000
    143       3.0630      0.00000
    144       3.0852      0.00000
    145       3.0986      0.00000
    146       3.1003      0.00000
    147       3.1050      0.00000
    148       3.2487      0.00000
    149       3.4322      0.00000
    150       3.4852      0.00000
    151       3.8125      0.00000
    152       3.9357      0.00000
    153       3.9379      0.00000
    154       3.9419      0.00000
    155       3.9475      0.00000
    156       3.9864      0.00000
    157       4.1692      0.00000
    158       4.2504      0.00000
    159       4.2538      0.00000
    160       4.2718      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3858      1.00000
      2     -21.8267      1.00000
      3     -21.6343      1.00000
      4     -21.6073      1.00000
      5     -21.2709      1.00000
      6     -21.2322      1.00000
      7     -21.0538      1.00000
      8     -20.1642      1.00000
      9     -20.1268      1.00000
     10     -19.6052      1.00000
     11     -19.5943      1.00000
     12     -19.4146      1.00000
     13     -19.0865      1.00000
     14     -19.0566      1.00000
     15     -19.0467      1.00000
     16     -19.0390      1.00000
     17     -18.3581      1.00000
     18     -18.3493      1.00000
     19     -18.0172      1.00000
     20     -17.0672      1.00000
     21     -17.0290      1.00000
     22     -16.9430      1.00000
     23     -16.9370      1.00000
     24     -16.4660      1.00000
     25     -16.4605      1.00000
     26     -15.6101      1.00000
     27     -15.6048      1.00000
     28     -15.2502      1.00000
     29     -15.2419      1.00000
     30     -15.1830      1.00000
     31     -15.0960      1.00000
     32     -15.0697      1.00000
     33     -14.6962      1.00000
     34     -14.6934      1.00000
     35     -13.7249      1.00000
     36     -13.7209      1.00000
     37     -13.2349      1.00000
     38     -12.6131      1.00000
     39     -12.5834      1.00000
     40     -12.4528      1.00000
     41     -12.4477      1.00000
     42     -12.1084      1.00000
     43     -12.1025      1.00000
     44     -11.7136      1.00000
     45     -11.6829      1.00000
     46     -11.2330      1.00000
     47     -11.2253      1.00000
     48     -11.0167      1.00000
     49     -11.0080      1.00000
     50     -10.9236      1.00000
     51     -10.9023      1.00000
     52     -10.6252      1.00000
     53     -10.1548      1.00000
     54     -10.1481      1.00000
     55     -10.0916      1.00000
     56      -9.9949      1.00000
     57      -9.7000      1.00000
     58      -9.6944      1.00000
     59      -9.6538      1.00000
     60      -9.5902      1.00000
     61      -9.5740      1.00000
     62      -9.5573      1.00000
     63      -9.3079      1.00000
     64      -9.3013      1.00000
     65      -9.2718      1.00000
     66      -9.2331      1.00000
     67      -9.1344      1.00000
     68      -9.1169      1.00000
     69      -9.1079      1.00000
     70      -8.9379      1.00000
     71      -8.8689      1.00000
     72      -8.6033      1.00000
     73      -8.5893      1.00000
     74      -8.2390      1.00000
     75      -8.1014      1.00000
     76      -7.9081      1.00000
     77      -7.8613      1.00000
     78      -7.7720      1.00000
     79      -7.7563      1.00000
     80      -7.6958      1.00000
     81      -7.5533      1.00000
     82      -7.3393      1.00000
     83      -7.3223      1.00000
     84      -7.2043      1.00000
     85      -7.1210      1.00000
     86      -7.0322      1.00000
     87      -7.0103      1.00000
     88      -6.7034      1.00000
     89      -6.6777      1.00000
     90      -6.6407      1.00000
     91      -6.5966      1.00000
     92      -6.1173      1.00000
     93      -6.0608      1.00000
     94      -6.0298      1.00000
     95      -6.0101      1.00000
     96      -5.7825      1.00000
     97      -4.9685      1.00000
     98      -4.8301      1.00000
     99      -4.7459      1.00000
    100      -4.6790      1.00000
    101      -4.4625      1.00000
    102      -4.2007      1.00000
    103      -4.1698      1.00000
    104      -4.1274      1.00000
    105      -3.7255      1.00000
    106      -3.4815      1.00000
    107      -1.8702      0.00000
    108      -1.8114      0.00000
    109      -1.5242      0.00000
    110      -1.3792      0.00000
    111      -1.3236      0.00000
    112      -1.2901      0.00000
    113      -0.7210      0.00000
    114      -0.3776      0.00000
    115      -0.2519      0.00000
    116       0.0328      0.00000
    117       0.5416      0.00000
    118       0.6941      0.00000
    119       0.7420      0.00000
    120       1.0419      0.00000
    121       1.0962      0.00000
    122       1.1400      0.00000
    123       1.2209      0.00000
    124       1.3640      0.00000
    125       1.5032      0.00000
    126       1.5562      0.00000
    127       1.7024      0.00000
    128       1.8072      0.00000
    129       1.8537      0.00000
    130       1.8757      0.00000
    131       2.0804      0.00000
    132       2.1638      0.00000
    133       2.2238      0.00000
    134       2.2809      0.00000
    135       2.4907      0.00000
    136       2.5611      0.00000
    137       2.6379      0.00000
    138       2.7613      0.00000
    139       2.7839      0.00000
    140       2.8206      0.00000
    141       2.8592      0.00000
    142       2.8796      0.00000
    143       2.9359      0.00000
    144       3.0479      0.00000
    145       3.1323      0.00000
    146       3.2876      0.00000
    147       3.3814      0.00000
    148       3.4278      0.00000
    149       3.4499      0.00000
    150       3.5995      0.00000
    151       3.6339      0.00000
    152       3.6564      0.00000
    153       3.6996      0.00000
    154       3.8861      0.00000
    155       3.9365      0.00000
    156       3.9941      0.00000
    157       4.0447      0.00000
    158       4.2147      0.00000
    159       4.2349      0.00000
    160       4.2516      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2797      1.00000
      2     -22.0744      1.00000
      3     -21.7127      1.00000
      4     -21.6817      1.00000
      5     -20.9757      1.00000
      6     -20.9359      1.00000
      7     -20.6082      1.00000
      8     -20.5723      1.00000
      9     -20.5662      1.00000
     10     -20.0298      1.00000
     11     -19.5001      1.00000
     12     -19.4884      1.00000
     13     -19.3037      1.00000
     14     -19.2984      1.00000
     15     -18.4450      1.00000
     16     -18.4090      1.00000
     17     -17.9201      1.00000
     18     -17.9100      1.00000
     19     -17.7593      1.00000
     20     -17.7242      1.00000
     21     -17.4342      1.00000
     22     -17.4257      1.00000
     23     -17.3396      1.00000
     24     -16.4604      1.00000
     25     -16.4590      1.00000
     26     -15.9647      1.00000
     27     -15.4104      1.00000
     28     -15.4064      1.00000
     29     -15.0931      1.00000
     30     -15.0908      1.00000
     31     -14.8537      1.00000
     32     -14.8462      1.00000
     33     -14.2888      1.00000
     34     -14.2565      1.00000
     35     -13.4355      1.00000
     36     -13.4035      1.00000
     37     -13.1762      1.00000
     38     -13.1711      1.00000
     39     -12.9790      1.00000
     40     -12.9741      1.00000
     41     -12.6124      1.00000
     42     -12.6069      1.00000
     43     -12.1972      1.00000
     44     -11.5730      1.00000
     45     -11.5394      1.00000
     46     -11.3072      1.00000
     47     -11.2845      1.00000
     48     -11.1417      1.00000
     49     -10.6728      1.00000
     50     -10.6596      1.00000
     51     -10.5477      1.00000
     52     -10.3239      1.00000
     53     -10.3149      1.00000
     54     -10.1681      1.00000
     55     -10.1147      1.00000
     56     -10.1093      1.00000
     57      -9.7950      1.00000
     58      -9.7655      1.00000
     59      -9.7487      1.00000
     60      -9.6993      1.00000
     61      -9.6964      1.00000
     62      -9.6594      1.00000
     63      -9.3558      1.00000
     64      -9.3480      1.00000
     65      -9.3122      1.00000
     66      -9.0381      1.00000
     67      -8.9629      1.00000
     68      -8.9474      1.00000
     69      -8.7969      1.00000
     70      -8.5911      1.00000
     71      -8.5569      1.00000
     72      -8.3957      1.00000
     73      -8.3633      1.00000
     74      -8.3235      1.00000
     75      -8.3059      1.00000
     76      -8.2588      1.00000
     77      -8.2552      1.00000
     78      -8.2339      1.00000
     79      -7.9081      1.00000
     80      -7.6521      1.00000
     81      -7.5430      1.00000
     82      -7.3862      1.00000
     83      -7.3493      1.00000
     84      -7.2319      1.00000
     85      -7.0975      1.00000
     86      -7.0368      1.00000
     87      -6.9339      1.00000
     88      -6.8462      1.00000
     89      -6.6106      1.00000
     90      -6.5601      1.00000
     91      -6.2680      1.00000
     92      -6.0420      1.00000
     93      -5.9508      1.00000
     94      -5.6618      1.00000
     95      -5.6212      1.00000
     96      -5.4603      1.00000
     97      -5.3190      1.00000
     98      -5.2782      1.00000
     99      -5.2138      1.00000
    100      -5.1927      1.00000
    101      -4.4997      1.00000
    102      -4.2044      1.00000
    103      -4.0552      1.00000
    104      -3.9885      1.00000
    105      -3.6913      1.00000
    106      -3.4916      1.00000
    107      -1.9468      0.00000
    108      -1.8992      0.00000
    109      -1.3371      0.00000
    110      -1.0868      0.00000
    111      -1.0600      0.00000
    112      -0.8020      0.00000
    113      -0.6792      0.00000
    114      -0.6490      0.00000
    115      -0.6095      0.00000
    116      -0.1111      0.00000
    117       0.2126      0.00000
    118       0.3246      0.00000
    119       0.6802      0.00000
    120       0.8729      0.00000
    121       1.1195      0.00000
    122       1.1947      0.00000
    123       1.3133      0.00000
    124       1.4030      0.00000
    125       1.5464      0.00000
    126       1.5703      0.00000
    127       1.6584      0.00000
    128       1.7942      0.00000
    129       1.8547      0.00000
    130       2.0325      0.00000
    131       2.1196      0.00000
    132       2.3233      0.00000
    133       2.3545      0.00000
    134       2.3742      0.00000
    135       2.5162      0.00000
    136       2.6156      0.00000
    137       2.7106      0.00000
    138       2.7577      0.00000
    139       2.8246      0.00000
    140       2.8673      0.00000
    141       3.0304      0.00000
    142       3.0396      0.00000
    143       3.1378      0.00000
    144       3.2429      0.00000
    145       3.3387      0.00000
    146       3.3951      0.00000
    147       3.4093      0.00000
    148       3.5543      0.00000
    149       3.5681      0.00000
    150       3.5789      0.00000
    151       3.6450      0.00000
    152       3.6559      0.00000
    153       3.7615      0.00000
    154       3.7824      0.00000
    155       3.8040      0.00000
    156       3.8739      0.00000
    157       3.8992      0.00000
    158       3.9696      0.00000
    159       4.1883      0.00000
    160       4.2076      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3137      1.00000
      2     -21.9589      1.00000
      3     -21.8904      1.00000
      4     -21.3770      1.00000
      5     -21.3485      1.00000
      6     -20.8365      1.00000
      7     -20.7716      1.00000
      8     -20.6214      1.00000
      9     -20.0740      1.00000
     10     -20.0686      1.00000
     11     -19.7137      1.00000
     12     -19.6899      1.00000
     13     -18.9934      1.00000
     14     -18.9878      1.00000
     15     -18.6369      1.00000
     16     -18.6214      1.00000
     17     -18.4605      1.00000
     18     -17.6733      1.00000
     19     -17.6238      1.00000
     20     -17.6208      1.00000
     21     -17.5791      1.00000
     22     -17.1239      1.00000
     23     -17.1028      1.00000
     24     -16.9590      1.00000
     25     -15.9992      1.00000
     26     -15.9252      1.00000
     27     -15.5836      1.00000
     28     -15.5835      1.00000
     29     -15.2847      1.00000
     30     -14.8617      1.00000
     31     -14.8349      1.00000
     32     -14.5784      1.00000
     33     -14.5367      1.00000
     34     -14.1651      1.00000
     35     -14.1513      1.00000
     36     -13.1468      1.00000
     37     -13.0989      1.00000
     38     -13.0290      1.00000
     39     -13.0197      1.00000
     40     -12.7084      1.00000
     41     -12.7046      1.00000
     42     -12.3380      1.00000
     43     -12.3067      1.00000
     44     -11.6323      1.00000
     45     -11.6194      1.00000
     46     -11.5688      1.00000
     47     -10.9463      1.00000
     48     -10.9132      1.00000
     49     -10.6292      1.00000
     50     -10.6243      1.00000
     51     -10.5448      1.00000
     52     -10.4964      1.00000
     53     -10.4956      1.00000
     54     -10.4396      1.00000
     55     -10.3614      1.00000
     56     -10.0961      1.00000
     57      -9.9013      1.00000
     58      -9.6098      1.00000
     59      -9.5577      1.00000
     60      -9.4504      1.00000
     61      -9.4093      1.00000
     62      -9.4025      1.00000
     63      -9.3779      1.00000
     64      -9.3773      1.00000
     65      -9.2845      1.00000
     66      -9.1654      1.00000
     67      -9.1405      1.00000
     68      -9.1121      1.00000
     69      -8.8611      1.00000
     70      -8.8541      1.00000
     71      -8.8140      1.00000
     72      -8.5953      1.00000
     73      -8.4788      1.00000
     74      -8.1966      1.00000
     75      -8.1608      1.00000
     76      -8.0125      1.00000
     77      -7.9564      1.00000
     78      -7.8517      1.00000
     79      -7.8416      1.00000
     80      -7.7059      1.00000
     81      -7.6966      1.00000
     82      -7.6242      1.00000
     83      -7.4447      1.00000
     84      -7.3053      1.00000
     85      -7.2478      1.00000
     86      -6.9048      1.00000
     87      -6.8911      1.00000
     88      -6.5882      1.00000
     89      -6.5498      1.00000
     90      -6.4088      1.00000
     91      -6.2520      1.00000
     92      -6.2314      1.00000
     93      -6.2023      1.00000
     94      -6.0223      1.00000
     95      -5.5485      1.00000
     96      -5.4879      1.00000
     97      -5.3484      1.00000
     98      -5.2198      1.00000
     99      -4.9782      1.00000
    100      -4.7281      1.00000
    101      -4.6761      1.00000
    102      -4.3835      1.00000
    103      -4.1998      1.00000
    104      -3.8646      1.00000
    105      -3.5458      1.00000
    106      -3.5029      1.00000
    107      -2.2587      0.00000
    108      -1.4543      0.00000
    109      -1.3735      0.00000
    110      -1.2438      0.00000
    111      -1.0987      0.00000
    112      -0.9473      0.00000
    113      -0.8659      0.00000
    114      -0.8057      0.00000
    115      -0.1423      0.00000
    116       0.1075      0.00000
    117       0.2395      0.00000
    118       0.3739      0.00000
    119       0.6374      0.00000
    120       0.8307      0.00000
    121       0.9327      0.00000
    122       1.0502      0.00000
    123       1.2186      0.00000
    124       1.4304      0.00000
    125       1.5259      0.00000
    126       1.7617      0.00000
    127       1.7837      0.00000
    128       1.8581      0.00000
    129       1.9422      0.00000
    130       2.0300      0.00000
    131       2.1521      0.00000
    132       2.1818      0.00000
    133       2.3889      0.00000
    134       2.4610      0.00000
    135       2.5298      0.00000
    136       2.6005      0.00000
    137       2.6342      0.00000
    138       2.6791      0.00000
    139       2.7595      0.00000
    140       2.8080      0.00000
    141       2.9260      0.00000
    142       3.0613      0.00000
    143       3.1749      0.00000
    144       3.2063      0.00000
    145       3.2465      0.00000
    146       3.3084      0.00000
    147       3.3100      0.00000
    148       3.4447      0.00000
    149       3.4727      0.00000
    150       3.6819      0.00000
    151       3.6890      0.00000
    152       3.7086      0.00000
    153       3.8421      0.00000
    154       3.8934      0.00000
    155       3.9215      0.00000
    156       3.9695      0.00000
    157       4.0048      0.00000
    158       4.0228      0.00000
    159       4.0343      0.00000
    160       4.0558      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2064      1.00000
      2     -22.1142      1.00000
      3     -21.9533      1.00000
      4     -21.4009      1.00000
      5     -21.0462      1.00000
      6     -21.0111      1.00000
      7     -20.4971      1.00000
      8     -20.4585      1.00000
      9     -20.2920      1.00000
     10     -20.2730      1.00000
     11     -19.9544      1.00000
     12     -19.8887      1.00000
     13     -18.8794      1.00000
     14     -18.8108      1.00000
     15     -18.3502      1.00000
     16     -18.3049      1.00000
     17     -18.1506      1.00000
     18     -18.1335      1.00000
     19     -17.8244      1.00000
     20     -17.7875      1.00000
     21     -17.2503      1.00000
     22     -17.2391      1.00000
     23     -17.1639      1.00000
     24     -17.1303      1.00000
     25     -16.1076      1.00000
     26     -15.8818      1.00000
     27     -15.8675      1.00000
     28     -15.8322      1.00000
     29     -15.2355      1.00000
     30     -14.5521      1.00000
     31     -14.5249      1.00000
     32     -14.2793      1.00000
     33     -13.9632      1.00000
     34     -13.9548      1.00000
     35     -13.8199      1.00000
     36     -13.8031      1.00000
     37     -13.6127      1.00000
     38     -13.5693      1.00000
     39     -13.3667      1.00000
     40     -12.6321      1.00000
     41     -12.1790      1.00000
     42     -12.1315      1.00000
     43     -12.0691      1.00000
     44     -12.0165      1.00000
     45     -11.6693      1.00000
     46     -11.6560      1.00000
     47     -11.1369      1.00000
     48     -11.1168      1.00000
     49     -10.7919      1.00000
     50     -10.7277      1.00000
     51     -10.5221      1.00000
     52     -10.2098      1.00000
     53     -10.2028      1.00000
     54     -10.1624      1.00000
     55     -10.0170      1.00000
     56     -10.0025      1.00000
     57      -9.9884      1.00000
     58      -9.8013      1.00000
     59      -9.7965      1.00000
     60      -9.7617      1.00000
     61      -9.7568      1.00000
     62      -9.4517      1.00000
     63      -9.4141      1.00000
     64      -9.0771      1.00000
     65      -9.0727      1.00000
     66      -9.0401      1.00000
     67      -8.9538      1.00000
     68      -8.8752      1.00000
     69      -8.7118      1.00000
     70      -8.6993      1.00000
     71      -8.5633      1.00000
     72      -8.5407      1.00000
     73      -8.4972      1.00000
     74      -8.4630      1.00000
     75      -8.4520      1.00000
     76      -8.2576      1.00000
     77      -8.1243      1.00000
     78      -8.0412      1.00000
     79      -7.9155      1.00000
     80      -7.8614      1.00000
     81      -7.6156      1.00000
     82      -7.5470      1.00000
     83      -7.4950      1.00000
     84      -7.2624      1.00000
     85      -6.9957      1.00000
     86      -6.9243      1.00000
     87      -6.8830      1.00000
     88      -6.5312      1.00000
     89      -6.4851      1.00000
     90      -6.4605      1.00000
     91      -6.4089      1.00000
     92      -5.9820      1.00000
     93      -5.8964      1.00000
     94      -5.7842      1.00000
     95      -5.7583      1.00000
     96      -5.4295      1.00000
     97      -5.3280      1.00000
     98      -5.2300      1.00000
     99      -5.2173      1.00000
    100      -5.1873      1.00000
    101      -4.6884      1.00000
    102      -4.4161      1.00000
    103      -4.2061      1.00000
    104      -3.8271      1.00000
    105      -3.5220      1.00000
    106      -3.2747      1.00000
    107      -2.5331      0.00000
    108      -1.4560      0.00000
    109      -1.2692      0.00000
    110      -1.2048      0.00000
    111      -1.1740      0.00000
    112      -0.7207      0.00000
    113      -0.5059      0.00000
    114      -0.4143      0.00000
    115      -0.3412      0.00000
    116      -0.1486      0.00000
    117      -0.0056      0.00000
    118       0.1892      0.00000
    119       0.5569      0.00000
    120       0.6089      0.00000
    121       0.7841      0.00000
    122       0.8907      0.00000
    123       1.1165      0.00000
    124       1.4702      0.00000
    125       1.6163      0.00000
    126       1.8182      0.00000
    127       1.9064      0.00000
    128       2.0834      0.00000
    129       2.0959      0.00000
    130       2.1520      0.00000
    131       2.1873      0.00000
    132       2.2754      0.00000
    133       2.3326      0.00000
    134       2.4643      0.00000
    135       2.5701      0.00000
    136       2.6388      0.00000
    137       2.8349      0.00000
    138       2.8645      0.00000
    139       2.8813      0.00000
    140       2.9965      0.00000
    141       3.0063      0.00000
    142       3.1220      0.00000
    143       3.1787      0.00000
    144       3.2196      0.00000
    145       3.2597      0.00000
    146       3.2687      0.00000
    147       3.2922      0.00000
    148       3.3331      0.00000
    149       3.3996      0.00000
    150       3.4180      0.00000
    151       3.5212      0.00000
    152       3.6037      0.00000
    153       3.7055      0.00000
    154       3.7212      0.00000
    155       3.7484      0.00000
    156       3.8805      0.00000
    157       3.9177      0.00000
    158       3.9825      0.00000
    159       4.0986      0.00000
    160       4.1931      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3135      1.00000
      2     -21.9606      1.00000
      3     -21.8889      1.00000
      4     -21.3809      1.00000
      5     -21.3453      1.00000
      6     -20.8360      1.00000
      7     -20.7698      1.00000
      8     -20.6216      1.00000
      9     -20.0864      1.00000
     10     -20.0583      1.00000
     11     -19.7151      1.00000
     12     -19.6869      1.00000
     13     -19.0068      1.00000
     14     -18.9763      1.00000
     15     -18.6473      1.00000
     16     -18.6152      1.00000
     17     -18.4577      1.00000
     18     -17.6580      1.00000
     19     -17.6438      1.00000
     20     -17.6083      1.00000
     21     -17.5752      1.00000
     22     -17.1351      1.00000
     23     -17.0957      1.00000
     24     -16.9647      1.00000
     25     -16.0071      1.00000
     26     -15.9206      1.00000
     27     -15.5958      1.00000
     28     -15.5729      1.00000
     29     -15.2781      1.00000
     30     -14.8741      1.00000
     31     -14.8279      1.00000
     32     -14.5727      1.00000
     33     -14.5344      1.00000
     34     -14.1631      1.00000
     35     -14.1582      1.00000
     36     -13.1604      1.00000
     37     -13.0930      1.00000
     38     -13.0204      1.00000
     39     -13.0166      1.00000
     40     -12.7155      1.00000
     41     -12.6926      1.00000
     42     -12.3387      1.00000
     43     -12.3111      1.00000
     44     -11.6312      1.00000
     45     -11.6218      1.00000
     46     -11.5681      1.00000
     47     -10.9397      1.00000
     48     -10.9210      1.00000
     49     -10.6635      1.00000
     50     -10.5883      1.00000
     51     -10.5710      1.00000
     52     -10.5008      1.00000
     53     -10.4860      1.00000
     54     -10.4380      1.00000
     55     -10.3530      1.00000
     56     -10.1003      1.00000
     57      -9.8955      1.00000
     58      -9.6058      1.00000
     59      -9.5479      1.00000
     60      -9.4508      1.00000
     61      -9.4193      1.00000
     62      -9.4062      1.00000
     63      -9.3776      1.00000
     64      -9.3696      1.00000
     65      -9.2653      1.00000
     66      -9.1651      1.00000
     67      -9.1415      1.00000
     68      -9.1149      1.00000
     69      -8.8658      1.00000
     70      -8.8590      1.00000
     71      -8.8006      1.00000
     72      -8.5939      1.00000
     73      -8.5237      1.00000
     74      -8.1930      1.00000
     75      -8.1698      1.00000
     76      -8.0779      1.00000
     77      -7.8567      1.00000
     78      -7.8353      1.00000
     79      -7.8189      1.00000
     80      -7.7100      1.00000
     81      -7.6951      1.00000
     82      -7.6009      1.00000
     83      -7.5239      1.00000
     84      -7.3511      1.00000
     85      -7.1656      1.00000
     86      -6.9056      1.00000
     87      -6.8949      1.00000
     88      -6.5928      1.00000
     89      -6.5499      1.00000
     90      -6.4045      1.00000
     91      -6.3014      1.00000
     92      -6.2470      1.00000
     93      -6.2020      1.00000
     94      -6.0023      1.00000
     95      -5.5298      1.00000
     96      -5.4642      1.00000
     97      -5.3123      1.00000
     98      -5.2087      1.00000
     99      -5.0442      1.00000
    100      -4.7214      1.00000
    101      -4.6696      1.00000
    102      -4.4183      1.00000
    103      -4.1921      1.00000
    104      -3.8363      1.00000
    105      -3.6313      1.00000
    106      -3.4141      1.00000
    107      -2.2931      0.00000
    108      -1.5080      0.00000
    109      -1.2718      0.00000
    110      -1.2650      0.00000
    111      -1.0356      0.00000
    112      -0.9797      0.00000
    113      -0.8700      0.00000
    114      -0.8018      0.00000
    115      -0.2633      0.00000
    116       0.2012      0.00000
    117       0.2365      0.00000
    118       0.3551      0.00000
    119       0.6762      0.00000
    120       0.8899      0.00000
    121       0.9189      0.00000
    122       1.0288      0.00000
    123       1.1515      0.00000
    124       1.4935      0.00000
    125       1.5352      0.00000
    126       1.6915      0.00000
    127       1.7737      0.00000
    128       1.8248      0.00000
    129       1.9464      0.00000
    130       1.9661      0.00000
    131       2.1729      0.00000
    132       2.2347      0.00000
    133       2.3905      0.00000
    134       2.4663      0.00000
    135       2.5297      0.00000
    136       2.5936      0.00000
    137       2.6140      0.00000
    138       2.6819      0.00000
    139       2.7407      0.00000
    140       2.8338      0.00000
    141       3.0164      0.00000
    142       3.0606      0.00000
    143       3.1747      0.00000
    144       3.2341      0.00000
    145       3.2480      0.00000
    146       3.2815      0.00000
    147       3.3348      0.00000
    148       3.4272      0.00000
    149       3.4965      0.00000
    150       3.6761      0.00000
    151       3.7099      0.00000
    152       3.7174      0.00000
    153       3.8112      0.00000
    154       3.8758      0.00000
    155       3.9090      0.00000
    156       3.9631      0.00000
    157       3.9953      0.00000
    158       4.0342      0.00000
    159       4.0384      0.00000
    160       4.0803      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3857      1.00000
      2     -21.8268      1.00000
      3     -21.6376      1.00000
      4     -21.6036      1.00000
      5     -21.2752      1.00000
      6     -21.2289      1.00000
      7     -21.0529      1.00000
      8     -20.1677      1.00000
      9     -20.1224      1.00000
     10     -19.6142      1.00000
     11     -19.5887      1.00000
     12     -19.4121      1.00000
     13     -19.0911      1.00000
     14     -19.0534      1.00000
     15     -19.0492      1.00000
     16     -19.0362      1.00000
     17     -18.3644      1.00000
     18     -18.3450      1.00000
     19     -18.0133      1.00000
     20     -17.0690      1.00000
     21     -17.0210      1.00000
     22     -16.9477      1.00000
     23     -16.9341      1.00000
     24     -16.4740      1.00000
     25     -16.4621      1.00000
     26     -15.6076      1.00000
     27     -15.6072      1.00000
     28     -15.2474      1.00000
     29     -15.2356      1.00000
     30     -15.1875      1.00000
     31     -15.0978      1.00000
     32     -15.0655      1.00000
     33     -14.6970      1.00000
     34     -14.6961      1.00000
     35     -13.7237      1.00000
     36     -13.7236      1.00000
     37     -13.2316      1.00000
     38     -12.6216      1.00000
     39     -12.5784      1.00000
     40     -12.4511      1.00000
     41     -12.4458      1.00000
     42     -12.1040      1.00000
     43     -12.0992      1.00000
     44     -11.7212      1.00000
     45     -11.6832      1.00000
     46     -11.2442      1.00000
     47     -11.2244      1.00000
     48     -11.0142      1.00000
     49     -11.0026      1.00000
     50     -10.9265      1.00000
     51     -10.8983      1.00000
     52     -10.6313      1.00000
     53     -10.1691      1.00000
     54     -10.1465      1.00000
     55     -10.0824      1.00000
     56      -9.9869      1.00000
     57      -9.6937      1.00000
     58      -9.6866      1.00000
     59      -9.6685      1.00000
     60      -9.5923      1.00000
     61      -9.5681      1.00000
     62      -9.5512      1.00000
     63      -9.3097      1.00000
     64      -9.2969      1.00000
     65      -9.2798      1.00000
     66      -9.2448      1.00000
     67      -9.1200      1.00000
     68      -9.1093      1.00000
     69      -9.1080      1.00000
     70      -8.9371      1.00000
     71      -8.8770      1.00000
     72      -8.6054      1.00000
     73      -8.5870      1.00000
     74      -8.2718      1.00000
     75      -8.0982      1.00000
     76      -7.8695      1.00000
     77      -7.8420      1.00000
     78      -7.7900      1.00000
     79      -7.7633      1.00000
     80      -7.7536      1.00000
     81      -7.4390      1.00000
     82      -7.3321      1.00000
     83      -7.3208      1.00000
     84      -7.2647      1.00000
     85      -7.1662      1.00000
     86      -7.0173      1.00000
     87      -6.9850      1.00000
     88      -6.7163      1.00000
     89      -6.6919      1.00000
     90      -6.6301      1.00000
     91      -6.5892      1.00000
     92      -6.1146      1.00000
     93      -6.0590      1.00000
     94      -6.0441      1.00000
     95      -6.0298      1.00000
     96      -5.7465      1.00000
     97      -4.9687      1.00000
     98      -4.8374      1.00000
     99      -4.7081      1.00000
    100      -4.6725      1.00000
    101      -4.4785      1.00000
    102      -4.3468      1.00000
    103      -4.1118      1.00000
    104      -4.0550      1.00000
    105      -3.7506      1.00000
    106      -3.4600      1.00000
    107      -1.9491      0.00000
    108      -1.7730      0.00000
    109      -1.4816      0.00000
    110      -1.3573      0.00000
    111      -1.3384      0.00000
    112      -1.2940      0.00000
    113      -0.6797      0.00000
    114      -0.4722      0.00000
    115      -0.2380      0.00000
    116       0.0472      0.00000
    117       0.5714      0.00000
    118       0.6898      0.00000
    119       0.7650      0.00000
    120       1.0147      0.00000
    121       1.0947      0.00000
    122       1.1682      0.00000
    123       1.2415      0.00000
    124       1.3260      0.00000
    125       1.4150      0.00000
    126       1.5681      0.00000
    127       1.7548      0.00000
    128       1.8325      0.00000
    129       1.8563      0.00000
    130       1.8783      0.00000
    131       2.0335      0.00000
    132       2.1983      0.00000
    133       2.2071      0.00000
    134       2.2582      0.00000
    135       2.4631      0.00000
    136       2.5932      0.00000
    137       2.6388      0.00000
    138       2.7207      0.00000
    139       2.7781      0.00000
    140       2.8311      0.00000
    141       2.8368      0.00000
    142       2.8721      0.00000
    143       2.9414      0.00000
    144       3.0502      0.00000
    145       3.2836      0.00000
    146       3.3459      0.00000
    147       3.3962      0.00000
    148       3.4109      0.00000
    149       3.4120      0.00000
    150       3.5800      0.00000
    151       3.6429      0.00000
    152       3.6569      0.00000
    153       3.7134      0.00000
    154       3.8787      0.00000
    155       3.8984      0.00000
    156       3.9382      0.00000
    157       4.0847      0.00000
    158       4.1801      0.00000
    159       4.2330      0.00000
    160       4.2666      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2054      1.00000
      2     -22.1155      1.00000
      3     -21.9531      1.00000
      4     -21.4013      1.00000
      5     -21.0423      1.00000
      6     -21.0146      1.00000
      7     -20.4924      1.00000
      8     -20.4632      1.00000
      9     -20.2824      1.00000
     10     -20.2807      1.00000
     11     -19.9539      1.00000
     12     -19.8911      1.00000
     13     -18.8810      1.00000
     14     -18.8139      1.00000
     15     -18.3342      1.00000
     16     -18.3154      1.00000
     17     -18.1464      1.00000
     18     -18.1391      1.00000
     19     -17.8125      1.00000
     20     -17.7948      1.00000
     21     -17.2563      1.00000
     22     -17.2371      1.00000
     23     -17.1572      1.00000
     24     -17.1344      1.00000
     25     -16.1120      1.00000
     26     -15.8782      1.00000
     27     -15.8675      1.00000
     28     -15.8399      1.00000
     29     -15.2287      1.00000
     30     -14.5496      1.00000
     31     -14.5318      1.00000
     32     -14.2739      1.00000
     33     -13.9715      1.00000
     34     -13.9478      1.00000
     35     -13.8230      1.00000
     36     -13.8003      1.00000
     37     -13.6023      1.00000
     38     -13.5774      1.00000
     39     -13.3662      1.00000
     40     -12.6349      1.00000
     41     -12.1678      1.00000
     42     -12.1417      1.00000
     43     -12.0665      1.00000
     44     -12.0198      1.00000
     45     -11.6611      1.00000
     46     -11.6568      1.00000
     47     -11.1363      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7347      1.00000
     51     -10.5292      1.00000
     52     -10.2049      1.00000
     53     -10.1990      1.00000
     54     -10.1680      1.00000
     55     -10.0191      1.00000
     56      -9.9919      1.00000
     57      -9.9870      1.00000
     58      -9.8023      1.00000
     59      -9.7928      1.00000
     60      -9.7641      1.00000
     61      -9.7564      1.00000
     62      -9.4558      1.00000
     63      -9.4146      1.00000
     64      -9.0819      1.00000
     65      -9.0431      1.00000
     66      -9.0237      1.00000
     67      -8.9695      1.00000
     68      -8.8952      1.00000
     69      -8.7052      1.00000
     70      -8.6963      1.00000
     71      -8.5612      1.00000
     72      -8.5506      1.00000
     73      -8.4777      1.00000
     74      -8.4585      1.00000
     75      -8.4550      1.00000
     76      -8.3037      1.00000
     77      -8.0919      1.00000
     78      -8.0887      1.00000
     79      -7.9249      1.00000
     80      -7.8326      1.00000
     81      -7.5993      1.00000
     82      -7.5383      1.00000
     83      -7.4531      1.00000
     84      -7.3042      1.00000
     85      -6.9911      1.00000
     86      -6.9177      1.00000
     87      -6.8792      1.00000
     88      -6.5293      1.00000
     89      -6.5153      1.00000
     90      -6.4823      1.00000
     91      -6.4202      1.00000
     92      -5.9246      1.00000
     93      -5.9035      1.00000
     94      -5.7880      1.00000
     95      -5.7736      1.00000
     96      -5.3673      1.00000
     97      -5.3606      1.00000
     98      -5.2191      1.00000
     99      -5.2150      1.00000
    100      -5.1981      1.00000
    101      -4.7177      1.00000
    102      -4.4356      1.00000
    103      -4.1884      1.00000
    104      -3.8132      1.00000
    105      -3.5590      1.00000
    106      -3.2235      1.00000
    107      -2.5626      0.00000
    108      -1.4611      0.00000
    109      -1.2689      0.00000
    110      -1.1874      0.00000
    111      -1.1859      0.00000
    112      -0.6462      0.00000
    113      -0.5545      0.00000
    114      -0.4166      0.00000
    115      -0.3502      0.00000
    116      -0.0803      0.00000
    117      -0.0661      0.00000
    118       0.1234      0.00000
    119       0.5899      0.00000
    120       0.6220      0.00000
    121       0.8395      0.00000
    122       0.9699      0.00000
    123       0.9898      0.00000
    124       1.4783      0.00000
    125       1.6633      0.00000
    126       1.7320      0.00000
    127       1.8307      0.00000
    128       2.0849      0.00000
    129       2.1473      0.00000
    130       2.1813      0.00000
    131       2.2060      0.00000
    132       2.2522      0.00000
    133       2.3451      0.00000
    134       2.4794      0.00000
    135       2.5092      0.00000
    136       2.6417      0.00000
    137       2.8501      0.00000
    138       2.8540      0.00000
    139       2.9359      0.00000
    140       2.9846      0.00000
    141       3.0163      0.00000
    142       3.1190      0.00000
    143       3.1925      0.00000
    144       3.2295      0.00000
    145       3.2310      0.00000
    146       3.2688      0.00000
    147       3.2929      0.00000
    148       3.3402      0.00000
    149       3.3888      0.00000
    150       3.5239      0.00000
    151       3.5457      0.00000
    152       3.6252      0.00000
    153       3.6394      0.00000
    154       3.7009      0.00000
    155       3.7200      0.00000
    156       3.8817      0.00000
    157       3.9377      0.00000
    158       4.0095      0.00000
    159       4.0452      0.00000
    160       4.1530      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2792      1.00000
      2     -22.0749      1.00000
      3     -21.7164      1.00000
      4     -21.6781      1.00000
      5     -20.9790      1.00000
      6     -20.9321      1.00000
      7     -20.6076      1.00000
      8     -20.5755      1.00000
      9     -20.5627      1.00000
     10     -20.0286      1.00000
     11     -19.5106      1.00000
     12     -19.4812      1.00000
     13     -19.3090      1.00000
     14     -19.2962      1.00000
     15     -18.4460      1.00000
     16     -18.4036      1.00000
     17     -17.9251      1.00000
     18     -17.9052      1.00000
     19     -17.7624      1.00000
     20     -17.7182      1.00000
     21     -17.4394      1.00000
     22     -17.4213      1.00000
     23     -17.3350      1.00000
     24     -16.4701      1.00000
     25     -16.4599      1.00000
     26     -15.9662      1.00000
     27     -15.4094      1.00000
     28     -15.4085      1.00000
     29     -15.0945      1.00000
     30     -15.0915      1.00000
     31     -14.8508      1.00000
     32     -14.8389      1.00000
     33     -14.2943      1.00000
     34     -14.2514      1.00000
     35     -13.4411      1.00000
     36     -13.3981      1.00000
     37     -13.1738      1.00000
     38     -13.1725      1.00000
     39     -12.9815      1.00000
     40     -12.9727      1.00000
     41     -12.6095      1.00000
     42     -12.6075      1.00000
     43     -12.1931      1.00000
     44     -11.5789      1.00000
     45     -11.5385      1.00000
     46     -11.3128      1.00000
     47     -11.2829      1.00000
     48     -11.1383      1.00000
     49     -10.6899      1.00000
     50     -10.6631      1.00000
     51     -10.5429      1.00000
     52     -10.3188      1.00000
     53     -10.3112      1.00000
     54     -10.1726      1.00000
     55     -10.1216      1.00000
     56     -10.1081      1.00000
     57      -9.8082      1.00000
     58      -9.7491      1.00000
     59      -9.7488      1.00000
     60      -9.6992      1.00000
     61      -9.6956      1.00000
     62      -9.6446      1.00000
     63      -9.3497      1.00000
     64      -9.3482      1.00000
     65      -9.3197      1.00000
     66      -9.0259      1.00000
     67      -8.9589      1.00000
     68      -8.9543      1.00000
     69      -8.7735      1.00000
     70      -8.5935      1.00000
     71      -8.5847      1.00000
     72      -8.4204      1.00000
     73      -8.3479      1.00000
     74      -8.3213      1.00000
     75      -8.2999      1.00000
     76      -8.2658      1.00000
     77      -8.2547      1.00000
     78      -8.2407      1.00000
     79      -7.9245      1.00000
     80      -7.7358      1.00000
     81      -7.3770      1.00000
     82      -7.3475      1.00000
     83      -7.3135      1.00000
     84      -7.2149      1.00000
     85      -7.1587      1.00000
     86      -7.0681      1.00000
     87      -6.9596      1.00000
     88      -6.9072      1.00000
     89      -6.6159      1.00000
     90      -6.5536      1.00000
     91      -6.2736      1.00000
     92      -5.9945      1.00000
     93      -5.9578      1.00000
     94      -5.6739      1.00000
     95      -5.6472      1.00000
     96      -5.3853      1.00000
     97      -5.3133      1.00000
     98      -5.2923      1.00000
     99      -5.2114      1.00000
    100      -5.1997      1.00000
    101      -4.5036      1.00000
    102      -4.3329      1.00000
    103      -3.9958      1.00000
    104      -3.8854      1.00000
    105      -3.7884      1.00000
    106      -3.4389      1.00000
    107      -2.0331      0.00000
    108      -1.8651      0.00000
    109      -1.2177      0.00000
    110      -1.1856      0.00000
    111      -1.0381      0.00000
    112      -0.7742      0.00000
    113      -0.6800      0.00000
    114      -0.6623      0.00000
    115      -0.6112      0.00000
    116      -0.1055      0.00000
    117       0.2206      0.00000
    118       0.2359      0.00000
    119       0.7535      0.00000
    120       0.9696      0.00000
    121       1.0693      0.00000
    122       1.2339      0.00000
    123       1.2447      0.00000
    124       1.3246      0.00000
    125       1.5657      0.00000
    126       1.5808      0.00000
    127       1.6773      0.00000
    128       1.7764      0.00000
    129       1.9227      0.00000
    130       1.9294      0.00000
    131       2.0850      0.00000
    132       2.2950      0.00000
    133       2.3369      0.00000
    134       2.3984      0.00000
    135       2.5123      0.00000
    136       2.6127      0.00000
    137       2.7675      0.00000
    138       2.8259      0.00000
    139       2.8270      0.00000
    140       2.8531      0.00000
    141       3.0298      0.00000
    142       3.0815      0.00000
    143       3.1254      0.00000
    144       3.1976      0.00000
    145       3.3554      0.00000
    146       3.3991      0.00000
    147       3.4820      0.00000
    148       3.5227      0.00000
    149       3.5781      0.00000
    150       3.5971      0.00000
    151       3.6215      0.00000
    152       3.7193      0.00000
    153       3.7230      0.00000
    154       3.7623      0.00000
    155       3.8157      0.00000
    156       3.8592      0.00000
    157       3.9967      0.00000
    158       4.0676      0.00000
    159       4.1483      0.00000
    160       4.1793      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4224      1.00000
      2     -21.5980      1.00000
      3     -21.4785      1.00000
      4     -21.4696      1.00000
      5     -21.4373      1.00000
      6     -21.4369      1.00000
      7     -21.4263      1.00000
      8     -19.7031      1.00000
      9     -19.6490      1.00000
     10     -19.6271      1.00000
     11     -19.6154      1.00000
     12     -19.6108      1.00000
     13     -19.6091      1.00000
     14     -18.7863      1.00000
     15     -18.7508      1.00000
     16     -18.7327      1.00000
     17     -18.7233      1.00000
     18     -18.7151      1.00000
     19     -18.7110      1.00000
     20     -16.6332      1.00000
     21     -16.6065      1.00000
     22     -16.5833      1.00000
     23     -16.5805      1.00000
     24     -16.5518      1.00000
     25     -16.5510      1.00000
     26     -15.6103      1.00000
     27     -15.5992      1.00000
     28     -15.5962      1.00000
     29     -15.5628      1.00000
     30     -15.5612      1.00000
     31     -15.5586      1.00000
     32     -14.2566      1.00000
     33     -14.2482      1.00000
     34     -14.2395      1.00000
     35     -14.2341      1.00000
     36     -14.2201      1.00000
     37     -14.2169      1.00000
     38     -11.9031      1.00000
     39     -11.8774      1.00000
     40     -11.8667      1.00000
     41     -11.8642      1.00000
     42     -11.8441      1.00000
     43     -11.8441      1.00000
     44     -11.7684      1.00000
     45     -11.7677      1.00000
     46     -11.7319      1.00000
     47     -11.7263      1.00000
     48     -11.7246      1.00000
     49     -11.7186      1.00000
     50     -10.6706      1.00000
     51     -10.3853      1.00000
     52     -10.3815      1.00000
     53     -10.3750      1.00000
     54     -10.3656      1.00000
     55     -10.3543      1.00000
     56     -10.3514      1.00000
     57      -9.8991      1.00000
     58      -9.4470      1.00000
     59      -9.4038      1.00000
     60      -9.3606      1.00000
     61      -9.3597      1.00000
     62      -9.3518      1.00000
     63      -9.1390      1.00000
     64      -9.1235      1.00000
     65      -9.1190      1.00000
     66      -9.0843      1.00000
     67      -9.0692      1.00000
     68      -9.0688      1.00000
     69      -9.0673      1.00000
     70      -9.0658      1.00000
     71      -9.0620      1.00000
     72      -9.0389      1.00000
     73      -9.0275      1.00000
     74      -9.0246      1.00000
     75      -8.1376      1.00000
     76      -7.7324      1.00000
     77      -7.4693      1.00000
     78      -7.4640      1.00000
     79      -7.4541      1.00000
     80      -7.4337      1.00000
     81      -7.4219      1.00000
     82      -7.4065      1.00000
     83      -7.3109      1.00000
     84      -7.2686      1.00000
     85      -7.2562      1.00000
     86      -7.2476      1.00000
     87      -7.1569      1.00000
     88      -7.0458      1.00000
     89      -6.4462      1.00000
     90      -6.4143      1.00000
     91      -6.3992      1.00000
     92      -6.3622      1.00000
     93      -6.3524      1.00000
     94      -6.3396      1.00000
     95      -5.9610      1.00000
     96      -5.9553      1.00000
     97      -4.7965      1.00000
     98      -4.5400      1.00000
     99      -4.4804      1.00000
    100      -4.4717      1.00000
    101      -4.3819      1.00000
    102      -4.3817      1.00000
    103      -4.2663      1.00000
    104      -4.1857      1.00000
    105      -3.7349      1.00000
    106      -3.4716      1.00000
    107      -1.8598      0.00000
    108      -1.6737      0.00000
    109      -1.6252      0.00000
    110      -1.5931      0.00000
    111      -1.5779      0.00000
    112      -1.5771      0.00000
    113      -0.4284      0.00000
    114       0.1414      0.00000
    115       0.1898      0.00000
    116       0.2527      0.00000
    117       0.2663      0.00000
    118       0.2686      0.00000
    119       0.4713      0.00000
    120       0.5323      0.00000
    121       1.2289      0.00000
    122       1.2828      0.00000
    123       1.5011      0.00000
    124       1.7577      0.00000
    125       1.7599      0.00000
    126       1.7602      0.00000
    127       1.8008      0.00000
    128       1.8234      0.00000
    129       1.9549      0.00000
    130       1.9614      0.00000
    131       1.9708      0.00000
    132       1.9858      0.00000
    133       1.9930      0.00000
    134       2.0610      0.00000
    135       2.2231      0.00000
    136       2.3301      0.00000
    137       2.5756      0.00000
    138       2.5779      0.00000
    139       2.5996      0.00000
    140       2.6848      0.00000
    141       2.9201      0.00000
    142       3.0411      0.00000
    143       3.0630      0.00000
    144       3.0852      0.00000
    145       3.0985      0.00000
    146       3.1003      0.00000
    147       3.1050      0.00000
    148       3.2487      0.00000
    149       3.4323      0.00000
    150       3.4852      0.00000
    151       3.8126      0.00000
    152       3.9357      0.00000
    153       3.9379      0.00000
    154       3.9419      0.00000
    155       3.9474      0.00000
    156       3.9864      0.00000
    157       4.1692      0.00000
    158       4.2504      0.00000
    159       4.2538      0.00000
    160       4.2718      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3858      1.00000
      2     -21.8267      1.00000
      3     -21.6343      1.00000
      4     -21.6073      1.00000
      5     -21.2709      1.00000
      6     -21.2322      1.00000
      7     -21.0538      1.00000
      8     -20.1642      1.00000
      9     -20.1268      1.00000
     10     -19.6052      1.00000
     11     -19.5943      1.00000
     12     -19.4146      1.00000
     13     -19.0865      1.00000
     14     -19.0566      1.00000
     15     -19.0467      1.00000
     16     -19.0390      1.00000
     17     -18.3581      1.00000
     18     -18.3493      1.00000
     19     -18.0172      1.00000
     20     -17.0672      1.00000
     21     -17.0290      1.00000
     22     -16.9430      1.00000
     23     -16.9370      1.00000
     24     -16.4660      1.00000
     25     -16.4605      1.00000
     26     -15.6101      1.00000
     27     -15.6048      1.00000
     28     -15.2502      1.00000
     29     -15.2419      1.00000
     30     -15.1830      1.00000
     31     -15.0960      1.00000
     32     -15.0697      1.00000
     33     -14.6962      1.00000
     34     -14.6934      1.00000
     35     -13.7249      1.00000
     36     -13.7209      1.00000
     37     -13.2349      1.00000
     38     -12.6131      1.00000
     39     -12.5834      1.00000
     40     -12.4528      1.00000
     41     -12.4477      1.00000
     42     -12.1084      1.00000
     43     -12.1025      1.00000
     44     -11.7137      1.00000
     45     -11.6829      1.00000
     46     -11.2330      1.00000
     47     -11.2253      1.00000
     48     -11.0167      1.00000
     49     -11.0080      1.00000
     50     -10.9236      1.00000
     51     -10.9023      1.00000
     52     -10.6252      1.00000
     53     -10.1548      1.00000
     54     -10.1481      1.00000
     55     -10.0916      1.00000
     56      -9.9949      1.00000
     57      -9.7000      1.00000
     58      -9.6944      1.00000
     59      -9.6538      1.00000
     60      -9.5902      1.00000
     61      -9.5740      1.00000
     62      -9.5573      1.00000
     63      -9.3079      1.00000
     64      -9.3013      1.00000
     65      -9.2718      1.00000
     66      -9.2331      1.00000
     67      -9.1344      1.00000
     68      -9.1169      1.00000
     69      -9.1079      1.00000
     70      -8.9379      1.00000
     71      -8.8689      1.00000
     72      -8.6033      1.00000
     73      -8.5893      1.00000
     74      -8.2390      1.00000
     75      -8.1014      1.00000
     76      -7.9081      1.00000
     77      -7.8613      1.00000
     78      -7.7720      1.00000
     79      -7.7563      1.00000
     80      -7.6958      1.00000
     81      -7.5533      1.00000
     82      -7.3393      1.00000
     83      -7.3223      1.00000
     84      -7.2043      1.00000
     85      -7.1210      1.00000
     86      -7.0322      1.00000
     87      -7.0103      1.00000
     88      -6.7034      1.00000
     89      -6.6777      1.00000
     90      -6.6407      1.00000
     91      -6.5966      1.00000
     92      -6.1173      1.00000
     93      -6.0608      1.00000
     94      -6.0298      1.00000
     95      -6.0101      1.00000
     96      -5.7825      1.00000
     97      -4.9685      1.00000
     98      -4.8301      1.00000
     99      -4.7459      1.00000
    100      -4.6790      1.00000
    101      -4.4625      1.00000
    102      -4.2007      1.00000
    103      -4.1698      1.00000
    104      -4.1274      1.00000
    105      -3.7255      1.00000
    106      -3.4815      1.00000
    107      -1.8702      0.00000
    108      -1.8114      0.00000
    109      -1.5242      0.00000
    110      -1.3792      0.00000
    111      -1.3236      0.00000
    112      -1.2901      0.00000
    113      -0.7210      0.00000
    114      -0.3776      0.00000
    115      -0.2519      0.00000
    116       0.0328      0.00000
    117       0.5416      0.00000
    118       0.6941      0.00000
    119       0.7420      0.00000
    120       1.0419      0.00000
    121       1.0962      0.00000
    122       1.1400      0.00000
    123       1.2209      0.00000
    124       1.3640      0.00000
    125       1.5032      0.00000
    126       1.5562      0.00000
    127       1.7024      0.00000
    128       1.8072      0.00000
    129       1.8537      0.00000
    130       1.8757      0.00000
    131       2.0804      0.00000
    132       2.1638      0.00000
    133       2.2238      0.00000
    134       2.2809      0.00000
    135       2.4907      0.00000
    136       2.5611      0.00000
    137       2.6379      0.00000
    138       2.7613      0.00000
    139       2.7839      0.00000
    140       2.8206      0.00000
    141       2.8592      0.00000
    142       2.8796      0.00000
    143       2.9359      0.00000
    144       3.0479      0.00000
    145       3.1323      0.00000
    146       3.2876      0.00000
    147       3.3814      0.00000
    148       3.4279      0.00000
    149       3.4499      0.00000
    150       3.5995      0.00000
    151       3.6339      0.00000
    152       3.6564      0.00000
    153       3.6996      0.00000
    154       3.8861      0.00000
    155       3.9365      0.00000
    156       3.9941      0.00000
    157       4.0447      0.00000
    158       4.2147      0.00000
    159       4.2349      0.00000
    160       4.2516      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2797      1.00000
      2     -22.0744      1.00000
      3     -21.7127      1.00000
      4     -21.6817      1.00000
      5     -20.9757      1.00000
      6     -20.9359      1.00000
      7     -20.6082      1.00000
      8     -20.5723      1.00000
      9     -20.5662      1.00000
     10     -20.0298      1.00000
     11     -19.5001      1.00000
     12     -19.4884      1.00000
     13     -19.3037      1.00000
     14     -19.2984      1.00000
     15     -18.4450      1.00000
     16     -18.4090      1.00000
     17     -17.9201      1.00000
     18     -17.9100      1.00000
     19     -17.7593      1.00000
     20     -17.7242      1.00000
     21     -17.4342      1.00000
     22     -17.4257      1.00000
     23     -17.3396      1.00000
     24     -16.4604      1.00000
     25     -16.4590      1.00000
     26     -15.9647      1.00000
     27     -15.4104      1.00000
     28     -15.4064      1.00000
     29     -15.0931      1.00000
     30     -15.0908      1.00000
     31     -14.8537      1.00000
     32     -14.8462      1.00000
     33     -14.2888      1.00000
     34     -14.2565      1.00000
     35     -13.4355      1.00000
     36     -13.4035      1.00000
     37     -13.1762      1.00000
     38     -13.1711      1.00000
     39     -12.9790      1.00000
     40     -12.9741      1.00000
     41     -12.6124      1.00000
     42     -12.6069      1.00000
     43     -12.1972      1.00000
     44     -11.5730      1.00000
     45     -11.5394      1.00000
     46     -11.3072      1.00000
     47     -11.2845      1.00000
     48     -11.1417      1.00000
     49     -10.6728      1.00000
     50     -10.6596      1.00000
     51     -10.5477      1.00000
     52     -10.3239      1.00000
     53     -10.3149      1.00000
     54     -10.1681      1.00000
     55     -10.1147      1.00000
     56     -10.1093      1.00000
     57      -9.7950      1.00000
     58      -9.7655      1.00000
     59      -9.7487      1.00000
     60      -9.6993      1.00000
     61      -9.6964      1.00000
     62      -9.6594      1.00000
     63      -9.3558      1.00000
     64      -9.3480      1.00000
     65      -9.3122      1.00000
     66      -9.0381      1.00000
     67      -8.9629      1.00000
     68      -8.9474      1.00000
     69      -8.7969      1.00000
     70      -8.5911      1.00000
     71      -8.5569      1.00000
     72      -8.3957      1.00000
     73      -8.3633      1.00000
     74      -8.3235      1.00000
     75      -8.3059      1.00000
     76      -8.2588      1.00000
     77      -8.2552      1.00000
     78      -8.2339      1.00000
     79      -7.9081      1.00000
     80      -7.6521      1.00000
     81      -7.5430      1.00000
     82      -7.3862      1.00000
     83      -7.3493      1.00000
     84      -7.2319      1.00000
     85      -7.0975      1.00000
     86      -7.0368      1.00000
     87      -6.9339      1.00000
     88      -6.8462      1.00000
     89      -6.6106      1.00000
     90      -6.5601      1.00000
     91      -6.2680      1.00000
     92      -6.0420      1.00000
     93      -5.9508      1.00000
     94      -5.6618      1.00000
     95      -5.6212      1.00000
     96      -5.4603      1.00000
     97      -5.3190      1.00000
     98      -5.2782      1.00000
     99      -5.2138      1.00000
    100      -5.1927      1.00000
    101      -4.4997      1.00000
    102      -4.2044      1.00000
    103      -4.0552      1.00000
    104      -3.9885      1.00000
    105      -3.6913      1.00000
    106      -3.4916      1.00000
    107      -1.9468      0.00000
    108      -1.8992      0.00000
    109      -1.3371      0.00000
    110      -1.0868      0.00000
    111      -1.0600      0.00000
    112      -0.8020      0.00000
    113      -0.6792      0.00000
    114      -0.6490      0.00000
    115      -0.6095      0.00000
    116      -0.1111      0.00000
    117       0.2126      0.00000
    118       0.3246      0.00000
    119       0.6802      0.00000
    120       0.8729      0.00000
    121       1.1195      0.00000
    122       1.1947      0.00000
    123       1.3133      0.00000
    124       1.4030      0.00000
    125       1.5464      0.00000
    126       1.5703      0.00000
    127       1.6584      0.00000
    128       1.7942      0.00000
    129       1.8547      0.00000
    130       2.0325      0.00000
    131       2.1196      0.00000
    132       2.3233      0.00000
    133       2.3545      0.00000
    134       2.3742      0.00000
    135       2.5162      0.00000
    136       2.6156      0.00000
    137       2.7106      0.00000
    138       2.7577      0.00000
    139       2.8246      0.00000
    140       2.8672      0.00000
    141       3.0304      0.00000
    142       3.0396      0.00000
    143       3.1378      0.00000
    144       3.2429      0.00000
    145       3.3387      0.00000
    146       3.3951      0.00000
    147       3.4093      0.00000
    148       3.5543      0.00000
    149       3.5681      0.00000
    150       3.5789      0.00000
    151       3.6450      0.00000
    152       3.6559      0.00000
    153       3.7615      0.00000
    154       3.7824      0.00000
    155       3.8040      0.00000
    156       3.8739      0.00000
    157       3.8992      0.00000
    158       3.9696      0.00000
    159       4.1883      0.00000
    160       4.2076      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3137      1.00000
      2     -21.9589      1.00000
      3     -21.8904      1.00000
      4     -21.3770      1.00000
      5     -21.3485      1.00000
      6     -20.8365      1.00000
      7     -20.7716      1.00000
      8     -20.6214      1.00000
      9     -20.0740      1.00000
     10     -20.0686      1.00000
     11     -19.7137      1.00000
     12     -19.6899      1.00000
     13     -18.9934      1.00000
     14     -18.9878      1.00000
     15     -18.6369      1.00000
     16     -18.6214      1.00000
     17     -18.4605      1.00000
     18     -17.6733      1.00000
     19     -17.6238      1.00000
     20     -17.6208      1.00000
     21     -17.5791      1.00000
     22     -17.1239      1.00000
     23     -17.1028      1.00000
     24     -16.9590      1.00000
     25     -15.9992      1.00000
     26     -15.9252      1.00000
     27     -15.5836      1.00000
     28     -15.5835      1.00000
     29     -15.2847      1.00000
     30     -14.8617      1.00000
     31     -14.8349      1.00000
     32     -14.5784      1.00000
     33     -14.5367      1.00000
     34     -14.1651      1.00000
     35     -14.1513      1.00000
     36     -13.1468      1.00000
     37     -13.0989      1.00000
     38     -13.0290      1.00000
     39     -13.0197      1.00000
     40     -12.7084      1.00000
     41     -12.7046      1.00000
     42     -12.3380      1.00000
     43     -12.3067      1.00000
     44     -11.6323      1.00000
     45     -11.6194      1.00000
     46     -11.5688      1.00000
     47     -10.9463      1.00000
     48     -10.9132      1.00000
     49     -10.6292      1.00000
     50     -10.6243      1.00000
     51     -10.5448      1.00000
     52     -10.4964      1.00000
     53     -10.4956      1.00000
     54     -10.4396      1.00000
     55     -10.3614      1.00000
     56     -10.0961      1.00000
     57      -9.9013      1.00000
     58      -9.6098      1.00000
     59      -9.5577      1.00000
     60      -9.4504      1.00000
     61      -9.4093      1.00000
     62      -9.4025      1.00000
     63      -9.3779      1.00000
     64      -9.3773      1.00000
     65      -9.2845      1.00000
     66      -9.1654      1.00000
     67      -9.1405      1.00000
     68      -9.1121      1.00000
     69      -8.8611      1.00000
     70      -8.8541      1.00000
     71      -8.8140      1.00000
     72      -8.5953      1.00000
     73      -8.4788      1.00000
     74      -8.1966      1.00000
     75      -8.1608      1.00000
     76      -8.0125      1.00000
     77      -7.9564      1.00000
     78      -7.8517      1.00000
     79      -7.8416      1.00000
     80      -7.7059      1.00000
     81      -7.6966      1.00000
     82      -7.6242      1.00000
     83      -7.4447      1.00000
     84      -7.3053      1.00000
     85      -7.2478      1.00000
     86      -6.9048      1.00000
     87      -6.8911      1.00000
     88      -6.5882      1.00000
     89      -6.5498      1.00000
     90      -6.4088      1.00000
     91      -6.2520      1.00000
     92      -6.2314      1.00000
     93      -6.2023      1.00000
     94      -6.0223      1.00000
     95      -5.5485      1.00000
     96      -5.4879      1.00000
     97      -5.3484      1.00000
     98      -5.2198      1.00000
     99      -4.9782      1.00000
    100      -4.7281      1.00000
    101      -4.6761      1.00000
    102      -4.3835      1.00000
    103      -4.1998      1.00000
    104      -3.8646      1.00000
    105      -3.5458      1.00000
    106      -3.5029      1.00000
    107      -2.2587      0.00000
    108      -1.4543      0.00000
    109      -1.3735      0.00000
    110      -1.2438      0.00000
    111      -1.0987      0.00000
    112      -0.9473      0.00000
    113      -0.8659      0.00000
    114      -0.8057      0.00000
    115      -0.1423      0.00000
    116       0.1075      0.00000
    117       0.2395      0.00000
    118       0.3739      0.00000
    119       0.6374      0.00000
    120       0.8307      0.00000
    121       0.9327      0.00000
    122       1.0502      0.00000
    123       1.2186      0.00000
    124       1.4304      0.00000
    125       1.5259      0.00000
    126       1.7617      0.00000
    127       1.7837      0.00000
    128       1.8581      0.00000
    129       1.9422      0.00000
    130       2.0300      0.00000
    131       2.1521      0.00000
    132       2.1818      0.00000
    133       2.3889      0.00000
    134       2.4610      0.00000
    135       2.5298      0.00000
    136       2.6005      0.00000
    137       2.6342      0.00000
    138       2.6791      0.00000
    139       2.7595      0.00000
    140       2.8080      0.00000
    141       2.9260      0.00000
    142       3.0613      0.00000
    143       3.1749      0.00000
    144       3.2063      0.00000
    145       3.2465      0.00000
    146       3.3084      0.00000
    147       3.3100      0.00000
    148       3.4447      0.00000
    149       3.4727      0.00000
    150       3.6819      0.00000
    151       3.6890      0.00000
    152       3.7086      0.00000
    153       3.8421      0.00000
    154       3.8934      0.00000
    155       3.9215      0.00000
    156       3.9695      0.00000
    157       4.0048      0.00000
    158       4.0227      0.00000
    159       4.0342      0.00000
    160       4.0558      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2064      1.00000
      2     -22.1142      1.00000
      3     -21.9533      1.00000
      4     -21.4009      1.00000
      5     -21.0462      1.00000
      6     -21.0111      1.00000
      7     -20.4971      1.00000
      8     -20.4585      1.00000
      9     -20.2920      1.00000
     10     -20.2730      1.00000
     11     -19.9544      1.00000
     12     -19.8887      1.00000
     13     -18.8794      1.00000
     14     -18.8108      1.00000
     15     -18.3502      1.00000
     16     -18.3049      1.00000
     17     -18.1506      1.00000
     18     -18.1335      1.00000
     19     -17.8244      1.00000
     20     -17.7875      1.00000
     21     -17.2503      1.00000
     22     -17.2391      1.00000
     23     -17.1639      1.00000
     24     -17.1303      1.00000
     25     -16.1076      1.00000
     26     -15.8818      1.00000
     27     -15.8675      1.00000
     28     -15.8322      1.00000
     29     -15.2355      1.00000
     30     -14.5521      1.00000
     31     -14.5249      1.00000
     32     -14.2793      1.00000
     33     -13.9632      1.00000
     34     -13.9548      1.00000
     35     -13.8199      1.00000
     36     -13.8031      1.00000
     37     -13.6127      1.00000
     38     -13.5693      1.00000
     39     -13.3667      1.00000
     40     -12.6321      1.00000
     41     -12.1790      1.00000
     42     -12.1315      1.00000
     43     -12.0691      1.00000
     44     -12.0165      1.00000
     45     -11.6693      1.00000
     46     -11.6560      1.00000
     47     -11.1369      1.00000
     48     -11.1168      1.00000
     49     -10.7919      1.00000
     50     -10.7277      1.00000
     51     -10.5221      1.00000
     52     -10.2098      1.00000
     53     -10.2028      1.00000
     54     -10.1624      1.00000
     55     -10.0170      1.00000
     56     -10.0025      1.00000
     57      -9.9884      1.00000
     58      -9.8013      1.00000
     59      -9.7965      1.00000
     60      -9.7617      1.00000
     61      -9.7568      1.00000
     62      -9.4517      1.00000
     63      -9.4141      1.00000
     64      -9.0771      1.00000
     65      -9.0727      1.00000
     66      -9.0401      1.00000
     67      -8.9538      1.00000
     68      -8.8752      1.00000
     69      -8.7118      1.00000
     70      -8.6993      1.00000
     71      -8.5633      1.00000
     72      -8.5407      1.00000
     73      -8.4972      1.00000
     74      -8.4630      1.00000
     75      -8.4520      1.00000
     76      -8.2576      1.00000
     77      -8.1243      1.00000
     78      -8.0412      1.00000
     79      -7.9155      1.00000
     80      -7.8614      1.00000
     81      -7.6156      1.00000
     82      -7.5470      1.00000
     83      -7.4950      1.00000
     84      -7.2624      1.00000
     85      -6.9957      1.00000
     86      -6.9243      1.00000
     87      -6.8830      1.00000
     88      -6.5312      1.00000
     89      -6.4851      1.00000
     90      -6.4605      1.00000
     91      -6.4089      1.00000
     92      -5.9820      1.00000
     93      -5.8964      1.00000
     94      -5.7842      1.00000
     95      -5.7583      1.00000
     96      -5.4295      1.00000
     97      -5.3280      1.00000
     98      -5.2300      1.00000
     99      -5.2173      1.00000
    100      -5.1873      1.00000
    101      -4.6884      1.00000
    102      -4.4161      1.00000
    103      -4.2061      1.00000
    104      -3.8270      1.00000
    105      -3.5220      1.00000
    106      -3.2747      1.00000
    107      -2.5331      0.00000
    108      -1.4560      0.00000
    109      -1.2692      0.00000
    110      -1.2048      0.00000
    111      -1.1740      0.00000
    112      -0.7207      0.00000
    113      -0.5059      0.00000
    114      -0.4143      0.00000
    115      -0.3412      0.00000
    116      -0.1486      0.00000
    117      -0.0056      0.00000
    118       0.1892      0.00000
    119       0.5569      0.00000
    120       0.6089      0.00000
    121       0.7841      0.00000
    122       0.8907      0.00000
    123       1.1165      0.00000
    124       1.4702      0.00000
    125       1.6163      0.00000
    126       1.8182      0.00000
    127       1.9064      0.00000
    128       2.0834      0.00000
    129       2.0959      0.00000
    130       2.1520      0.00000
    131       2.1873      0.00000
    132       2.2754      0.00000
    133       2.3326      0.00000
    134       2.4643      0.00000
    135       2.5701      0.00000
    136       2.6388      0.00000
    137       2.8349      0.00000
    138       2.8645      0.00000
    139       2.8813      0.00000
    140       2.9965      0.00000
    141       3.0063      0.00000
    142       3.1220      0.00000
    143       3.1787      0.00000
    144       3.2196      0.00000
    145       3.2597      0.00000
    146       3.2687      0.00000
    147       3.2922      0.00000
    148       3.3331      0.00000
    149       3.3996      0.00000
    150       3.4180      0.00000
    151       3.5212      0.00000
    152       3.6037      0.00000
    153       3.7055      0.00000
    154       3.7212      0.00000
    155       3.7484      0.00000
    156       3.8805      0.00000
    157       3.9177      0.00000
    158       3.9825      0.00000
    159       4.0986      0.00000
    160       4.1933      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3135      1.00000
      2     -21.9606      1.00000
      3     -21.8889      1.00000
      4     -21.3809      1.00000
      5     -21.3453      1.00000
      6     -20.8360      1.00000
      7     -20.7698      1.00000
      8     -20.6216      1.00000
      9     -20.0864      1.00000
     10     -20.0583      1.00000
     11     -19.7151      1.00000
     12     -19.6869      1.00000
     13     -19.0068      1.00000
     14     -18.9763      1.00000
     15     -18.6473      1.00000
     16     -18.6152      1.00000
     17     -18.4577      1.00000
     18     -17.6580      1.00000
     19     -17.6438      1.00000
     20     -17.6083      1.00000
     21     -17.5752      1.00000
     22     -17.1351      1.00000
     23     -17.0957      1.00000
     24     -16.9647      1.00000
     25     -16.0071      1.00000
     26     -15.9206      1.00000
     27     -15.5958      1.00000
     28     -15.5729      1.00000
     29     -15.2781      1.00000
     30     -14.8741      1.00000
     31     -14.8279      1.00000
     32     -14.5727      1.00000
     33     -14.5344      1.00000
     34     -14.1631      1.00000
     35     -14.1582      1.00000
     36     -13.1604      1.00000
     37     -13.0930      1.00000
     38     -13.0204      1.00000
     39     -13.0166      1.00000
     40     -12.7155      1.00000
     41     -12.6926      1.00000
     42     -12.3387      1.00000
     43     -12.3111      1.00000
     44     -11.6312      1.00000
     45     -11.6218      1.00000
     46     -11.5681      1.00000
     47     -10.9397      1.00000
     48     -10.9210      1.00000
     49     -10.6635      1.00000
     50     -10.5883      1.00000
     51     -10.5710      1.00000
     52     -10.5008      1.00000
     53     -10.4860      1.00000
     54     -10.4380      1.00000
     55     -10.3530      1.00000
     56     -10.1003      1.00000
     57      -9.8955      1.00000
     58      -9.6058      1.00000
     59      -9.5479      1.00000
     60      -9.4508      1.00000
     61      -9.4193      1.00000
     62      -9.4062      1.00000
     63      -9.3776      1.00000
     64      -9.3696      1.00000
     65      -9.2653      1.00000
     66      -9.1651      1.00000
     67      -9.1415      1.00000
     68      -9.1149      1.00000
     69      -8.8658      1.00000
     70      -8.8590      1.00000
     71      -8.8006      1.00000
     72      -8.5939      1.00000
     73      -8.5237      1.00000
     74      -8.1930      1.00000
     75      -8.1698      1.00000
     76      -8.0779      1.00000
     77      -7.8567      1.00000
     78      -7.8353      1.00000
     79      -7.8189      1.00000
     80      -7.7100      1.00000
     81      -7.6951      1.00000
     82      -7.6009      1.00000
     83      -7.5239      1.00000
     84      -7.3511      1.00000
     85      -7.1656      1.00000
     86      -6.9056      1.00000
     87      -6.8949      1.00000
     88      -6.5928      1.00000
     89      -6.5499      1.00000
     90      -6.4045      1.00000
     91      -6.3014      1.00000
     92      -6.2470      1.00000
     93      -6.2020      1.00000
     94      -6.0023      1.00000
     95      -5.5298      1.00000
     96      -5.4642      1.00000
     97      -5.3123      1.00000
     98      -5.2087      1.00000
     99      -5.0442      1.00000
    100      -4.7214      1.00000
    101      -4.6696      1.00000
    102      -4.4183      1.00000
    103      -4.1921      1.00000
    104      -3.8363      1.00000
    105      -3.6312      1.00000
    106      -3.4141      1.00000
    107      -2.2931      0.00000
    108      -1.5080      0.00000
    109      -1.2718      0.00000
    110      -1.2650      0.00000
    111      -1.0356      0.00000
    112      -0.9797      0.00000
    113      -0.8700      0.00000
    114      -0.8018      0.00000
    115      -0.2633      0.00000
    116       0.2012      0.00000
    117       0.2365      0.00000
    118       0.3551      0.00000
    119       0.6762      0.00000
    120       0.8899      0.00000
    121       0.9189      0.00000
    122       1.0288      0.00000
    123       1.1515      0.00000
    124       1.4935      0.00000
    125       1.5352      0.00000
    126       1.6915      0.00000
    127       1.7737      0.00000
    128       1.8248      0.00000
    129       1.9464      0.00000
    130       1.9661      0.00000
    131       2.1729      0.00000
    132       2.2347      0.00000
    133       2.3905      0.00000
    134       2.4663      0.00000
    135       2.5297      0.00000
    136       2.5936      0.00000
    137       2.6140      0.00000
    138       2.6819      0.00000
    139       2.7407      0.00000
    140       2.8338      0.00000
    141       3.0164      0.00000
    142       3.0606      0.00000
    143       3.1747      0.00000
    144       3.2341      0.00000
    145       3.2480      0.00000
    146       3.2815      0.00000
    147       3.3348      0.00000
    148       3.4272      0.00000
    149       3.4965      0.00000
    150       3.6761      0.00000
    151       3.7099      0.00000
    152       3.7174      0.00000
    153       3.8112      0.00000
    154       3.8758      0.00000
    155       3.9090      0.00000
    156       3.9631      0.00000
    157       3.9953      0.00000
    158       4.0342      0.00000
    159       4.0384      0.00000
    160       4.0803      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3857      1.00000
      2     -21.8268      1.00000
      3     -21.6376      1.00000
      4     -21.6036      1.00000
      5     -21.2752      1.00000
      6     -21.2289      1.00000
      7     -21.0529      1.00000
      8     -20.1677      1.00000
      9     -20.1224      1.00000
     10     -19.6142      1.00000
     11     -19.5887      1.00000
     12     -19.4121      1.00000
     13     -19.0911      1.00000
     14     -19.0534      1.00000
     15     -19.0492      1.00000
     16     -19.0362      1.00000
     17     -18.3644      1.00000
     18     -18.3450      1.00000
     19     -18.0133      1.00000
     20     -17.0690      1.00000
     21     -17.0210      1.00000
     22     -16.9477      1.00000
     23     -16.9341      1.00000
     24     -16.4740      1.00000
     25     -16.4621      1.00000
     26     -15.6076      1.00000
     27     -15.6072      1.00000
     28     -15.2474      1.00000
     29     -15.2356      1.00000
     30     -15.1875      1.00000
     31     -15.0978      1.00000
     32     -15.0655      1.00000
     33     -14.6970      1.00000
     34     -14.6961      1.00000
     35     -13.7237      1.00000
     36     -13.7236      1.00000
     37     -13.2316      1.00000
     38     -12.6216      1.00000
     39     -12.5784      1.00000
     40     -12.4511      1.00000
     41     -12.4458      1.00000
     42     -12.1040      1.00000
     43     -12.0992      1.00000
     44     -11.7212      1.00000
     45     -11.6832      1.00000
     46     -11.2442      1.00000
     47     -11.2244      1.00000
     48     -11.0142      1.00000
     49     -11.0026      1.00000
     50     -10.9265      1.00000
     51     -10.8983      1.00000
     52     -10.6313      1.00000
     53     -10.1691      1.00000
     54     -10.1465      1.00000
     55     -10.0824      1.00000
     56      -9.9869      1.00000
     57      -9.6937      1.00000
     58      -9.6866      1.00000
     59      -9.6685      1.00000
     60      -9.5923      1.00000
     61      -9.5681      1.00000
     62      -9.5512      1.00000
     63      -9.3097      1.00000
     64      -9.2969      1.00000
     65      -9.2798      1.00000
     66      -9.2448      1.00000
     67      -9.1200      1.00000
     68      -9.1093      1.00000
     69      -9.1080      1.00000
     70      -8.9371      1.00000
     71      -8.8770      1.00000
     72      -8.6054      1.00000
     73      -8.5870      1.00000
     74      -8.2718      1.00000
     75      -8.0982      1.00000
     76      -7.8695      1.00000
     77      -7.8420      1.00000
     78      -7.7900      1.00000
     79      -7.7633      1.00000
     80      -7.7536      1.00000
     81      -7.4390      1.00000
     82      -7.3321      1.00000
     83      -7.3208      1.00000
     84      -7.2647      1.00000
     85      -7.1662      1.00000
     86      -7.0173      1.00000
     87      -6.9850      1.00000
     88      -6.7163      1.00000
     89      -6.6919      1.00000
     90      -6.6301      1.00000
     91      -6.5892      1.00000
     92      -6.1146      1.00000
     93      -6.0590      1.00000
     94      -6.0441      1.00000
     95      -6.0298      1.00000
     96      -5.7465      1.00000
     97      -4.9687      1.00000
     98      -4.8374      1.00000
     99      -4.7081      1.00000
    100      -4.6725      1.00000
    101      -4.4785      1.00000
    102      -4.3468      1.00000
    103      -4.1118      1.00000
    104      -4.0550      1.00000
    105      -3.7506      1.00000
    106      -3.4600      1.00000
    107      -1.9491      0.00000
    108      -1.7730      0.00000
    109      -1.4816      0.00000
    110      -1.3573      0.00000
    111      -1.3384      0.00000
    112      -1.2940      0.00000
    113      -0.6797      0.00000
    114      -0.4722      0.00000
    115      -0.2379      0.00000
    116       0.0472      0.00000
    117       0.5714      0.00000
    118       0.6898      0.00000
    119       0.7650      0.00000
    120       1.0147      0.00000
    121       1.0947      0.00000
    122       1.1682      0.00000
    123       1.2415      0.00000
    124       1.3260      0.00000
    125       1.4150      0.00000
    126       1.5681      0.00000
    127       1.7548      0.00000
    128       1.8325      0.00000
    129       1.8563      0.00000
    130       1.8783      0.00000
    131       2.0335      0.00000
    132       2.1983      0.00000
    133       2.2071      0.00000
    134       2.2582      0.00000
    135       2.4631      0.00000
    136       2.5932      0.00000
    137       2.6388      0.00000
    138       2.7207      0.00000
    139       2.7781      0.00000
    140       2.8311      0.00000
    141       2.8368      0.00000
    142       2.8720      0.00000
    143       2.9414      0.00000
    144       3.0502      0.00000
    145       3.2836      0.00000
    146       3.3459      0.00000
    147       3.3962      0.00000
    148       3.4109      0.00000
    149       3.4120      0.00000
    150       3.5800      0.00000
    151       3.6429      0.00000
    152       3.6569      0.00000
    153       3.7134      0.00000
    154       3.8787      0.00000
    155       3.8984      0.00000
    156       3.9382      0.00000
    157       4.0847      0.00000
    158       4.1801      0.00000
    159       4.2329      0.00000
    160       4.2666      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2054      1.00000
      2     -22.1155      1.00000
      3     -21.9531      1.00000
      4     -21.4013      1.00000
      5     -21.0423      1.00000
      6     -21.0146      1.00000
      7     -20.4924      1.00000
      8     -20.4632      1.00000
      9     -20.2824      1.00000
     10     -20.2807      1.00000
     11     -19.9539      1.00000
     12     -19.8911      1.00000
     13     -18.8810      1.00000
     14     -18.8139      1.00000
     15     -18.3342      1.00000
     16     -18.3154      1.00000
     17     -18.1464      1.00000
     18     -18.1391      1.00000
     19     -17.8125      1.00000
     20     -17.7948      1.00000
     21     -17.2563      1.00000
     22     -17.2371      1.00000
     23     -17.1572      1.00000
     24     -17.1344      1.00000
     25     -16.1120      1.00000
     26     -15.8782      1.00000
     27     -15.8675      1.00000
     28     -15.8399      1.00000
     29     -15.2287      1.00000
     30     -14.5496      1.00000
     31     -14.5318      1.00000
     32     -14.2739      1.00000
     33     -13.9715      1.00000
     34     -13.9478      1.00000
     35     -13.8230      1.00000
     36     -13.8003      1.00000
     37     -13.6023      1.00000
     38     -13.5774      1.00000
     39     -13.3662      1.00000
     40     -12.6349      1.00000
     41     -12.1678      1.00000
     42     -12.1417      1.00000
     43     -12.0665      1.00000
     44     -12.0198      1.00000
     45     -11.6611      1.00000
     46     -11.6568      1.00000
     47     -11.1363      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7347      1.00000
     51     -10.5292      1.00000
     52     -10.2049      1.00000
     53     -10.1990      1.00000
     54     -10.1680      1.00000
     55     -10.0191      1.00000
     56      -9.9919      1.00000
     57      -9.9870      1.00000
     58      -9.8023      1.00000
     59      -9.7928      1.00000
     60      -9.7641      1.00000
     61      -9.7564      1.00000
     62      -9.4558      1.00000
     63      -9.4146      1.00000
     64      -9.0819      1.00000
     65      -9.0431      1.00000
     66      -9.0237      1.00000
     67      -8.9695      1.00000
     68      -8.8952      1.00000
     69      -8.7052      1.00000
     70      -8.6963      1.00000
     71      -8.5612      1.00000
     72      -8.5506      1.00000
     73      -8.4777      1.00000
     74      -8.4585      1.00000
     75      -8.4550      1.00000
     76      -8.3037      1.00000
     77      -8.0919      1.00000
     78      -8.0887      1.00000
     79      -7.9249      1.00000
     80      -7.8326      1.00000
     81      -7.5993      1.00000
     82      -7.5383      1.00000
     83      -7.4531      1.00000
     84      -7.3042      1.00000
     85      -6.9911      1.00000
     86      -6.9177      1.00000
     87      -6.8792      1.00000
     88      -6.5293      1.00000
     89      -6.5153      1.00000
     90      -6.4823      1.00000
     91      -6.4202      1.00000
     92      -5.9246      1.00000
     93      -5.9035      1.00000
     94      -5.7880      1.00000
     95      -5.7736      1.00000
     96      -5.3673      1.00000
     97      -5.3606      1.00000
     98      -5.2191      1.00000
     99      -5.2150      1.00000
    100      -5.1981      1.00000
    101      -4.7177      1.00000
    102      -4.4356      1.00000
    103      -4.1884      1.00000
    104      -3.8132      1.00000
    105      -3.5590      1.00000
    106      -3.2235      1.00000
    107      -2.5626      0.00000
    108      -1.4611      0.00000
    109      -1.2689      0.00000
    110      -1.1874      0.00000
    111      -1.1859      0.00000
    112      -0.6462      0.00000
    113      -0.5545      0.00000
    114      -0.4166      0.00000
    115      -0.3502      0.00000
    116      -0.0803      0.00000
    117      -0.0661      0.00000
    118       0.1234      0.00000
    119       0.5899      0.00000
    120       0.6220      0.00000
    121       0.8395      0.00000
    122       0.9699      0.00000
    123       0.9898      0.00000
    124       1.4783      0.00000
    125       1.6633      0.00000
    126       1.7320      0.00000
    127       1.8307      0.00000
    128       2.0849      0.00000
    129       2.1473      0.00000
    130       2.1813      0.00000
    131       2.2060      0.00000
    132       2.2522      0.00000
    133       2.3451      0.00000
    134       2.4794      0.00000
    135       2.5092      0.00000
    136       2.6417      0.00000
    137       2.8501      0.00000
    138       2.8540      0.00000
    139       2.9359      0.00000
    140       2.9846      0.00000
    141       3.0163      0.00000
    142       3.1190      0.00000
    143       3.1926      0.00000
    144       3.2295      0.00000
    145       3.2310      0.00000
    146       3.2688      0.00000
    147       3.2929      0.00000
    148       3.3402      0.00000
    149       3.3888      0.00000
    150       3.5239      0.00000
    151       3.5457      0.00000
    152       3.6252      0.00000
    153       3.6394      0.00000
    154       3.7010      0.00000
    155       3.7200      0.00000
    156       3.8817      0.00000
    157       3.9377      0.00000
    158       4.0095      0.00000
    159       4.0452      0.00000
    160       4.1530      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2792      1.00000
      2     -22.0749      1.00000
      3     -21.7164      1.00000
      4     -21.6781      1.00000
      5     -20.9790      1.00000
      6     -20.9321      1.00000
      7     -20.6076      1.00000
      8     -20.5755      1.00000
      9     -20.5627      1.00000
     10     -20.0286      1.00000
     11     -19.5106      1.00000
     12     -19.4812      1.00000
     13     -19.3090      1.00000
     14     -19.2962      1.00000
     15     -18.4460      1.00000
     16     -18.4036      1.00000
     17     -17.9251      1.00000
     18     -17.9052      1.00000
     19     -17.7624      1.00000
     20     -17.7182      1.00000
     21     -17.4394      1.00000
     22     -17.4213      1.00000
     23     -17.3350      1.00000
     24     -16.4701      1.00000
     25     -16.4599      1.00000
     26     -15.9662      1.00000
     27     -15.4094      1.00000
     28     -15.4085      1.00000
     29     -15.0945      1.00000
     30     -15.0915      1.00000
     31     -14.8508      1.00000
     32     -14.8389      1.00000
     33     -14.2943      1.00000
     34     -14.2514      1.00000
     35     -13.4411      1.00000
     36     -13.3981      1.00000
     37     -13.1738      1.00000
     38     -13.1725      1.00000
     39     -12.9815      1.00000
     40     -12.9727      1.00000
     41     -12.6095      1.00000
     42     -12.6075      1.00000
     43     -12.1931      1.00000
     44     -11.5789      1.00000
     45     -11.5385      1.00000
     46     -11.3128      1.00000
     47     -11.2829      1.00000
     48     -11.1383      1.00000
     49     -10.6899      1.00000
     50     -10.6631      1.00000
     51     -10.5429      1.00000
     52     -10.3188      1.00000
     53     -10.3112      1.00000
     54     -10.1726      1.00000
     55     -10.1216      1.00000
     56     -10.1081      1.00000
     57      -9.8082      1.00000
     58      -9.7491      1.00000
     59      -9.7488      1.00000
     60      -9.6992      1.00000
     61      -9.6956      1.00000
     62      -9.6446      1.00000
     63      -9.3497      1.00000
     64      -9.3482      1.00000
     65      -9.3197      1.00000
     66      -9.0259      1.00000
     67      -8.9589      1.00000
     68      -8.9543      1.00000
     69      -8.7735      1.00000
     70      -8.5935      1.00000
     71      -8.5847      1.00000
     72      -8.4204      1.00000
     73      -8.3479      1.00000
     74      -8.3213      1.00000
     75      -8.2999      1.00000
     76      -8.2658      1.00000
     77      -8.2547      1.00000
     78      -8.2407      1.00000
     79      -7.9245      1.00000
     80      -7.7358      1.00000
     81      -7.3770      1.00000
     82      -7.3475      1.00000
     83      -7.3135      1.00000
     84      -7.2149      1.00000
     85      -7.1587      1.00000
     86      -7.0681      1.00000
     87      -6.9596      1.00000
     88      -6.9072      1.00000
     89      -6.6159      1.00000
     90      -6.5536      1.00000
     91      -6.2736      1.00000
     92      -5.9945      1.00000
     93      -5.9578      1.00000
     94      -5.6739      1.00000
     95      -5.6472      1.00000
     96      -5.3853      1.00000
     97      -5.3133      1.00000
     98      -5.2923      1.00000
     99      -5.2114      1.00000
    100      -5.1997      1.00000
    101      -4.5036      1.00000
    102      -4.3329      1.00000
    103      -3.9958      1.00000
    104      -3.8854      1.00000
    105      -3.7884      1.00000
    106      -3.4389      1.00000
    107      -2.0331      0.00000
    108      -1.8651      0.00000
    109      -1.2177      0.00000
    110      -1.1856      0.00000
    111      -1.0381      0.00000
    112      -0.7742      0.00000
    113      -0.6800      0.00000
    114      -0.6623      0.00000
    115      -0.6112      0.00000
    116      -0.1055      0.00000
    117       0.2206      0.00000
    118       0.2359      0.00000
    119       0.7535      0.00000
    120       0.9696      0.00000
    121       1.0693      0.00000
    122       1.2339      0.00000
    123       1.2447      0.00000
    124       1.3246      0.00000
    125       1.5657      0.00000
    126       1.5808      0.00000
    127       1.6773      0.00000
    128       1.7764      0.00000
    129       1.9227      0.00000
    130       1.9294      0.00000
    131       2.0850      0.00000
    132       2.2950      0.00000
    133       2.3369      0.00000
    134       2.3984      0.00000
    135       2.5123      0.00000
    136       2.6127      0.00000
    137       2.7675      0.00000
    138       2.8259      0.00000
    139       2.8270      0.00000
    140       2.8531      0.00000
    141       3.0298      0.00000
    142       3.0815      0.00000
    143       3.1254      0.00000
    144       3.1976      0.00000
    145       3.3554      0.00000
    146       3.3991      0.00000
    147       3.4820      0.00000
    148       3.5227      0.00000
    149       3.5781      0.00000
    150       3.5971      0.00000
    151       3.6215      0.00000
    152       3.7193      0.00000
    153       3.7230      0.00000
    154       3.7624      0.00000
    155       3.8156      0.00000
    156       3.8592      0.00000
    157       3.9967      0.00000
    158       4.0676      0.00000
    159       4.1483      0.00000
    160       4.1793      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0434   -7.3962    4.1996   -1.2767   -0.2385   17.5995    0.1402   -0.5295    0.6316   -0.4646
x    -3.0916   -0.0372   -0.0632    0.0619   -0.0109   -2.9777   -0.0100   -0.0068    0.0048    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0002   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0434    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0005   -0.0942   -0.0089    0.0373    0.0391
y    -0.0451   -3.2442   -0.5414   -0.1643   -1.1936   -0.6059
z   204.0434    1.1066   -0.3117    0.0491    0.0205    0.0868   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1125    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7826
z    -0.2195    0.2318   -0.0553    0.0613   -0.0903    0.0008
 total charge-density along one line
x   212.0000  -10.2269    6.1480   -2.0869   -0.4743   19.5189   -1.0044    0.4785   -0.0483   -0.1244
x    -2.6451   -0.0275   -0.0610    0.0848   -0.0546   -2.2241   -0.0244   -0.0022    0.0051    0.0021
x    -0.0894    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2269    6.1480   -2.0869   -0.4743   19.5189   -1.0044    0.4785   -0.0483   -0.1244
y    -2.6451   -0.0275   -0.0610    0.0848   -0.0546   -2.2241   -0.0244   -0.0022    0.0051    0.0021
y    -0.0894    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3208  188.8882 -170.1427  154.0599 -140.5146  126.8187 -111.4390   95.0815  -79.2716
z    64.8899  -52.0921   40.9919  -31.9239   25.0507  -19.9826   15.9522  -12.3549    9.0794   -6.3540
z     4.3541   -2.9888    2.0054   -1.2152    0.5867   -0.1566   -0.0922    0.2474   -0.3864    0.5124
z    -0.5771    0.5536   -0.4734    0.3958   -0.3540    0.3358   -0.3105    0.2652   -0.2125    0.1704
z    -0.1438    0.1247   -0.1045    0.0829   -0.0653    0.0546   -0.0484    0.0427   -0.0357    0.0289
z    -0.0241    0.0211   -0.0187    0.0159   -0.0130    0.0103   -0.0083    0.0065   -0.0048    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.057   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.304   0.000   0.028  -0.193  -0.030   0.000   0.096   0.000   0.000
  0.000   0.212   0.000   1.567   0.000   0.000  -0.310   0.000   0.628   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.057   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.132   0.000  -0.034  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.304   0.000   0.037  -0.132   0.000   0.415   0.000   0.077   0.587  -0.238   0.000   0.063   0.000   0.000
  0.000  -0.310   0.000   0.628   0.000   0.000  -0.191   0.000   0.376   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.587   0.000   0.163   1.368  -0.419   0.000   0.284   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.096   0.000   0.026  -0.093   0.000   0.063   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.005   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.031   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.783   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.639
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.639
 42        0.864   1.774   0.000   2.638
 43        0.864   1.783   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.863  89.401   8.031 142.294
 


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


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


    CHARGE:  VPU time   90.96: CPU time   45.83
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  362.66: CPU time  181.66
    STRESS:  VPU time 1090.58: CPU time  548.10
    FORCOR:  VPU time    7.38: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force = 0.1057822E-04[-0.291E-04, 0.502E-04]  d Energy = 0.1160597E-03-0.105E-03
 d Force =-0.2912221E+00[-0.291E+00,-0.291E+00]  d Ewald  = 0.1135025E+02-0.116E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726574 eV

  energy  without entropy=     -471.726574  energy(sigma->0) =     -471.726574
 

  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    40791.22  40749.61 -47487.93    -36.03      0.00      0.00
  Hartree  40217.18  40201.06 -39475.03    -13.96      0.00      0.00
  E(xc)     -779.37   -779.66   -807.31     -0.25      0.00      0.00
  Local   -83292.54 -83243.81  84277.85     42.20      0.00      0.00
  n-local   -216.76   -215.58   -203.44      0.74      0.00      0.00
  augment     20.07     22.06     17.81      1.72      0.00      0.00
  Kinetic   3162.07   3175.36   3583.41      3.16      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.47     -0.77     -0.71     -0.26      0.00      0.00
  in kB       -0.29     -0.47     -0.43     -0.16      0.00      0.00
  external pressure =       -0.40 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
    12.346832550  0.001955145  0.000000000     0.080985031  0.046739700  0.000000000
    -6.171729712 10.693644206  0.000000000    -0.000014807  0.093504945  0.000000000
     0.000000000  0.000000000 19.978551153     0.000000000  0.000000000  0.050053680

  length of vectors
    12.346832705 12.346832551 19.978551153     0.093504945  0.093504947  0.050053680


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.345E-05 -.495E-04 -.950E+03   0.420E-05 -.275E-04 0.959E+03   0.381E-20 -.848E-21 -.867E+01   0.574E-07 -.366E-07 -.900E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.889E+00 -.253E+01   -.138E-02 0.798E-03 -.889E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.889E+00 -.253E+01   0.138E-02 -.798E-03 -.889E-03
   -.201E+01 0.116E+01 0.136E+02   0.201E+01 -.116E+01 -.135E+02   0.636E-03 -.367E-03 -.342E-01   0.331E-02 -.191E-02 -.295E-02
   0.621E+01 0.685E+01 0.164E+02   -.621E+01 -.687E+01 -.164E+02   0.156E-02 0.171E-01 -.370E-01   0.182E-02 -.248E-02 -.214E-02
   0.112E+02 0.507E+01 0.166E+02   -.112E+02 -.507E+01 -.165E+02   0.176E-01 0.890E-02 -.485E-01   0.331E-02 -.285E-02 0.770E-03
   0.469E+01 -.877E+00 0.154E+02   -.471E+01 0.887E+00 -.154E+02   0.147E-01 -.661E-02 -.971E-02   0.401E-02 -.220E-02 0.245E-02
   -.305E+01 -.251E+01 0.138E+02   0.304E+01 0.251E+01 -.138E+02   0.131E-02 0.165E-02 -.442E-02   0.419E-02 -.218E-02 0.643E-03
   0.653E+00 0.389E+01 0.138E+02   -.655E+00 -.389E+01 -.138E+02   -.777E-03 -.196E-02 -.442E-02   0.397E-02 -.255E-02 0.640E-03
   0.246E+01 0.188E+02 0.226E+02   -.247E+01 -.189E+02 -.225E+02   -.815E-03 0.986E-01 -.420E-01   0.360E-02 -.423E-02 -.361E-03
   0.226E+02 0.213E+02 0.403E+02   -.227E+02 -.216E+02 -.402E+02   0.745E-01 0.257E+00 -.723E-01   0.230E-02 -.458E-02 -.297E-02
   0.266E+02 -.341E+01 0.259E+02   -.269E+02 0.352E+01 -.258E+02   0.266E+00 -.109E+00 -.401E-01   0.179E-02 -.107E-02 -.205E-03
   0.911E+01 -.526E+01 0.156E+02   -.916E+01 0.529E+01 -.155E+02   0.415E-01 -.240E-01 -.154E-01   0.451E-02 -.261E-02 0.935E-03
   0.310E+01 -.362E+01 0.154E+02   -.312E+01 0.364E+01 -.154E+02   0.131E-01 -.944E-02 -.971E-02   0.391E-02 -.238E-02 0.245E-02
   -.587E+01 0.135E+02 0.177E+02   0.587E+01 -.136E+02 -.177E+02   0.392E-04 0.697E-01 -.436E-01   0.553E-02 -.202E-02 0.284E-03
   -.118E+02 0.359E+02 0.467E+02   0.118E+02 -.365E+02 -.470E+02   -.312E-01 0.602E+00 0.297E+00   0.684E-02 -.401E-02 -.458E-03
   0.234E+02 -.135E+02 0.914E+02   -.241E+02 0.139E+02 -.934E+02   0.630E+00 -.364E+00 0.202E+01   0.516E-03 -.300E-03 0.848E-03
   0.163E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.258E+02   0.227E+00 -.176E+00 -.401E-01   0.182E-02 -.103E-02 -.209E-03
   0.120E+01 -.122E+02 0.166E+02   -.121E+01 0.122E+02 -.165E+02   0.112E-02 -.197E-01 -.485E-01   0.413E-02 -.144E-02 0.765E-03
   -.412E+01 0.190E+01 0.142E+02   0.411E+01 -.190E+01 -.141E+02   0.143E-02 0.973E-02 -.331E-01   0.346E-02 -.209E-02 0.226E-02
   -.191E+02 0.110E+02 0.224E+02   0.191E+02 -.110E+02 -.224E+02   -.499E-01 0.288E-01 -.465E-01   0.507E-02 -.292E-02 -.178E-02
   -.370E+02 -.775E+01 0.467E+02   0.375E+02 0.804E+01 -.470E+02   -.537E+00 -.274E+00 0.297E+00   0.689E-02 -.392E-02 -.456E-03
   -.716E+01 -.302E+02 0.403E+02   0.733E+01 0.304E+02 -.402E+02   -.185E+00 -.193E+00 -.723E-01   0.512E-02 0.292E-03 -.297E-02
   -.283E+01 -.880E+01 0.164E+02   0.285E+01 0.881E+01 -.164E+02   -.141E-01 -.992E-02 -.370E-01   0.306E-02 -.344E-03 -.214E-02
   0.141E+01 -.813E+00 0.129E+02   -.141E+01 0.815E+00 -.129E+02   0.920E-03 -.531E-03 -.308E-01   0.372E-02 -.215E-02 -.163E-02
   -.370E+01 0.262E+01 0.142E+02   0.371E+01 -.261E+01 -.141E+02   -.770E-02 -.611E-02 -.331E-01   0.354E-02 -.195E-02 0.226E-02
   -.146E+02 -.167E+01 0.177E+02   0.147E+02 0.171E+01 -.177E+02   -.604E-01 -.349E-01 -.436E-01   0.451E-02 -.378E-02 0.290E-03
   -.150E+02 -.115E+02 0.226E+02   0.151E+02 0.116E+02 -.225E+02   -.858E-01 -.486E-01 -.420E-01   0.547E-02 -.101E-02 -.358E-03
   0.283E+01 0.880E+01 0.164E+02   -.285E+01 -.881E+01 -.164E+02   0.141E-01 0.992E-02 -.370E-01   -.306E-02 0.344E-03 -.214E-02
   0.150E+02 0.115E+02 0.226E+02   -.151E+02 -.116E+02 -.225E+02   0.858E-01 0.486E-01 -.420E-01   -.547E-02 0.101E-02 -.358E-03
   0.146E+02 0.167E+01 0.177E+02   -.147E+02 -.171E+01 -.177E+02   0.604E-01 0.349E-01 -.436E-01   -.451E-02 0.378E-02 0.290E-03
   0.370E+01 -.262E+01 0.142E+02   -.371E+01 0.261E+01 -.141E+02   0.770E-02 0.611E-02 -.331E-01   -.354E-02 0.195E-02 0.226E-02
   -.141E+01 0.813E+00 0.129E+02   0.141E+01 -.815E+00 -.129E+02   -.920E-03 0.531E-03 -.308E-01   -.372E-02 0.215E-02 -.163E-02
   -.120E+01 0.122E+02 0.166E+02   0.121E+01 -.122E+02 -.165E+02   -.112E-02 0.197E-01 -.485E-01   -.413E-02 0.144E-02 0.765E-03
   0.716E+01 0.302E+02 0.403E+02   -.733E+01 -.304E+02 -.402E+02   0.185E+00 0.193E+00 -.723E-01   -.512E-02 -.292E-03 -.297E-02
   0.370E+02 0.775E+01 0.467E+02   -.375E+02 -.804E+01 -.470E+02   0.537E+00 0.274E+00 0.297E+00   -.689E-02 0.392E-02 -.456E-03
   0.191E+02 -.110E+02 0.224E+02   -.191E+02 0.110E+02 -.224E+02   0.499E-01 -.288E-01 -.465E-01   -.507E-02 0.292E-02 -.178E-02
   0.412E+01 -.190E+01 0.142E+02   -.411E+01 0.190E+01 -.141E+02   -.143E-02 -.973E-02 -.331E-01   -.346E-02 0.209E-02 0.226E-02
   -.311E+01 0.362E+01 0.154E+02   0.312E+01 -.364E+01 -.154E+02   -.131E-01 0.944E-02 -.971E-02   -.391E-02 0.238E-02 0.245E-02
   -.163E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.258E+02   -.227E+00 0.176E+00 -.401E-01   -.182E-02 0.103E-02 -.209E-03
   -.234E+02 0.135E+02 0.914E+02   0.241E+02 -.139E+02 -.934E+02   -.630E+00 0.364E+00 0.202E+01   -.516E-03 0.301E-03 0.848E-03
   0.118E+02 -.359E+02 0.467E+02   -.118E+02 0.365E+02 -.470E+02   0.312E-01 -.602E+00 0.297E+00   -.684E-02 0.401E-02 -.458E-03
   0.587E+01 -.135E+02 0.177E+02   -.587E+01 0.136E+02 -.177E+02   -.392E-04 -.697E-01 -.436E-01   -.553E-02 0.202E-02 0.284E-03
   -.653E+00 -.389E+01 0.138E+02   0.655E+00 0.389E+01 -.138E+02   0.777E-03 0.196E-02 -.442E-02   -.397E-02 0.255E-02 0.640E-03
   -.911E+01 0.526E+01 0.156E+02   0.915E+01 -.529E+01 -.155E+02   -.415E-01 0.240E-01 -.154E-01   -.451E-02 0.261E-02 0.935E-03
   -.266E+02 0.341E+01 0.259E+02   0.269E+02 -.352E+01 -.258E+02   -.266E+00 0.109E+00 -.401E-01   -.179E-02 0.107E-02 -.205E-03
   -.226E+02 -.213E+02 0.403E+02   0.227E+02 0.216E+02 -.402E+02   -.745E-01 -.257E+00 -.723E-01   -.230E-02 0.458E-02 -.297E-02
   -.246E+01 -.188E+02 0.226E+02   0.247E+01 0.189E+02 -.225E+02   0.815E-03 -.986E-01 -.420E-01   -.360E-02 0.423E-02 -.361E-03
   0.201E+01 -.116E+01 0.136E+02   -.201E+01 0.116E+01 -.135E+02   -.636E-03 0.367E-03 -.342E-01   -.331E-02 0.191E-02 -.295E-02
   0.305E+01 0.251E+01 0.138E+02   -.304E+01 -.251E+01 -.138E+02   -.131E-02 -.165E-02 -.442E-02   -.419E-02 0.218E-02 0.643E-03
   -.469E+01 0.877E+00 0.154E+02   0.471E+01 -.887E+00 -.154E+02   -.147E-01 0.661E-02 -.971E-02   -.401E-02 0.220E-02 0.245E-02
   -.112E+02 -.507E+01 0.166E+02   0.112E+02 0.507E+01 -.165E+02   -.176E-01 -.890E-02 -.485E-01   -.331E-02 0.285E-02 0.770E-03
   -.621E+01 -.685E+01 0.164E+02   0.621E+01 0.687E+01 -.164E+02   -.156E-02 -.171E-01 -.370E-01   -.182E-02 0.248E-02 -.214E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.300E-03 0.101E+02   -.361E-12 -.192E-12 0.281E-12   0.223E-15 0.215E-15 -.101E+02   -.591E-07 0.228E-07 -.189E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85298      6.06058     12.33524         0.000000      0.000000     -0.002601
      1.07885      6.50752     13.59683        -0.003904      0.002254      0.001434
      2.62711      5.61364     13.59683         0.003904     -0.002254      0.001434
     -0.00007      0.00004      9.97654         0.003671     -0.002119     -0.009658
     -1.23466      2.13743      9.97674         0.002154     -0.005290     -0.005296
     -2.46966      4.27727      9.98230        -0.005259      0.001266      0.003535
     -3.70351      6.41628      9.97950        -0.000623      0.001016      0.006400
     -4.93738      8.55494      9.97731         0.001143     -0.001341      0.002403
      2.46934      0.00037      9.97731         0.001733     -0.000319      0.002403
      1.23423      2.13760      9.98073        -0.000683     -0.001653      0.001299
     -0.00204      4.27215      9.99462        -0.006819      0.000411     -0.007522
     -1.23783      6.41726     10.00615        -0.001100     -0.001444     -0.002673
     -2.46838      8.55552      9.98361        -0.003477      0.002007      0.000197
      4.93841      0.00114      9.97950        -0.001191      0.000032      0.006400
      3.70476      2.13777      9.98830         0.001411     -0.003075      0.000042
      2.47076      4.26991     10.02753        -0.003049     -0.003237      0.000961
      1.22986      6.42034     10.03703         0.001364     -0.000788      0.011370
     -0.00132      8.55896     10.00615         0.000701      0.001675     -0.002673
      7.40778      0.00211      9.98230        -0.003726      0.003921      0.003535
      6.17343      2.13995      9.97921         0.002514     -0.000313      0.007190
      4.94002      4.27828      9.99819         0.001950     -0.001126     -0.008746
      3.71264      6.42090     10.02753         0.001279      0.004259      0.000961
      2.47429      8.56129      9.99462        -0.003765      0.005700     -0.007522
      9.87843      0.00249      9.97674         0.005658      0.000779     -0.005296
      8.64303      2.14034      9.97657         0.000834     -0.000481     -0.005976
      7.40857      4.27928      9.97921         0.001528     -0.002020      0.007190
      6.17612      6.41830      9.98830         0.003369      0.000315      0.000042
      4.94100      8.55792      9.98073         0.001090      0.001418      0.001299
     -0.00074      1.42503      9.97674        -0.005658     -0.000779     -0.005296
     -1.23504      3.56324      9.98073        -0.001090     -0.001418      0.001299
     -2.47016      5.70285      9.98830        -0.003369     -0.000315      0.000042
     -3.70261      7.84188      9.97921        -0.001528      0.002020      0.007190
     -4.93707      9.98081      9.97657        -0.000834      0.000481     -0.005976
      2.46991      1.42541      9.98230         0.003726     -0.003921      0.003535
      1.23167      3.55987      9.99462         0.003765     -0.005700     -0.007522
     -0.00667      5.70026     10.02753        -0.001279     -0.004259      0.000961
     -1.23406      7.84288      9.99819        -0.001950      0.001126     -0.008746
     -2.46747      9.98121      9.97921        -0.002514      0.000313      0.007190
      4.93928      1.42637      9.97950         0.001191     -0.000032      0.006400
      3.70728      3.56220     10.00615        -0.000701     -0.001675     -0.002673
      2.47611      5.70082     10.03703        -0.001364      0.000788      0.011370
      1.23520      7.85125     10.02753         0.003049      0.003237      0.000961
      0.00121      9.98339      9.98830        -0.001411      0.003075      0.000042
      7.40835      1.42714      9.97731        -0.001733      0.000319      0.002403
      6.17434      3.56564      9.98361         0.003477     -0.002007      0.000197
      4.94379      5.70390     10.00615         0.001100      0.001444     -0.002673
      3.70800      7.84900      9.99462         0.006819     -0.000411     -0.007522
      2.47173      9.98356      9.98073         0.000683      0.001653      0.001299
      9.87776      1.42748      9.97654        -0.003671      0.002119     -0.009658
      8.64334      3.56621      9.97731        -0.001143      0.001341      0.002403
      7.40947      5.70487      9.97950         0.000623     -0.001016      0.006400
      6.17562      7.84389      9.98230         0.005259     -0.001266      0.003535
      4.94062      9.98373      9.97674        -0.002154      0.005290     -0.005296
 -----------------------------------------------------------------------------------
    total drift:                               -0.001811      0.000300      0.013995


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




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


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  151.07: CPU time   75.61
     LOOP+:  VPU time 4449.84: CPU time 2280.77


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


    POTLOK:  VPU time    7.71: CPU time    7.69
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1400.98: CPU time  735.17
 BZINTS: Fermi energy: -3.189388;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.31: CPU time   45.52
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1499.46: CPU time  788.80

 eigenvalue-minimisations  :  5616
 total energy-change (2. order) :-0.4717266E+03  (-0.6622664E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9563947 magnetization   -0.0000005

 Broyden mixing:
  rms(total) = 0.11679E-02    rms(broyden)= 0.11674E-02
  rms(prec ) = 0.13012E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34049.04706684
  -1/2 Hartree   DENC   =    -40940.02692638
  -V(xc)+E(xc)   XCENC  =       726.49669398
  PAW double counting   =      4092.17405014    -4130.49479111
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.36251450
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72656744 eV

  energy without entropy =     -471.72656744  energy(sigma->0) =     -471.72656744


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




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


    POTLOK:  VPU time    7.68: CPU time    7.68
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1140.07: CPU time  582.94
 BZINTS: Fermi energy: -3.188374;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1148.10: CPU time  590.94

 eigenvalue-minimisations  :  4184
 total energy-change (2. order) :-0.7528542E-06  (-0.2122701E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9563947 magnetization   -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34049.04706684
  -1/2 Hartree   DENC   =    -40939.91584173
  -V(xc)+E(xc)   XCENC  =       726.49297444
  PAW double counting   =      4092.07402248    -4130.39444086
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.47020296
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72656819 eV

  energy without entropy =     -471.72656819  energy(sigma->0) =     -471.72656819


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2074       2 -39.5429       3 -39.5430       4 -58.3157       5 -58.3194
       6 -58.3224       7 -58.3171       8 -58.3175       9 -58.3175      10 -58.3234
      11 -58.3895      12 -58.3538      13 -58.3253      14 -58.3171      15 -58.3268
      16 -58.5427      17 -58.7292      18 -58.3538      19 -58.3224      20 -58.3223
      21 -58.3600      22 -58.5427      23 -58.3895      24 -58.3195      25 -58.3252
      26 -58.3223      27 -58.3268      28 -58.3234      29 -58.3193      30 -58.3233
      31 -58.3266      32 -58.3222      33 -58.3250      34 -58.3223      35 -58.3894
      36 -58.5426      37 -58.3599      38 -58.3222      39 -58.3169      40 -58.3537
      41 -58.7291      42 -58.5426      43 -58.3267      44 -58.3173      45 -58.3252
      46 -58.3537      47 -58.3894      48 -58.3233      49 -58.3156      50 -58.3173
      51 -58.3170      52 -58.3223      53 -58.3194
 
 
 
 E-fermi :  -3.1884     XC(G=0):  -2.3598     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     -22.4226      1.00000
      2     -21.5983      1.00000
      3     -21.4787      1.00000
      4     -21.4697      1.00000
      5     -21.4375      1.00000
      6     -21.4371      1.00000
      7     -21.4264      1.00000
      8     -19.7034      1.00000
      9     -19.6495      1.00000
     10     -19.6271      1.00000
     11     -19.6158      1.00000
     12     -19.6109      1.00000
     13     -19.6095      1.00000
     14     -18.7865      1.00000
     15     -18.7514      1.00000
     16     -18.7327      1.00000
     17     -18.7234      1.00000
     18     -18.7157      1.00000
     19     -18.7112      1.00000
     20     -16.6336      1.00000
     21     -16.6073      1.00000
     22     -16.5839      1.00000
     23     -16.5808      1.00000
     24     -16.5525      1.00000
     25     -16.5514      1.00000
     26     -15.6115      1.00000
     27     -15.5993      1.00000
     28     -15.5963      1.00000
     29     -15.5627      1.00000
     30     -15.5612      1.00000
     31     -15.5597      1.00000
     32     -14.2574      1.00000
     33     -14.2487      1.00000
     34     -14.2396      1.00000
     35     -14.2341      1.00000
     36     -14.2207      1.00000
     37     -14.2179      1.00000
     38     -11.9041      1.00000
     39     -11.8782      1.00000
     40     -11.8672      1.00000
     41     -11.8648      1.00000
     42     -11.8450      1.00000
     43     -11.8445      1.00000
     44     -11.7693      1.00000
     45     -11.7677      1.00000
     46     -11.7330      1.00000
     47     -11.7270      1.00000
     48     -11.7241      1.00000
     49     -11.7197      1.00000
     50     -10.6704      1.00000
     51     -10.3861      1.00000
     52     -10.3819      1.00000
     53     -10.3752      1.00000
     54     -10.3669      1.00000
     55     -10.3546      1.00000
     56     -10.3520      1.00000
     57      -9.8989      1.00000
     58      -9.4468      1.00000
     59      -9.4035      1.00000
     60      -9.3603      1.00000
     61      -9.3594      1.00000
     62      -9.3516      1.00000
     63      -9.1405      1.00000
     64      -9.1226      1.00000
     65      -9.1201      1.00000
     66      -9.0847      1.00000
     67      -9.0706      1.00000
     68      -9.0704      1.00000
     69      -9.0688      1.00000
     70      -9.0650      1.00000
     71      -9.0631      1.00000
     72      -9.0390      1.00000
     73      -9.0287      1.00000
     74      -9.0256      1.00000
     75      -8.1366      1.00000
     76      -7.7320      1.00000
     77      -7.4695      1.00000
     78      -7.4656      1.00000
     79      -7.4541      1.00000
     80      -7.4344      1.00000
     81      -7.4236      1.00000
     82      -7.4074      1.00000
     83      -7.3107      1.00000
     84      -7.2686      1.00000
     85      -7.2560      1.00000
     86      -7.2475      1.00000
     87      -7.1563      1.00000
     88      -7.0454      1.00000
     89      -6.4460      1.00000
     90      -6.4141      1.00000
     91      -6.3991      1.00000
     92      -6.3624      1.00000
     93      -6.3524      1.00000
     94      -6.3395      1.00000
     95      -5.9605      1.00000
     96      -5.9577      1.00000
     97      -4.7965      1.00000
     98      -4.5401      1.00000
     99      -4.4807      1.00000
    100      -4.4714      1.00000
    101      -4.3820      1.00000
    102      -4.3820      1.00000
    103      -4.2662      1.00000
    104      -4.1849      1.00000
    105      -3.7346      1.00000
    106      -3.4707      1.00000
    107      -1.8599      0.00000
    108      -1.6742      0.00000
    109      -1.6255      0.00000
    110      -1.5931      0.00000
    111      -1.5783      0.00000
    112      -1.5773      0.00000
    113      -0.4283      0.00000
    114       0.1406      0.00000
    115       0.1900      0.00000
    116       0.2528      0.00000
    117       0.2653      0.00000
    118       0.2685      0.00000
    119       0.4716      0.00000
    120       0.5394      0.00000
    121       1.2346      0.00000
    122       1.2855      0.00000
    123       1.5088      0.00000
    124       1.7646      0.00000
    125       1.7670      0.00000
    126       1.7671      0.00000
    127       1.7964      0.00000
    128       1.8258      0.00000
    129       1.9546      0.00000
    130       1.9627      0.00000
    131       1.9702      0.00000
    132       1.9853      0.00000
    133       1.9924      0.00000
    134       2.0666      0.00000
    135       2.2329      0.00000
    136       2.3328      0.00000
    137       2.5877      0.00000
    138       2.5890      0.00000
    139       2.6128      0.00000
    140       2.6825      0.00000
    141       2.9256      0.00000
    142       3.0375      0.00000
    143       3.0578      0.00000
    144       3.0872      0.00000
    145       3.0917      0.00000
    146       3.0936      0.00000
    147       3.0972      0.00000
    148       3.2520      0.00000
    149       3.4338      0.00000
    150       3.4881      0.00000
    151       3.8088      0.00000
    152       3.9260      0.00000
    153       3.9278      0.00000
    154       3.9304      0.00000
    155       3.9450      0.00000
    156       3.9871      0.00000
    157       4.1749      0.00000
    158       4.2560      0.00000
    159       4.2625      0.00000
    160       4.2775      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3859      1.00000
      2     -21.8268      1.00000
      3     -21.6345      1.00000
      4     -21.6074      1.00000
      5     -21.2711      1.00000
      6     -21.2324      1.00000
      7     -21.0539      1.00000
      8     -20.1645      1.00000
      9     -20.1270      1.00000
     10     -19.6056      1.00000
     11     -19.5947      1.00000
     12     -19.4147      1.00000
     13     -19.0867      1.00000
     14     -19.0572      1.00000
     15     -19.0468      1.00000
     16     -19.0392      1.00000
     17     -18.3584      1.00000
     18     -18.3499      1.00000
     19     -18.0173      1.00000
     20     -17.0674      1.00000
     21     -17.0293      1.00000
     22     -16.9431      1.00000
     23     -16.9378      1.00000
     24     -16.4665      1.00000
     25     -16.4613      1.00000
     26     -15.6113      1.00000
     27     -15.6050      1.00000
     28     -15.2509      1.00000
     29     -15.2421      1.00000
     30     -15.1831      1.00000
     31     -15.0962      1.00000
     32     -15.0698      1.00000
     33     -14.6966      1.00000
     34     -14.6945      1.00000
     35     -13.7251      1.00000
     36     -13.7221      1.00000
     37     -13.2350      1.00000
     38     -12.6135      1.00000
     39     -12.5838      1.00000
     40     -12.4525      1.00000
     41     -12.4484      1.00000
     42     -12.1088      1.00000
     43     -12.1037      1.00000
     44     -11.7148      1.00000
     45     -11.6841      1.00000
     46     -11.2342      1.00000
     47     -11.2257      1.00000
     48     -11.0166      1.00000
     49     -11.0086      1.00000
     50     -10.9246      1.00000
     51     -10.9032      1.00000
     52     -10.6249      1.00000
     53     -10.1544      1.00000
     54     -10.1491      1.00000
     55     -10.0917      1.00000
     56      -9.9947      1.00000
     57      -9.7009      1.00000
     58      -9.6942      1.00000
     59      -9.6538      1.00000
     60      -9.5902      1.00000
     61      -9.5756      1.00000
     62      -9.5576      1.00000
     63      -9.3072      1.00000
     64      -9.3025      1.00000
     65      -9.2719      1.00000
     66      -9.2345      1.00000
     67      -9.1341      1.00000
     68      -9.1160      1.00000
     69      -9.1094      1.00000
     70      -8.9376      1.00000
     71      -8.8705      1.00000
     72      -8.6043      1.00000
     73      -8.5907      1.00000
     74      -8.2384      1.00000
     75      -8.1015      1.00000
     76      -7.9079      1.00000
     77      -7.8628      1.00000
     78      -7.7721      1.00000
     79      -7.7572      1.00000
     80      -7.6952      1.00000
     81      -7.5529      1.00000
     82      -7.3394      1.00000
     83      -7.3230      1.00000
     84      -7.2041      1.00000
     85      -7.1208      1.00000
     86      -7.0318      1.00000
     87      -7.0119      1.00000
     88      -6.7033      1.00000
     89      -6.6777      1.00000
     90      -6.6405      1.00000
     91      -6.5965      1.00000
     92      -6.1174      1.00000
     93      -6.0613      1.00000
     94      -6.0310      1.00000
     95      -6.0103      1.00000
     96      -5.7824      1.00000
     97      -4.9685      1.00000
     98      -4.8303      1.00000
     99      -4.7460      1.00000
    100      -4.6789      1.00000
    101      -4.4624      1.00000
    102      -4.1999      1.00000
    103      -4.1700      1.00000
    104      -4.1275      1.00000
    105      -3.7252      1.00000
    106      -3.4806      1.00000
    107      -1.8703      0.00000
    108      -1.8119      0.00000
    109      -1.5242      0.00000
    110      -1.3798      0.00000
    111      -1.3238      0.00000
    112      -1.2903      0.00000
    113      -0.7209      0.00000
    114      -0.3776      0.00000
    115      -0.2528      0.00000
    116       0.0330      0.00000
    117       0.5472      0.00000
    118       0.6944      0.00000
    119       0.7424      0.00000
    120       1.0430      0.00000
    121       1.0961      0.00000
    122       1.1429      0.00000
    123       1.2221      0.00000
    124       1.3693      0.00000
    125       1.5092      0.00000
    126       1.5643      0.00000
    127       1.7076      0.00000
    128       1.8071      0.00000
    129       1.8529      0.00000
    130       1.8766      0.00000
    131       2.0855      0.00000
    132       2.1726      0.00000
    133       2.2305      0.00000
    134       2.2888      0.00000
    135       2.4970      0.00000
    136       2.5693      0.00000
    137       2.6312      0.00000
    138       2.7632      0.00000
    139       2.7834      0.00000
    140       2.8197      0.00000
    141       2.8542      0.00000
    142       2.8826      0.00000
    143       2.9351      0.00000
    144       3.0580      0.00000
    145       3.1378      0.00000
    146       3.2935      0.00000
    147       3.3760      0.00000
    148       3.4230      0.00000
    149       3.4492      0.00000
    150       3.5955      0.00000
    151       3.6352      0.00000
    152       3.6504      0.00000
    153       3.6962      0.00000
    154       3.8872      0.00000
    155       3.9429      0.00000
    156       4.0005      0.00000
    157       4.0530      0.00000
    158       4.2110      0.00000
    159       4.2339      0.00000
    160       4.2591      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2798      1.00000
      2     -22.0745      1.00000
      3     -21.7129      1.00000
      4     -21.6818      1.00000
      5     -20.9759      1.00000
      6     -20.9361      1.00000
      7     -20.6084      1.00000
      8     -20.5724      1.00000
      9     -20.5663      1.00000
     10     -20.0299      1.00000
     11     -19.5005      1.00000
     12     -19.4889      1.00000
     13     -19.3041      1.00000
     14     -19.2988      1.00000
     15     -18.4452      1.00000
     16     -18.4091      1.00000
     17     -17.9203      1.00000
     18     -17.9106      1.00000
     19     -17.7596      1.00000
     20     -17.7243      1.00000
     21     -17.4343      1.00000
     22     -17.4264      1.00000
     23     -17.3398      1.00000
     24     -16.4611      1.00000
     25     -16.4598      1.00000
     26     -15.9647      1.00000
     27     -15.4116      1.00000
     28     -15.4067      1.00000
     29     -15.0941      1.00000
     30     -15.0913      1.00000
     31     -14.8542      1.00000
     32     -14.8467      1.00000
     33     -14.2890      1.00000
     34     -14.2567      1.00000
     35     -13.4357      1.00000
     36     -13.4037      1.00000
     37     -13.1764      1.00000
     38     -13.1724      1.00000
     39     -12.9791      1.00000
     40     -12.9743      1.00000
     41     -12.6125      1.00000
     42     -12.6083      1.00000
     43     -12.1973      1.00000
     44     -11.5741      1.00000
     45     -11.5406      1.00000
     46     -11.3082      1.00000
     47     -11.2856      1.00000
     48     -11.1418      1.00000
     49     -10.6740      1.00000
     50     -10.6602      1.00000
     51     -10.5476      1.00000
     52     -10.3232      1.00000
     53     -10.3161      1.00000
     54     -10.1679      1.00000
     55     -10.1149      1.00000
     56     -10.1110      1.00000
     57      -9.7950      1.00000
     58      -9.7647      1.00000
     59      -9.7499      1.00000
     60      -9.6988      1.00000
     61      -9.6975      1.00000
     62      -9.6592      1.00000
     63      -9.3550      1.00000
     64      -9.3495      1.00000
     65      -9.3138      1.00000
     66      -9.0381      1.00000
     67      -8.9625      1.00000
     68      -8.9485      1.00000
     69      -8.7966      1.00000
     70      -8.5924      1.00000
     71      -8.5569      1.00000
     72      -8.3955      1.00000
     73      -8.3631      1.00000
     74      -8.3242      1.00000
     75      -8.3066      1.00000
     76      -8.2593      1.00000
     77      -8.2568      1.00000
     78      -8.2354      1.00000
     79      -7.9076      1.00000
     80      -7.6515      1.00000
     81      -7.5424      1.00000
     82      -7.3865      1.00000
     83      -7.3497      1.00000
     84      -7.2321      1.00000
     85      -7.0973      1.00000
     86      -7.0367      1.00000
     87      -6.9337      1.00000
     88      -6.8460      1.00000
     89      -6.6123      1.00000
     90      -6.5603      1.00000
     91      -6.2697      1.00000
     92      -6.0419      1.00000
     93      -5.9507      1.00000
     94      -5.6616      1.00000
     95      -5.6214      1.00000
     96      -5.4603      1.00000
     97      -5.3189      1.00000
     98      -5.2783      1.00000
     99      -5.2136      1.00000
    100      -5.1930      1.00000
    101      -4.4996      1.00000
    102      -4.2034      1.00000
    103      -4.0553      1.00000
    104      -3.9887      1.00000
    105      -3.6910      1.00000
    106      -3.4907      1.00000
    107      -1.9470      0.00000
    108      -1.8995      0.00000
    109      -1.3370      0.00000
    110      -1.0869      0.00000
    111      -1.0606      0.00000
    112      -0.8021      0.00000
    113      -0.6801      0.00000
    114      -0.6490      0.00000
    115      -0.6097      0.00000
    116      -0.1111      0.00000
    117       0.2123      0.00000
    118       0.3248      0.00000
    119       0.6865      0.00000
    120       0.8781      0.00000
    121       1.1205      0.00000
    122       1.1950      0.00000
    123       1.3183      0.00000
    124       1.4093      0.00000
    125       1.5483      0.00000
    126       1.5711      0.00000
    127       1.6658      0.00000
    128       1.7982      0.00000
    129       1.8605      0.00000
    130       2.0395      0.00000
    131       2.1160      0.00000
    132       2.3223      0.00000
    133       2.3534      0.00000
    134       2.3826      0.00000
    135       2.5240      0.00000
    136       2.6202      0.00000
    137       2.7167      0.00000
    138       2.7519      0.00000
    139       2.8169      0.00000
    140       2.8670      0.00000
    141       3.0287      0.00000
    142       3.0441      0.00000
    143       3.1449      0.00000
    144       3.2489      0.00000
    145       3.3460      0.00000
    146       3.4006      0.00000
    147       3.4153      0.00000
    148       3.5508      0.00000
    149       3.5652      0.00000
    150       3.5803      0.00000
    151       3.6484      0.00000
    152       3.6602      0.00000
    153       3.7672      0.00000
    154       3.7838      0.00000
    155       3.7985      0.00000
    156       3.8783      0.00000
    157       3.9059      0.00000
    158       3.9785      0.00000
    159       4.1951      0.00000
    160       4.2109      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3138      1.00000
      2     -21.9591      1.00000
      3     -21.8905      1.00000
      4     -21.3772      1.00000
      5     -21.3487      1.00000
      6     -20.8365      1.00000
      7     -20.7717      1.00000
      8     -20.6214      1.00000
      9     -20.0745      1.00000
     10     -20.0690      1.00000
     11     -19.7139      1.00000
     12     -19.6900      1.00000
     13     -18.9938      1.00000
     14     -18.9882      1.00000
     15     -18.6376      1.00000
     16     -18.6221      1.00000
     17     -18.4604      1.00000
     18     -17.6734      1.00000
     19     -17.6239      1.00000
     20     -17.6208      1.00000
     21     -17.5790      1.00000
     22     -17.1245      1.00000
     23     -17.1034      1.00000
     24     -16.9599      1.00000
     25     -16.0000      1.00000
     26     -15.9264      1.00000
     27     -15.5837      1.00000
     28     -15.5835      1.00000
     29     -15.2857      1.00000
     30     -14.8621      1.00000
     31     -14.8353      1.00000
     32     -14.5784      1.00000
     33     -14.5366      1.00000
     34     -14.1666      1.00000
     35     -14.1527      1.00000
     36     -13.1473      1.00000
     37     -13.0986      1.00000
     38     -13.0289      1.00000
     39     -13.0197      1.00000
     40     -12.7084      1.00000
     41     -12.7046      1.00000
     42     -12.3390      1.00000
     43     -12.3075      1.00000
     44     -11.6339      1.00000
     45     -11.6211      1.00000
     46     -11.5700      1.00000
     47     -10.9475      1.00000
     48     -10.9145      1.00000
     49     -10.6292      1.00000
     50     -10.6244      1.00000
     51     -10.5448      1.00000
     52     -10.4976      1.00000
     53     -10.4968      1.00000
     54     -10.4398      1.00000
     55     -10.3606      1.00000
     56     -10.0958      1.00000
     57      -9.9010      1.00000
     58      -9.6090      1.00000
     59      -9.5568      1.00000
     60      -9.4508      1.00000
     61      -9.4107      1.00000
     62      -9.4031      1.00000
     63      -9.3774      1.00000
     64      -9.3770      1.00000
     65      -9.2844      1.00000
     66      -9.1672      1.00000
     67      -9.1424      1.00000
     68      -9.1136      1.00000
     69      -8.8626      1.00000
     70      -8.8557      1.00000
     71      -8.8138      1.00000
     72      -8.5950      1.00000
     73      -8.4784      1.00000
     74      -8.1980      1.00000
     75      -8.1624      1.00000
     76      -8.0120      1.00000
     77      -7.9563      1.00000
     78      -7.8513      1.00000
     79      -7.8412      1.00000
     80      -7.7063      1.00000
     81      -7.6970      1.00000
     82      -7.6239      1.00000
     83      -7.4443      1.00000
     84      -7.3048      1.00000
     85      -7.2473      1.00000
     86      -6.9061      1.00000
     87      -6.8925      1.00000
     88      -6.5881      1.00000
     89      -6.5497      1.00000
     90      -6.4084      1.00000
     91      -6.2523      1.00000
     92      -6.2315      1.00000
     93      -6.2046      1.00000
     94      -6.0220      1.00000
     95      -5.5484      1.00000
     96      -5.4878      1.00000
     97      -5.3483      1.00000
     98      -5.2196      1.00000
     99      -4.9785      1.00000
    100      -4.7282      1.00000
    101      -4.6762      1.00000
    102      -4.3834      1.00000
    103      -4.1988      1.00000
    104      -3.8644      1.00000
    105      -3.5459      1.00000
    106      -3.5020      1.00000
    107      -2.2590      0.00000
    108      -1.4543      0.00000
    109      -1.3741      0.00000
    110      -1.2442      0.00000
    111      -1.0986      0.00000
    112      -0.9471      0.00000
    113      -0.8659      0.00000
    114      -0.8059      0.00000
    115      -0.1423      0.00000
    116       0.1066      0.00000
    117       0.2385      0.00000
    118       0.3738      0.00000
    119       0.6441      0.00000
    120       0.8314      0.00000
    121       0.9328      0.00000
    122       1.0546      0.00000
    123       1.2256      0.00000
    124       1.4348      0.00000
    125       1.5349      0.00000
    126       1.7621      0.00000
    127       1.7847      0.00000
    128       1.8600      0.00000
    129       1.9526      0.00000
    130       2.0327      0.00000
    131       2.1608      0.00000
    132       2.1836      0.00000
    133       2.3955      0.00000
    134       2.4543      0.00000
    135       2.5257      0.00000
    136       2.5999      0.00000
    137       2.6336      0.00000
    138       2.6867      0.00000
    139       2.7565      0.00000
    140       2.8160      0.00000
    141       2.9337      0.00000
    142       3.0627      0.00000
    143       3.1830      0.00000
    144       3.2015      0.00000
    145       3.2452      0.00000
    146       3.3002      0.00000
    147       3.3098      0.00000
    148       3.4499      0.00000
    149       3.4823      0.00000
    150       3.6883      0.00000
    151       3.6974      0.00000
    152       3.7135      0.00000
    153       3.8478      0.00000
    154       3.8975      0.00000
    155       3.9212      0.00000
    156       3.9702      0.00000
    157       4.0010      0.00000
    158       4.0258      0.00000
    159       4.0336      0.00000
    160       4.0478      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2066      1.00000
      2     -22.1143      1.00000
      3     -21.9535      1.00000
      4     -21.4011      1.00000
      5     -21.0463      1.00000
      6     -21.0112      1.00000
      7     -20.4973      1.00000
      8     -20.4587      1.00000
      9     -20.2921      1.00000
     10     -20.2731      1.00000
     11     -19.9547      1.00000
     12     -19.8890      1.00000
     13     -18.8799      1.00000
     14     -18.8112      1.00000
     15     -18.3503      1.00000
     16     -18.3051      1.00000
     17     -18.1509      1.00000
     18     -18.1339      1.00000
     19     -17.8246      1.00000
     20     -17.7878      1.00000
     21     -17.2505      1.00000
     22     -17.2399      1.00000
     23     -17.1641      1.00000
     24     -17.1310      1.00000
     25     -16.1075      1.00000
     26     -15.8826      1.00000
     27     -15.8679      1.00000
     28     -15.8329      1.00000
     29     -15.2360      1.00000
     30     -14.5529      1.00000
     31     -14.5257      1.00000
     32     -14.2799      1.00000
     33     -13.9633      1.00000
     34     -13.9550      1.00000
     35     -13.8202      1.00000
     36     -13.8035      1.00000
     37     -13.6132      1.00000
     38     -13.5700      1.00000
     39     -13.3669      1.00000
     40     -12.6322      1.00000
     41     -12.1798      1.00000
     42     -12.1324      1.00000
     43     -12.0700      1.00000
     44     -12.0172      1.00000
     45     -11.6694      1.00000
     46     -11.6561      1.00000
     47     -11.1378      1.00000
     48     -11.1179      1.00000
     49     -10.7931      1.00000
     50     -10.7289      1.00000
     51     -10.5219      1.00000
     52     -10.2090      1.00000
     53     -10.2041      1.00000
     54     -10.1621      1.00000
     55     -10.0171      1.00000
     56     -10.0024      1.00000
     57      -9.9889      1.00000
     58      -9.8010      1.00000
     59      -9.7974      1.00000
     60      -9.7624      1.00000
     61      -9.7577      1.00000
     62      -9.4530      1.00000
     63      -9.4140      1.00000
     64      -9.0773      1.00000
     65      -9.0726      1.00000
     66      -9.0407      1.00000
     67      -8.9548      1.00000
     68      -8.8750      1.00000
     69      -8.7119      1.00000
     70      -8.6999      1.00000
     71      -8.5646      1.00000
     72      -8.5422      1.00000
     73      -8.4975      1.00000
     74      -8.4630      1.00000
     75      -8.4532      1.00000
     76      -8.2575      1.00000
     77      -8.1240      1.00000
     78      -8.0410      1.00000
     79      -7.9159      1.00000
     80      -7.8611      1.00000
     81      -7.6156      1.00000
     82      -7.5475      1.00000
     83      -7.4950      1.00000
     84      -7.2617      1.00000
     85      -6.9959      1.00000
     86      -6.9248      1.00000
     87      -6.8834      1.00000
     88      -6.5327      1.00000
     89      -6.4866      1.00000
     90      -6.4606      1.00000
     91      -6.4090      1.00000
     92      -5.9818      1.00000
     93      -5.8963      1.00000
     94      -5.7840      1.00000
     95      -5.7585      1.00000
     96      -5.4294      1.00000
     97      -5.3280      1.00000
     98      -5.2300      1.00000
     99      -5.2172      1.00000
    100      -5.1876      1.00000
    101      -4.6886      1.00000
    102      -4.4160      1.00000
    103      -4.2051      1.00000
    104      -3.8267      1.00000
    105      -3.5212      1.00000
    106      -3.2748      1.00000
    107      -2.5333      0.00000
    108      -1.4560      0.00000
    109      -1.2695      0.00000
    110      -1.2050      0.00000
    111      -1.1745      0.00000
    112      -0.7209      0.00000
    113      -0.5062      0.00000
    114      -0.4146      0.00000
    115      -0.3418      0.00000
    116      -0.1487      0.00000
    117      -0.0058      0.00000
    118       0.1895      0.00000
    119       0.5569      0.00000
    120       0.6089      0.00000
    121       0.7898      0.00000
    122       0.8967      0.00000
    123       1.1231      0.00000
    124       1.4780      0.00000
    125       1.6218      0.00000
    126       1.8285      0.00000
    127       1.9129      0.00000
    128       2.0907      0.00000
    129       2.1022      0.00000
    130       2.1450      0.00000
    131       2.1848      0.00000
    132       2.2753      0.00000
    133       2.3301      0.00000
    134       2.4647      0.00000
    135       2.5729      0.00000
    136       2.6442      0.00000
    137       2.8413      0.00000
    138       2.8650      0.00000
    139       2.8838      0.00000
    140       2.9881      0.00000
    141       3.0042      0.00000
    142       3.1290      0.00000
    143       3.1734      0.00000
    144       3.2156      0.00000
    145       3.2608      0.00000
    146       3.2747      0.00000
    147       3.2939      0.00000
    148       3.3377      0.00000
    149       3.4088      0.00000
    150       3.4273      0.00000
    151       3.5310      0.00000
    152       3.6090      0.00000
    153       3.6999      0.00000
    154       3.7190      0.00000
    155       3.7569      0.00000
    156       3.8866      0.00000
    157       3.9167      0.00000
    158       3.9871      0.00000
    159       4.1092      0.00000
    160       4.2011      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3136      1.00000
      2     -21.9607      1.00000
      3     -21.8890      1.00000
      4     -21.3810      1.00000
      5     -21.3454      1.00000
      6     -20.8363      1.00000
      7     -20.7700      1.00000
      8     -20.6219      1.00000
      9     -20.0866      1.00000
     10     -20.0584      1.00000
     11     -19.7154      1.00000
     12     -19.6872      1.00000
     13     -19.0070      1.00000
     14     -18.9766      1.00000
     15     -18.6474      1.00000
     16     -18.6153      1.00000
     17     -18.4582      1.00000
     18     -17.6584      1.00000
     19     -17.6445      1.00000
     20     -17.6088      1.00000
     21     -17.5757      1.00000
     22     -17.1354      1.00000
     23     -17.0961      1.00000
     24     -16.9650      1.00000
     25     -16.0075      1.00000
     26     -15.9206      1.00000
     27     -15.5964      1.00000
     28     -15.5734      1.00000
     29     -15.2783      1.00000
     30     -14.8746      1.00000
     31     -14.8284      1.00000
     32     -14.5736      1.00000
     33     -14.5352      1.00000
     34     -14.1631      1.00000
     35     -14.1583      1.00000
     36     -13.1612      1.00000
     37     -13.0938      1.00000
     38     -13.0213      1.00000
     39     -13.0175      1.00000
     40     -12.7164      1.00000
     41     -12.6936      1.00000
     42     -12.3390      1.00000
     43     -12.3113      1.00000
     44     -11.6313      1.00000
     45     -11.6220      1.00000
     46     -11.5683      1.00000
     47     -10.9398      1.00000
     48     -10.9214      1.00000
     49     -10.6641      1.00000
     50     -10.5895      1.00000
     51     -10.5712      1.00000
     52     -10.5004      1.00000
     53     -10.4868      1.00000
     54     -10.4390      1.00000
     55     -10.3544      1.00000
     56     -10.1001      1.00000
     57      -9.8952      1.00000
     58      -9.6072      1.00000
     59      -9.5493      1.00000
     60      -9.4509      1.00000
     61      -9.4185      1.00000
     62      -9.4075      1.00000
     63      -9.3788      1.00000
     64      -9.3708      1.00000
     65      -9.2650      1.00000
     66      -9.1653      1.00000
     67      -9.1417      1.00000
     68      -9.1152      1.00000
     69      -8.8656      1.00000
     70      -8.8597      1.00000
     71      -8.8005      1.00000
     72      -8.5938      1.00000
     73      -8.5235      1.00000
     74      -8.1932      1.00000
     75      -8.1703      1.00000
     76      -8.0775      1.00000
     77      -7.8578      1.00000
     78      -7.8363      1.00000
     79      -7.8195      1.00000
     80      -7.7107      1.00000
     81      -7.6963      1.00000
     82      -7.6004      1.00000
     83      -7.5236      1.00000
     84      -7.3507      1.00000
     85      -7.1650      1.00000
     86      -6.9057      1.00000
     87      -6.8962      1.00000
     88      -6.5925      1.00000
     89      -6.5500      1.00000
     90      -6.4061      1.00000
     91      -6.3012      1.00000
     92      -6.2468      1.00000
     93      -6.2023      1.00000
     94      -6.0024      1.00000
     95      -5.5297      1.00000
     96      -5.4645      1.00000
     97      -5.3124      1.00000
     98      -5.2089      1.00000
     99      -5.0442      1.00000
    100      -4.7212      1.00000
    101      -4.6697      1.00000
    102      -4.4181      1.00000
    103      -4.1912      1.00000
    104      -3.8360      1.00000
    105      -3.6310      1.00000
    106      -3.4134      1.00000
    107      -2.2933      0.00000
    108      -1.5080      0.00000
    109      -1.2720      0.00000
    110      -1.2654      0.00000
    111      -1.0356      0.00000
    112      -0.9805      0.00000
    113      -0.8703      0.00000
    114      -0.8023      0.00000
    115      -0.2632      0.00000
    116       0.2012      0.00000
    117       0.2363      0.00000
    118       0.3555      0.00000
    119       0.6821      0.00000
    120       0.8898      0.00000
    121       0.9194      0.00000
    122       1.0336      0.00000
    123       1.1571      0.00000
    124       1.4991      0.00000
    125       1.5439      0.00000
    126       1.6953      0.00000
    127       1.7742      0.00000
    128       1.8252      0.00000
    129       1.9539      0.00000
    130       1.9701      0.00000
    131       2.1740      0.00000
    132       2.2430      0.00000
    133       2.3988      0.00000
    134       2.4593      0.00000
    135       2.5259      0.00000
    136       2.5944      0.00000
    137       2.6140      0.00000
    138       2.6895      0.00000
    139       2.7377      0.00000
    140       2.8416      0.00000
    141       3.0232      0.00000
    142       3.0621      0.00000
    143       3.1765      0.00000
    144       3.2320      0.00000
    145       3.2474      0.00000
    146       3.2796      0.00000
    147       3.3293      0.00000
    148       3.4339      0.00000
    149       3.5048      0.00000
    150       3.6828      0.00000
    151       3.7106      0.00000
    152       3.7289      0.00000
    153       3.8167      0.00000
    154       3.8762      0.00000
    155       3.9112      0.00000
    156       3.9645      0.00000
    157       3.9969      0.00000
    158       4.0308      0.00000
    159       4.0329      0.00000
    160       4.0791      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3858      1.00000
      2     -21.8271      1.00000
      3     -21.6377      1.00000
      4     -21.6036      1.00000
      5     -21.2753      1.00000
      6     -21.2290      1.00000
      7     -21.0532      1.00000
      8     -20.1680      1.00000
      9     -20.1228      1.00000
     10     -19.6142      1.00000
     11     -19.5886      1.00000
     12     -19.4126      1.00000
     13     -19.0915      1.00000
     14     -19.0536      1.00000
     15     -19.0494      1.00000
     16     -19.0365      1.00000
     17     -18.3645      1.00000
     18     -18.3452      1.00000
     19     -18.0141      1.00000
     20     -17.0698      1.00000
     21     -17.0218      1.00000
     22     -16.9481      1.00000
     23     -16.9346      1.00000
     24     -16.4741      1.00000
     25     -16.4622      1.00000
     26     -15.6075      1.00000
     27     -15.6070      1.00000
     28     -15.2478      1.00000
     29     -15.2360      1.00000
     30     -15.1888      1.00000
     31     -15.0990      1.00000
     32     -15.0666      1.00000
     33     -14.6969      1.00000
     34     -14.6960      1.00000
     35     -13.7238      1.00000
     36     -13.7238      1.00000
     37     -13.2331      1.00000
     38     -12.6228      1.00000
     39     -12.5795      1.00000
     40     -12.4521      1.00000
     41     -12.4468      1.00000
     42     -12.1043      1.00000
     43     -12.0995      1.00000
     44     -11.7205      1.00000
     45     -11.6825      1.00000
     46     -11.2448      1.00000
     47     -11.2249      1.00000
     48     -11.0154      1.00000
     49     -11.0039      1.00000
     50     -10.9263      1.00000
     51     -10.8981      1.00000
     52     -10.6311      1.00000
     53     -10.1703      1.00000
     54     -10.1477      1.00000
     55     -10.0843      1.00000
     56      -9.9869      1.00000
     57      -9.6945      1.00000
     58      -9.6874      1.00000
     59      -9.6683      1.00000
     60      -9.5923      1.00000
     61      -9.5683      1.00000
     62      -9.5510      1.00000
     63      -9.3108      1.00000
     64      -9.2985      1.00000
     65      -9.2800      1.00000
     66      -9.2438      1.00000
     67      -9.1200      1.00000
     68      -9.1108      1.00000
     69      -9.1093      1.00000
     70      -8.9370      1.00000
     71      -8.8761      1.00000
     72      -8.6054      1.00000
     73      -8.5871      1.00000
     74      -8.2713      1.00000
     75      -8.1003      1.00000
     76      -7.8688      1.00000
     77      -7.8419      1.00000
     78      -7.7897      1.00000
     79      -7.7646      1.00000
     80      -7.7550      1.00000
     81      -7.4385      1.00000
     82      -7.3338      1.00000
     83      -7.3225      1.00000
     84      -7.2644      1.00000
     85      -7.1657      1.00000
     86      -7.0166      1.00000
     87      -6.9849      1.00000
     88      -6.7161      1.00000
     89      -6.6915      1.00000
     90      -6.6302      1.00000
     91      -6.5891      1.00000
     92      -6.1169      1.00000
     93      -6.0587      1.00000
     94      -6.0441      1.00000
     95      -6.0296      1.00000
     96      -5.7468      1.00000
     97      -4.9688      1.00000
     98      -4.8375      1.00000
     99      -4.7083      1.00000
    100      -4.6728      1.00000
    101      -4.4784      1.00000
    102      -4.3461      1.00000
    103      -4.1117      1.00000
    104      -4.0547      1.00000
    105      -3.7502      1.00000
    106      -3.4591      1.00000
    107      -1.9493      0.00000
    108      -1.7731      0.00000
    109      -1.4817      0.00000
    110      -1.3573      0.00000
    111      -1.3389      0.00000
    112      -1.2946      0.00000
    113      -0.6806      0.00000
    114      -0.4724      0.00000
    115      -0.2378      0.00000
    116       0.0475      0.00000
    117       0.5781      0.00000
    118       0.6899      0.00000
    119       0.7652      0.00000
    120       1.0150      0.00000
    121       1.0942      0.00000
    122       1.1698      0.00000
    123       1.2446      0.00000
    124       1.3291      0.00000
    125       1.4230      0.00000
    126       1.5763      0.00000
    127       1.7549      0.00000
    128       1.8364      0.00000
    129       1.8557      0.00000
    130       1.8810      0.00000
    131       2.0363      0.00000
    132       2.2058      0.00000
    133       2.2168      0.00000
    134       2.2671      0.00000
    135       2.4677      0.00000
    136       2.5970      0.00000
    137       2.6343      0.00000
    138       2.7317      0.00000
    139       2.7743      0.00000
    140       2.8308      0.00000
    141       2.8377      0.00000
    142       2.8661      0.00000
    143       2.9401      0.00000
    144       3.0611      0.00000
    145       3.2904      0.00000
    146       3.3473      0.00000
    147       3.3922      0.00000
    148       3.4088      0.00000
    149       3.4093      0.00000
    150       3.5745      0.00000
    151       3.6379      0.00000
    152       3.6544      0.00000
    153       3.7151      0.00000
    154       3.8811      0.00000
    155       3.9054      0.00000
    156       3.9410      0.00000
    157       4.0942      0.00000
    158       4.1847      0.00000
    159       4.2275      0.00000
    160       4.2694      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2056      1.00000
      2     -22.1157      1.00000
      3     -21.9532      1.00000
      4     -21.4013      1.00000
      5     -21.0425      1.00000
      6     -21.0148      1.00000
      7     -20.4926      1.00000
      8     -20.4634      1.00000
      9     -20.2829      1.00000
     10     -20.2811      1.00000
     11     -19.9539      1.00000
     12     -19.8911      1.00000
     13     -18.8809      1.00000
     14     -18.8139      1.00000
     15     -18.3348      1.00000
     16     -18.3161      1.00000
     17     -18.1468      1.00000
     18     -18.1394      1.00000
     19     -17.8132      1.00000
     20     -17.7955      1.00000
     21     -17.2566      1.00000
     22     -17.2374      1.00000
     23     -17.1581      1.00000
     24     -17.1343      1.00000
     25     -16.1132      1.00000
     26     -15.8781      1.00000
     27     -15.8674      1.00000
     28     -15.8400      1.00000
     29     -15.2294      1.00000
     30     -14.5495      1.00000
     31     -14.5316      1.00000
     32     -14.2745      1.00000
     33     -13.9729      1.00000
     34     -13.9492      1.00000
     35     -13.8240      1.00000
     36     -13.8013      1.00000
     37     -13.6026      1.00000
     38     -13.5778      1.00000
     39     -13.3668      1.00000
     40     -12.6358      1.00000
     41     -12.1680      1.00000
     42     -12.1419      1.00000
     43     -12.0662      1.00000
     44     -12.0195      1.00000
     45     -11.6629      1.00000
     46     -11.6586      1.00000
     47     -11.1363      1.00000
     48     -11.1259      1.00000
     49     -10.7898      1.00000
     50     -10.7339      1.00000
     51     -10.5290      1.00000
     52     -10.2063      1.00000
     53     -10.2004      1.00000
     54     -10.1677      1.00000
     55     -10.0201      1.00000
     56      -9.9918      1.00000
     57      -9.9883      1.00000
     58      -9.8037      1.00000
     59      -9.7943      1.00000
     60      -9.7649      1.00000
     61      -9.7571      1.00000
     62      -9.4548      1.00000
     63      -9.4142      1.00000
     64      -9.0830      1.00000
     65      -9.0445      1.00000
     66      -9.0238      1.00000
     67      -8.9695      1.00000
     68      -8.8951      1.00000
     69      -8.7067      1.00000
     70      -8.6978      1.00000
     71      -8.5604      1.00000
     72      -8.5499      1.00000
     73      -8.4776      1.00000
     74      -8.4593      1.00000
     75      -8.4555      1.00000
     76      -8.3035      1.00000
     77      -8.0919      1.00000
     78      -8.0886      1.00000
     79      -7.9263      1.00000
     80      -7.8324      1.00000
     81      -7.5990      1.00000
     82      -7.5381      1.00000
     83      -7.4522      1.00000
     84      -7.3033      1.00000
     85      -6.9931      1.00000
     86      -6.9198      1.00000
     87      -6.8813      1.00000
     88      -6.5291      1.00000
     89      -6.5149      1.00000
     90      -6.4821      1.00000
     91      -6.4200      1.00000
     92      -5.9248      1.00000
     93      -5.9036      1.00000
     94      -5.7880      1.00000
     95      -5.7736      1.00000
     96      -5.3674      1.00000
     97      -5.3607      1.00000
     98      -5.2194      1.00000
     99      -5.2151      1.00000
    100      -5.1981      1.00000
    101      -4.7175      1.00000
    102      -4.4354      1.00000
    103      -4.1875      1.00000
    104      -3.8129      1.00000
    105      -3.5583      1.00000
    106      -3.2233      1.00000
    107      -2.5629      0.00000
    108      -1.4610      0.00000
    109      -1.2699      0.00000
    110      -1.1876      0.00000
    111      -1.1857      0.00000
    112      -0.6464      0.00000
    113      -0.5550      0.00000
    114      -0.4169      0.00000
    115      -0.3501      0.00000
    116      -0.0807      0.00000
    117      -0.0669      0.00000
    118       0.1234      0.00000
    119       0.5898      0.00000
    120       0.6227      0.00000
    121       0.8457      0.00000
    122       0.9767      0.00000
    123       0.9950      0.00000
    124       1.4832      0.00000
    125       1.6694      0.00000
    126       1.7435      0.00000
    127       1.8393      0.00000
    128       2.0931      0.00000
    129       2.1405      0.00000
    130       2.1829      0.00000
    131       2.2063      0.00000
    132       2.2511      0.00000
    133       2.3440      0.00000
    134       2.4857      0.00000
    135       2.5073      0.00000
    136       2.6482      0.00000
    137       2.8490      0.00000
    138       2.8549      0.00000
    139       2.9409      0.00000
    140       2.9759      0.00000
    141       3.0149      0.00000
    142       3.1258      0.00000
    143       3.1872      0.00000
    144       3.2265      0.00000
    145       3.2344      0.00000
    146       3.2711      0.00000
    147       3.2969      0.00000
    148       3.3454      0.00000
    149       3.4006      0.00000
    150       3.5326      0.00000
    151       3.5516      0.00000
    152       3.6321      0.00000
    153       3.6461      0.00000
    154       3.6957      0.00000
    155       3.7168      0.00000
    156       3.8884      0.00000
    157       3.9365      0.00000
    158       4.0153      0.00000
    159       4.0554      0.00000
    160       4.1620      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2794      1.00000
      2     -22.0751      1.00000
      3     -21.7164      1.00000
      4     -21.6782      1.00000
      5     -20.9792      1.00000
      6     -20.9323      1.00000
      7     -20.6079      1.00000
      8     -20.5759      1.00000
      9     -20.5629      1.00000
     10     -20.0291      1.00000
     11     -19.5105      1.00000
     12     -19.4812      1.00000
     13     -19.3090      1.00000
     14     -19.2962      1.00000
     15     -18.4466      1.00000
     16     -18.4042      1.00000
     17     -17.9254      1.00000
     18     -17.9054      1.00000
     19     -17.7631      1.00000
     20     -17.7189      1.00000
     21     -17.4398      1.00000
     22     -17.4216      1.00000
     23     -17.3359      1.00000
     24     -16.4701      1.00000
     25     -16.4599      1.00000
     26     -15.9674      1.00000
     27     -15.4092      1.00000
     28     -15.4083      1.00000
     29     -15.0944      1.00000
     30     -15.0914      1.00000
     31     -14.8514      1.00000
     32     -14.8395      1.00000
     33     -14.2956      1.00000
     34     -14.2526      1.00000
     35     -13.4424      1.00000
     36     -13.3994      1.00000
     37     -13.1740      1.00000
     38     -13.1727      1.00000
     39     -12.9824      1.00000
     40     -12.9736      1.00000
     41     -12.6098      1.00000
     42     -12.6078      1.00000
     43     -12.1949      1.00000
     44     -11.5783      1.00000
     45     -11.5378      1.00000
     46     -11.3123      1.00000
     47     -11.2824      1.00000
     48     -11.1401      1.00000
     49     -10.6901      1.00000
     50     -10.6634      1.00000
     51     -10.5428      1.00000
     52     -10.3201      1.00000
     53     -10.3127      1.00000
     54     -10.1724      1.00000
     55     -10.1217      1.00000
     56     -10.1083      1.00000
     57      -9.8083      1.00000
     58      -9.7501      1.00000
     59      -9.7501      1.00000
     60      -9.7008      1.00000
     61      -9.6971      1.00000
     62      -9.6443      1.00000
     63      -9.3510      1.00000
     64      -9.3496      1.00000
     65      -9.3187      1.00000
     66      -9.0258      1.00000
     67      -8.9602      1.00000
     68      -8.9554      1.00000
     69      -8.7733      1.00000
     70      -8.5926      1.00000
     71      -8.5845      1.00000
     72      -8.4204      1.00000
     73      -8.3478      1.00000
     74      -8.3217      1.00000
     75      -8.3011      1.00000
     76      -8.2662      1.00000
     77      -8.2549      1.00000
     78      -8.2403      1.00000
     79      -7.9241      1.00000
     80      -7.7354      1.00000
     81      -7.3788      1.00000
     82      -7.3493      1.00000
     83      -7.3130      1.00000
     84      -7.2169      1.00000
     85      -7.1584      1.00000
     86      -7.0676      1.00000
     87      -6.9593      1.00000
     88      -6.9068      1.00000
     89      -6.6153      1.00000
     90      -6.5560      1.00000
     91      -6.2730      1.00000
     92      -5.9946      1.00000
     93      -5.9580      1.00000
     94      -5.6738      1.00000
     95      -5.6472      1.00000
     96      -5.3855      1.00000
     97      -5.3136      1.00000
     98      -5.2926      1.00000
     99      -5.2115      1.00000
    100      -5.1997      1.00000
    101      -4.5035      1.00000
    102      -4.3320      1.00000
    103      -3.9957      1.00000
    104      -3.8851      1.00000
    105      -3.7881      1.00000
    106      -3.4381      1.00000
    107      -2.0333      0.00000
    108      -1.8653      0.00000
    109      -1.2176      0.00000
    110      -1.1866      0.00000
    111      -1.0379      0.00000
    112      -0.7742      0.00000
    113      -0.6805      0.00000
    114      -0.6621      0.00000
    115      -0.6119      0.00000
    116      -0.1054      0.00000
    117       0.2199      0.00000
    118       0.2359      0.00000
    119       0.7602      0.00000
    120       0.9755      0.00000
    121       1.0710      0.00000
    122       1.2354      0.00000
    123       1.2465      0.00000
    124       1.3300      0.00000
    125       1.5690      0.00000
    126       1.5811      0.00000
    127       1.6850      0.00000
    128       1.7800      0.00000
    129       1.9310      0.00000
    130       1.9397      0.00000
    131       2.0800      0.00000
    132       2.2903      0.00000
    133       2.3376      0.00000
    134       2.4061      0.00000
    135       2.5195      0.00000
    136       2.6172      0.00000
    137       2.7615      0.00000
    138       2.8192      0.00000
    139       2.8327      0.00000
    140       2.8523      0.00000
    141       3.0259      0.00000
    142       3.0882      0.00000
    143       3.1345      0.00000
    144       3.2021      0.00000
    145       3.3614      0.00000
    146       3.4034      0.00000
    147       3.4844      0.00000
    148       3.5214      0.00000
    149       3.5818      0.00000
    150       3.5948      0.00000
    151       3.6254      0.00000
    152       3.7226      0.00000
    153       3.7295      0.00000
    154       3.7625      0.00000
    155       3.8097      0.00000
    156       3.8635      0.00000
    157       4.0068      0.00000
    158       4.0732      0.00000
    159       4.1530      0.00000
    160       4.1874      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4226      1.00000
      2     -21.5983      1.00000
      3     -21.4787      1.00000
      4     -21.4697      1.00000
      5     -21.4375      1.00000
      6     -21.4371      1.00000
      7     -21.4264      1.00000
      8     -19.7034      1.00000
      9     -19.6495      1.00000
     10     -19.6271      1.00000
     11     -19.6158      1.00000
     12     -19.6109      1.00000
     13     -19.6095      1.00000
     14     -18.7865      1.00000
     15     -18.7514      1.00000
     16     -18.7327      1.00000
     17     -18.7234      1.00000
     18     -18.7157      1.00000
     19     -18.7112      1.00000
     20     -16.6336      1.00000
     21     -16.6073      1.00000
     22     -16.5839      1.00000
     23     -16.5808      1.00000
     24     -16.5525      1.00000
     25     -16.5514      1.00000
     26     -15.6115      1.00000
     27     -15.5993      1.00000
     28     -15.5963      1.00000
     29     -15.5627      1.00000
     30     -15.5612      1.00000
     31     -15.5597      1.00000
     32     -14.2574      1.00000
     33     -14.2487      1.00000
     34     -14.2396      1.00000
     35     -14.2341      1.00000
     36     -14.2207      1.00000
     37     -14.2179      1.00000
     38     -11.9041      1.00000
     39     -11.8782      1.00000
     40     -11.8672      1.00000
     41     -11.8648      1.00000
     42     -11.8450      1.00000
     43     -11.8445      1.00000
     44     -11.7693      1.00000
     45     -11.7677      1.00000
     46     -11.7330      1.00000
     47     -11.7270      1.00000
     48     -11.7241      1.00000
     49     -11.7197      1.00000
     50     -10.6704      1.00000
     51     -10.3861      1.00000
     52     -10.3819      1.00000
     53     -10.3752      1.00000
     54     -10.3669      1.00000
     55     -10.3546      1.00000
     56     -10.3520      1.00000
     57      -9.8989      1.00000
     58      -9.4468      1.00000
     59      -9.4035      1.00000
     60      -9.3603      1.00000
     61      -9.3594      1.00000
     62      -9.3516      1.00000
     63      -9.1405      1.00000
     64      -9.1226      1.00000
     65      -9.1201      1.00000
     66      -9.0847      1.00000
     67      -9.0706      1.00000
     68      -9.0704      1.00000
     69      -9.0688      1.00000
     70      -9.0650      1.00000
     71      -9.0631      1.00000
     72      -9.0390      1.00000
     73      -9.0287      1.00000
     74      -9.0256      1.00000
     75      -8.1366      1.00000
     76      -7.7320      1.00000
     77      -7.4695      1.00000
     78      -7.4656      1.00000
     79      -7.4541      1.00000
     80      -7.4344      1.00000
     81      -7.4236      1.00000
     82      -7.4074      1.00000
     83      -7.3107      1.00000
     84      -7.2686      1.00000
     85      -7.2560      1.00000
     86      -7.2475      1.00000
     87      -7.1563      1.00000
     88      -7.0454      1.00000
     89      -6.4460      1.00000
     90      -6.4141      1.00000
     91      -6.3991      1.00000
     92      -6.3624      1.00000
     93      -6.3524      1.00000
     94      -6.3395      1.00000
     95      -5.9605      1.00000
     96      -5.9577      1.00000
     97      -4.7965      1.00000
     98      -4.5401      1.00000
     99      -4.4807      1.00000
    100      -4.4714      1.00000
    101      -4.3820      1.00000
    102      -4.3820      1.00000
    103      -4.2662      1.00000
    104      -4.1849      1.00000
    105      -3.7346      1.00000
    106      -3.4707      1.00000
    107      -1.8599      0.00000
    108      -1.6742      0.00000
    109      -1.6255      0.00000
    110      -1.5931      0.00000
    111      -1.5783      0.00000
    112      -1.5773      0.00000
    113      -0.4283      0.00000
    114       0.1406      0.00000
    115       0.1900      0.00000
    116       0.2528      0.00000
    117       0.2653      0.00000
    118       0.2685      0.00000
    119       0.4716      0.00000
    120       0.5393      0.00000
    121       1.2346      0.00000
    122       1.2855      0.00000
    123       1.5088      0.00000
    124       1.7646      0.00000
    125       1.7670      0.00000
    126       1.7671      0.00000
    127       1.7964      0.00000
    128       1.8258      0.00000
    129       1.9546      0.00000
    130       1.9627      0.00000
    131       1.9702      0.00000
    132       1.9853      0.00000
    133       1.9924      0.00000
    134       2.0666      0.00000
    135       2.2329      0.00000
    136       2.3328      0.00000
    137       2.5877      0.00000
    138       2.5890      0.00000
    139       2.6128      0.00000
    140       2.6825      0.00000
    141       2.9256      0.00000
    142       3.0374      0.00000
    143       3.0578      0.00000
    144       3.0873      0.00000
    145       3.0917      0.00000
    146       3.0936      0.00000
    147       3.0972      0.00000
    148       3.2520      0.00000
    149       3.4338      0.00000
    150       3.4881      0.00000
    151       3.8088      0.00000
    152       3.9260      0.00000
    153       3.9278      0.00000
    154       3.9304      0.00000
    155       3.9450      0.00000
    156       3.9871      0.00000
    157       4.1749      0.00000
    158       4.2560      0.00000
    159       4.2625      0.00000
    160       4.2775      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3859      1.00000
      2     -21.8268      1.00000
      3     -21.6345      1.00000
      4     -21.6074      1.00000
      5     -21.2711      1.00000
      6     -21.2324      1.00000
      7     -21.0539      1.00000
      8     -20.1645      1.00000
      9     -20.1270      1.00000
     10     -19.6056      1.00000
     11     -19.5947      1.00000
     12     -19.4147      1.00000
     13     -19.0867      1.00000
     14     -19.0572      1.00000
     15     -19.0468      1.00000
     16     -19.0392      1.00000
     17     -18.3584      1.00000
     18     -18.3499      1.00000
     19     -18.0173      1.00000
     20     -17.0674      1.00000
     21     -17.0293      1.00000
     22     -16.9431      1.00000
     23     -16.9378      1.00000
     24     -16.4665      1.00000
     25     -16.4613      1.00000
     26     -15.6113      1.00000
     27     -15.6050      1.00000
     28     -15.2509      1.00000
     29     -15.2421      1.00000
     30     -15.1831      1.00000
     31     -15.0962      1.00000
     32     -15.0698      1.00000
     33     -14.6966      1.00000
     34     -14.6945      1.00000
     35     -13.7251      1.00000
     36     -13.7221      1.00000
     37     -13.2350      1.00000
     38     -12.6135      1.00000
     39     -12.5838      1.00000
     40     -12.4525      1.00000
     41     -12.4484      1.00000
     42     -12.1088      1.00000
     43     -12.1037      1.00000
     44     -11.7148      1.00000
     45     -11.6841      1.00000
     46     -11.2342      1.00000
     47     -11.2257      1.00000
     48     -11.0166      1.00000
     49     -11.0086      1.00000
     50     -10.9246      1.00000
     51     -10.9032      1.00000
     52     -10.6249      1.00000
     53     -10.1544      1.00000
     54     -10.1491      1.00000
     55     -10.0917      1.00000
     56      -9.9947      1.00000
     57      -9.7009      1.00000
     58      -9.6942      1.00000
     59      -9.6538      1.00000
     60      -9.5902      1.00000
     61      -9.5756      1.00000
     62      -9.5576      1.00000
     63      -9.3072      1.00000
     64      -9.3025      1.00000
     65      -9.2719      1.00000
     66      -9.2345      1.00000
     67      -9.1341      1.00000
     68      -9.1160      1.00000
     69      -9.1094      1.00000
     70      -8.9376      1.00000
     71      -8.8705      1.00000
     72      -8.6043      1.00000
     73      -8.5907      1.00000
     74      -8.2384      1.00000
     75      -8.1015      1.00000
     76      -7.9079      1.00000
     77      -7.8628      1.00000
     78      -7.7721      1.00000
     79      -7.7572      1.00000
     80      -7.6952      1.00000
     81      -7.5529      1.00000
     82      -7.3394      1.00000
     83      -7.3230      1.00000
     84      -7.2041      1.00000
     85      -7.1208      1.00000
     86      -7.0318      1.00000
     87      -7.0119      1.00000
     88      -6.7033      1.00000
     89      -6.6777      1.00000
     90      -6.6405      1.00000
     91      -6.5965      1.00000
     92      -6.1174      1.00000
     93      -6.0613      1.00000
     94      -6.0310      1.00000
     95      -6.0103      1.00000
     96      -5.7824      1.00000
     97      -4.9685      1.00000
     98      -4.8303      1.00000
     99      -4.7460      1.00000
    100      -4.6789      1.00000
    101      -4.4624      1.00000
    102      -4.1999      1.00000
    103      -4.1700      1.00000
    104      -4.1275      1.00000
    105      -3.7252      1.00000
    106      -3.4806      1.00000
    107      -1.8703      0.00000
    108      -1.8119      0.00000
    109      -1.5242      0.00000
    110      -1.3798      0.00000
    111      -1.3238      0.00000
    112      -1.2903      0.00000
    113      -0.7209      0.00000
    114      -0.3776      0.00000
    115      -0.2528      0.00000
    116       0.0330      0.00000
    117       0.5472      0.00000
    118       0.6944      0.00000
    119       0.7424      0.00000
    120       1.0430      0.00000
    121       1.0961      0.00000
    122       1.1429      0.00000
    123       1.2221      0.00000
    124       1.3693      0.00000
    125       1.5092      0.00000
    126       1.5643      0.00000
    127       1.7076      0.00000
    128       1.8071      0.00000
    129       1.8529      0.00000
    130       1.8766      0.00000
    131       2.0855      0.00000
    132       2.1725      0.00000
    133       2.2305      0.00000
    134       2.2888      0.00000
    135       2.4970      0.00000
    136       2.5693      0.00000
    137       2.6312      0.00000
    138       2.7632      0.00000
    139       2.7834      0.00000
    140       2.8197      0.00000
    141       2.8542      0.00000
    142       2.8826      0.00000
    143       2.9352      0.00000
    144       3.0580      0.00000
    145       3.1378      0.00000
    146       3.2935      0.00000
    147       3.3760      0.00000
    148       3.4231      0.00000
    149       3.4492      0.00000
    150       3.5955      0.00000
    151       3.6352      0.00000
    152       3.6504      0.00000
    153       3.6963      0.00000
    154       3.8872      0.00000
    155       3.9429      0.00000
    156       4.0005      0.00000
    157       4.0530      0.00000
    158       4.2110      0.00000
    159       4.2339      0.00000
    160       4.2591      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2798      1.00000
      2     -22.0745      1.00000
      3     -21.7129      1.00000
      4     -21.6818      1.00000
      5     -20.9759      1.00000
      6     -20.9361      1.00000
      7     -20.6084      1.00000
      8     -20.5724      1.00000
      9     -20.5663      1.00000
     10     -20.0299      1.00000
     11     -19.5005      1.00000
     12     -19.4889      1.00000
     13     -19.3041      1.00000
     14     -19.2988      1.00000
     15     -18.4452      1.00000
     16     -18.4091      1.00000
     17     -17.9203      1.00000
     18     -17.9106      1.00000
     19     -17.7596      1.00000
     20     -17.7243      1.00000
     21     -17.4343      1.00000
     22     -17.4264      1.00000
     23     -17.3398      1.00000
     24     -16.4611      1.00000
     25     -16.4598      1.00000
     26     -15.9647      1.00000
     27     -15.4116      1.00000
     28     -15.4067      1.00000
     29     -15.0941      1.00000
     30     -15.0913      1.00000
     31     -14.8542      1.00000
     32     -14.8467      1.00000
     33     -14.2890      1.00000
     34     -14.2567      1.00000
     35     -13.4357      1.00000
     36     -13.4037      1.00000
     37     -13.1764      1.00000
     38     -13.1724      1.00000
     39     -12.9791      1.00000
     40     -12.9743      1.00000
     41     -12.6125      1.00000
     42     -12.6083      1.00000
     43     -12.1973      1.00000
     44     -11.5741      1.00000
     45     -11.5406      1.00000
     46     -11.3082      1.00000
     47     -11.2856      1.00000
     48     -11.1418      1.00000
     49     -10.6740      1.00000
     50     -10.6602      1.00000
     51     -10.5476      1.00000
     52     -10.3232      1.00000
     53     -10.3161      1.00000
     54     -10.1679      1.00000
     55     -10.1149      1.00000
     56     -10.1110      1.00000
     57      -9.7950      1.00000
     58      -9.7647      1.00000
     59      -9.7499      1.00000
     60      -9.6988      1.00000
     61      -9.6975      1.00000
     62      -9.6592      1.00000
     63      -9.3550      1.00000
     64      -9.3495      1.00000
     65      -9.3138      1.00000
     66      -9.0381      1.00000
     67      -8.9625      1.00000
     68      -8.9485      1.00000
     69      -8.7966      1.00000
     70      -8.5924      1.00000
     71      -8.5569      1.00000
     72      -8.3955      1.00000
     73      -8.3631      1.00000
     74      -8.3242      1.00000
     75      -8.3066      1.00000
     76      -8.2593      1.00000
     77      -8.2568      1.00000
     78      -8.2354      1.00000
     79      -7.9076      1.00000
     80      -7.6515      1.00000
     81      -7.5424      1.00000
     82      -7.3865      1.00000
     83      -7.3497      1.00000
     84      -7.2321      1.00000
     85      -7.0973      1.00000
     86      -7.0367      1.00000
     87      -6.9337      1.00000
     88      -6.8460      1.00000
     89      -6.6123      1.00000
     90      -6.5603      1.00000
     91      -6.2697      1.00000
     92      -6.0419      1.00000
     93      -5.9507      1.00000
     94      -5.6616      1.00000
     95      -5.6214      1.00000
     96      -5.4603      1.00000
     97      -5.3189      1.00000
     98      -5.2783      1.00000
     99      -5.2136      1.00000
    100      -5.1930      1.00000
    101      -4.4996      1.00000
    102      -4.2034      1.00000
    103      -4.0553      1.00000
    104      -3.9887      1.00000
    105      -3.6910      1.00000
    106      -3.4907      1.00000
    107      -1.9470      0.00000
    108      -1.8995      0.00000
    109      -1.3370      0.00000
    110      -1.0869      0.00000
    111      -1.0606      0.00000
    112      -0.8021      0.00000
    113      -0.6801      0.00000
    114      -0.6490      0.00000
    115      -0.6097      0.00000
    116      -0.1111      0.00000
    117       0.2123      0.00000
    118       0.3248      0.00000
    119       0.6865      0.00000
    120       0.8781      0.00000
    121       1.1205      0.00000
    122       1.1950      0.00000
    123       1.3183      0.00000
    124       1.4092      0.00000
    125       1.5483      0.00000
    126       1.5711      0.00000
    127       1.6658      0.00000
    128       1.7982      0.00000
    129       1.8605      0.00000
    130       2.0395      0.00000
    131       2.1160      0.00000
    132       2.3223      0.00000
    133       2.3534      0.00000
    134       2.3826      0.00000
    135       2.5240      0.00000
    136       2.6202      0.00000
    137       2.7167      0.00000
    138       2.7519      0.00000
    139       2.8169      0.00000
    140       2.8670      0.00000
    141       3.0287      0.00000
    142       3.0441      0.00000
    143       3.1449      0.00000
    144       3.2489      0.00000
    145       3.3460      0.00000
    146       3.4006      0.00000
    147       3.4153      0.00000
    148       3.5508      0.00000
    149       3.5652      0.00000
    150       3.5803      0.00000
    151       3.6484      0.00000
    152       3.6602      0.00000
    153       3.7672      0.00000
    154       3.7838      0.00000
    155       3.7985      0.00000
    156       3.8783      0.00000
    157       3.9059      0.00000
    158       3.9785      0.00000
    159       4.1951      0.00000
    160       4.2109      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3138      1.00000
      2     -21.9591      1.00000
      3     -21.8905      1.00000
      4     -21.3772      1.00000
      5     -21.3487      1.00000
      6     -20.8365      1.00000
      7     -20.7717      1.00000
      8     -20.6214      1.00000
      9     -20.0745      1.00000
     10     -20.0690      1.00000
     11     -19.7139      1.00000
     12     -19.6900      1.00000
     13     -18.9938      1.00000
     14     -18.9882      1.00000
     15     -18.6376      1.00000
     16     -18.6221      1.00000
     17     -18.4604      1.00000
     18     -17.6734      1.00000
     19     -17.6239      1.00000
     20     -17.6208      1.00000
     21     -17.5790      1.00000
     22     -17.1245      1.00000
     23     -17.1034      1.00000
     24     -16.9599      1.00000
     25     -16.0000      1.00000
     26     -15.9264      1.00000
     27     -15.5837      1.00000
     28     -15.5835      1.00000
     29     -15.2857      1.00000
     30     -14.8621      1.00000
     31     -14.8353      1.00000
     32     -14.5784      1.00000
     33     -14.5366      1.00000
     34     -14.1666      1.00000
     35     -14.1527      1.00000
     36     -13.1473      1.00000
     37     -13.0986      1.00000
     38     -13.0289      1.00000
     39     -13.0197      1.00000
     40     -12.7084      1.00000
     41     -12.7046      1.00000
     42     -12.3390      1.00000
     43     -12.3075      1.00000
     44     -11.6339      1.00000
     45     -11.6211      1.00000
     46     -11.5700      1.00000
     47     -10.9475      1.00000
     48     -10.9145      1.00000
     49     -10.6292      1.00000
     50     -10.6244      1.00000
     51     -10.5448      1.00000
     52     -10.4976      1.00000
     53     -10.4968      1.00000
     54     -10.4398      1.00000
     55     -10.3606      1.00000
     56     -10.0958      1.00000
     57      -9.9010      1.00000
     58      -9.6090      1.00000
     59      -9.5568      1.00000
     60      -9.4508      1.00000
     61      -9.4107      1.00000
     62      -9.4031      1.00000
     63      -9.3774      1.00000
     64      -9.3770      1.00000
     65      -9.2844      1.00000
     66      -9.1672      1.00000
     67      -9.1424      1.00000
     68      -9.1136      1.00000
     69      -8.8626      1.00000
     70      -8.8557      1.00000
     71      -8.8138      1.00000
     72      -8.5950      1.00000
     73      -8.4784      1.00000
     74      -8.1980      1.00000
     75      -8.1624      1.00000
     76      -8.0120      1.00000
     77      -7.9563      1.00000
     78      -7.8513      1.00000
     79      -7.8412      1.00000
     80      -7.7063      1.00000
     81      -7.6970      1.00000
     82      -7.6239      1.00000
     83      -7.4443      1.00000
     84      -7.3048      1.00000
     85      -7.2473      1.00000
     86      -6.9061      1.00000
     87      -6.8925      1.00000
     88      -6.5881      1.00000
     89      -6.5497      1.00000
     90      -6.4084      1.00000
     91      -6.2523      1.00000
     92      -6.2315      1.00000
     93      -6.2046      1.00000
     94      -6.0220      1.00000
     95      -5.5484      1.00000
     96      -5.4878      1.00000
     97      -5.3483      1.00000
     98      -5.2196      1.00000
     99      -4.9785      1.00000
    100      -4.7282      1.00000
    101      -4.6762      1.00000
    102      -4.3834      1.00000
    103      -4.1988      1.00000
    104      -3.8644      1.00000
    105      -3.5459      1.00000
    106      -3.5020      1.00000
    107      -2.2590      0.00000
    108      -1.4543      0.00000
    109      -1.3741      0.00000
    110      -1.2442      0.00000
    111      -1.0986      0.00000
    112      -0.9471      0.00000
    113      -0.8659      0.00000
    114      -0.8059      0.00000
    115      -0.1423      0.00000
    116       0.1066      0.00000
    117       0.2385      0.00000
    118       0.3738      0.00000
    119       0.6441      0.00000
    120       0.8314      0.00000
    121       0.9328      0.00000
    122       1.0546      0.00000
    123       1.2256      0.00000
    124       1.4348      0.00000
    125       1.5349      0.00000
    126       1.7621      0.00000
    127       1.7847      0.00000
    128       1.8600      0.00000
    129       1.9526      0.00000
    130       2.0327      0.00000
    131       2.1608      0.00000
    132       2.1835      0.00000
    133       2.3955      0.00000
    134       2.4543      0.00000
    135       2.5257      0.00000
    136       2.5999      0.00000
    137       2.6336      0.00000
    138       2.6867      0.00000
    139       2.7565      0.00000
    140       2.8160      0.00000
    141       2.9337      0.00000
    142       3.0627      0.00000
    143       3.1830      0.00000
    144       3.2015      0.00000
    145       3.2453      0.00000
    146       3.3002      0.00000
    147       3.3098      0.00000
    148       3.4499      0.00000
    149       3.4823      0.00000
    150       3.6883      0.00000
    151       3.6974      0.00000
    152       3.7135      0.00000
    153       3.8478      0.00000
    154       3.8975      0.00000
    155       3.9212      0.00000
    156       3.9702      0.00000
    157       4.0010      0.00000
    158       4.0257      0.00000
    159       4.0336      0.00000
    160       4.0478      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2066      1.00000
      2     -22.1143      1.00000
      3     -21.9535      1.00000
      4     -21.4011      1.00000
      5     -21.0463      1.00000
      6     -21.0112      1.00000
      7     -20.4973      1.00000
      8     -20.4587      1.00000
      9     -20.2921      1.00000
     10     -20.2731      1.00000
     11     -19.9547      1.00000
     12     -19.8890      1.00000
     13     -18.8799      1.00000
     14     -18.8112      1.00000
     15     -18.3503      1.00000
     16     -18.3051      1.00000
     17     -18.1509      1.00000
     18     -18.1339      1.00000
     19     -17.8246      1.00000
     20     -17.7878      1.00000
     21     -17.2505      1.00000
     22     -17.2399      1.00000
     23     -17.1641      1.00000
     24     -17.1310      1.00000
     25     -16.1075      1.00000
     26     -15.8826      1.00000
     27     -15.8679      1.00000
     28     -15.8329      1.00000
     29     -15.2360      1.00000
     30     -14.5529      1.00000
     31     -14.5257      1.00000
     32     -14.2799      1.00000
     33     -13.9633      1.00000
     34     -13.9550      1.00000
     35     -13.8202      1.00000
     36     -13.8035      1.00000
     37     -13.6132      1.00000
     38     -13.5700      1.00000
     39     -13.3669      1.00000
     40     -12.6322      1.00000
     41     -12.1798      1.00000
     42     -12.1324      1.00000
     43     -12.0700      1.00000
     44     -12.0172      1.00000
     45     -11.6694      1.00000
     46     -11.6561      1.00000
     47     -11.1378      1.00000
     48     -11.1179      1.00000
     49     -10.7931      1.00000
     50     -10.7289      1.00000
     51     -10.5219      1.00000
     52     -10.2090      1.00000
     53     -10.2041      1.00000
     54     -10.1621      1.00000
     55     -10.0171      1.00000
     56     -10.0024      1.00000
     57      -9.9889      1.00000
     58      -9.8010      1.00000
     59      -9.7974      1.00000
     60      -9.7624      1.00000
     61      -9.7577      1.00000
     62      -9.4530      1.00000
     63      -9.4140      1.00000
     64      -9.0773      1.00000
     65      -9.0726      1.00000
     66      -9.0407      1.00000
     67      -8.9548      1.00000
     68      -8.8750      1.00000
     69      -8.7119      1.00000
     70      -8.6999      1.00000
     71      -8.5646      1.00000
     72      -8.5422      1.00000
     73      -8.4975      1.00000
     74      -8.4630      1.00000
     75      -8.4532      1.00000
     76      -8.2575      1.00000
     77      -8.1240      1.00000
     78      -8.0410      1.00000
     79      -7.9159      1.00000
     80      -7.8611      1.00000
     81      -7.6156      1.00000
     82      -7.5475      1.00000
     83      -7.4950      1.00000
     84      -7.2617      1.00000
     85      -6.9959      1.00000
     86      -6.9248      1.00000
     87      -6.8834      1.00000
     88      -6.5327      1.00000
     89      -6.4866      1.00000
     90      -6.4606      1.00000
     91      -6.4090      1.00000
     92      -5.9818      1.00000
     93      -5.8963      1.00000
     94      -5.7840      1.00000
     95      -5.7585      1.00000
     96      -5.4294      1.00000
     97      -5.3280      1.00000
     98      -5.2300      1.00000
     99      -5.2172      1.00000
    100      -5.1876      1.00000
    101      -4.6886      1.00000
    102      -4.4160      1.00000
    103      -4.2051      1.00000
    104      -3.8267      1.00000
    105      -3.5212      1.00000
    106      -3.2748      1.00000
    107      -2.5333      0.00000
    108      -1.4560      0.00000
    109      -1.2695      0.00000
    110      -1.2050      0.00000
    111      -1.1745      0.00000
    112      -0.7209      0.00000
    113      -0.5062      0.00000
    114      -0.4146      0.00000
    115      -0.3418      0.00000
    116      -0.1487      0.00000
    117      -0.0058      0.00000
    118       0.1895      0.00000
    119       0.5569      0.00000
    120       0.6089      0.00000
    121       0.7898      0.00000
    122       0.8967      0.00000
    123       1.1231      0.00000
    124       1.4780      0.00000
    125       1.6218      0.00000
    126       1.8285      0.00000
    127       1.9129      0.00000
    128       2.0907      0.00000
    129       2.1022      0.00000
    130       2.1450      0.00000
    131       2.1849      0.00000
    132       2.2753      0.00000
    133       2.3301      0.00000
    134       2.4648      0.00000
    135       2.5729      0.00000
    136       2.6442      0.00000
    137       2.8413      0.00000
    138       2.8650      0.00000
    139       2.8838      0.00000
    140       2.9881      0.00000
    141       3.0042      0.00000
    142       3.1290      0.00000
    143       3.1734      0.00000
    144       3.2156      0.00000
    145       3.2608      0.00000
    146       3.2747      0.00000
    147       3.2939      0.00000
    148       3.3377      0.00000
    149       3.4088      0.00000
    150       3.4273      0.00000
    151       3.5310      0.00000
    152       3.6090      0.00000
    153       3.6999      0.00000
    154       3.7190      0.00000
    155       3.7569      0.00000
    156       3.8866      0.00000
    157       3.9167      0.00000
    158       3.9871      0.00000
    159       4.1092      0.00000
    160       4.2012      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3136      1.00000
      2     -21.9607      1.00000
      3     -21.8890      1.00000
      4     -21.3810      1.00000
      5     -21.3454      1.00000
      6     -20.8363      1.00000
      7     -20.7700      1.00000
      8     -20.6219      1.00000
      9     -20.0866      1.00000
     10     -20.0584      1.00000
     11     -19.7154      1.00000
     12     -19.6872      1.00000
     13     -19.0070      1.00000
     14     -18.9766      1.00000
     15     -18.6474      1.00000
     16     -18.6153      1.00000
     17     -18.4582      1.00000
     18     -17.6584      1.00000
     19     -17.6445      1.00000
     20     -17.6088      1.00000
     21     -17.5757      1.00000
     22     -17.1354      1.00000
     23     -17.0961      1.00000
     24     -16.9650      1.00000
     25     -16.0075      1.00000
     26     -15.9206      1.00000
     27     -15.5964      1.00000
     28     -15.5734      1.00000
     29     -15.2783      1.00000
     30     -14.8746      1.00000
     31     -14.8284      1.00000
     32     -14.5736      1.00000
     33     -14.5352      1.00000
     34     -14.1631      1.00000
     35     -14.1583      1.00000
     36     -13.1612      1.00000
     37     -13.0938      1.00000
     38     -13.0213      1.00000
     39     -13.0175      1.00000
     40     -12.7164      1.00000
     41     -12.6936      1.00000
     42     -12.3390      1.00000
     43     -12.3113      1.00000
     44     -11.6313      1.00000
     45     -11.6220      1.00000
     46     -11.5683      1.00000
     47     -10.9398      1.00000
     48     -10.9214      1.00000
     49     -10.6641      1.00000
     50     -10.5895      1.00000
     51     -10.5712      1.00000
     52     -10.5004      1.00000
     53     -10.4868      1.00000
     54     -10.4390      1.00000
     55     -10.3544      1.00000
     56     -10.1001      1.00000
     57      -9.8952      1.00000
     58      -9.6072      1.00000
     59      -9.5493      1.00000
     60      -9.4509      1.00000
     61      -9.4185      1.00000
     62      -9.4075      1.00000
     63      -9.3788      1.00000
     64      -9.3708      1.00000
     65      -9.2650      1.00000
     66      -9.1653      1.00000
     67      -9.1417      1.00000
     68      -9.1152      1.00000
     69      -8.8656      1.00000
     70      -8.8597      1.00000
     71      -8.8005      1.00000
     72      -8.5938      1.00000
     73      -8.5235      1.00000
     74      -8.1932      1.00000
     75      -8.1703      1.00000
     76      -8.0775      1.00000
     77      -7.8578      1.00000
     78      -7.8363      1.00000
     79      -7.8195      1.00000
     80      -7.7107      1.00000
     81      -7.6963      1.00000
     82      -7.6004      1.00000
     83      -7.5236      1.00000
     84      -7.3507      1.00000
     85      -7.1650      1.00000
     86      -6.9057      1.00000
     87      -6.8962      1.00000
     88      -6.5925      1.00000
     89      -6.5500      1.00000
     90      -6.4061      1.00000
     91      -6.3012      1.00000
     92      -6.2468      1.00000
     93      -6.2023      1.00000
     94      -6.0024      1.00000
     95      -5.5297      1.00000
     96      -5.4645      1.00000
     97      -5.3124      1.00000
     98      -5.2089      1.00000
     99      -5.0442      1.00000
    100      -4.7212      1.00000
    101      -4.6697      1.00000
    102      -4.4181      1.00000
    103      -4.1912      1.00000
    104      -3.8360      1.00000
    105      -3.6310      1.00000
    106      -3.4134      1.00000
    107      -2.2933      0.00000
    108      -1.5080      0.00000
    109      -1.2720      0.00000
    110      -1.2654      0.00000
    111      -1.0356      0.00000
    112      -0.9805      0.00000
    113      -0.8703      0.00000
    114      -0.8023      0.00000
    115      -0.2632      0.00000
    116       0.2012      0.00000
    117       0.2363      0.00000
    118       0.3555      0.00000
    119       0.6821      0.00000
    120       0.8898      0.00000
    121       0.9194      0.00000
    122       1.0336      0.00000
    123       1.1571      0.00000
    124       1.4991      0.00000
    125       1.5439      0.00000
    126       1.6953      0.00000
    127       1.7742      0.00000
    128       1.8252      0.00000
    129       1.9539      0.00000
    130       1.9701      0.00000
    131       2.1740      0.00000
    132       2.2430      0.00000
    133       2.3988      0.00000
    134       2.4593      0.00000
    135       2.5259      0.00000
    136       2.5944      0.00000
    137       2.6140      0.00000
    138       2.6895      0.00000
    139       2.7377      0.00000
    140       2.8416      0.00000
    141       3.0232      0.00000
    142       3.0621      0.00000
    143       3.1765      0.00000
    144       3.2320      0.00000
    145       3.2474      0.00000
    146       3.2796      0.00000
    147       3.3293      0.00000
    148       3.4339      0.00000
    149       3.5048      0.00000
    150       3.6828      0.00000
    151       3.7106      0.00000
    152       3.7289      0.00000
    153       3.8167      0.00000
    154       3.8762      0.00000
    155       3.9112      0.00000
    156       3.9645      0.00000
    157       3.9969      0.00000
    158       4.0308      0.00000
    159       4.0329      0.00000
    160       4.0791      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3858      1.00000
      2     -21.8271      1.00000
      3     -21.6377      1.00000
      4     -21.6036      1.00000
      5     -21.2753      1.00000
      6     -21.2290      1.00000
      7     -21.0532      1.00000
      8     -20.1680      1.00000
      9     -20.1228      1.00000
     10     -19.6142      1.00000
     11     -19.5886      1.00000
     12     -19.4126      1.00000
     13     -19.0915      1.00000
     14     -19.0536      1.00000
     15     -19.0494      1.00000
     16     -19.0365      1.00000
     17     -18.3645      1.00000
     18     -18.3452      1.00000
     19     -18.0141      1.00000
     20     -17.0698      1.00000
     21     -17.0218      1.00000
     22     -16.9481      1.00000
     23     -16.9346      1.00000
     24     -16.4741      1.00000
     25     -16.4622      1.00000
     26     -15.6075      1.00000
     27     -15.6070      1.00000
     28     -15.2478      1.00000
     29     -15.2360      1.00000
     30     -15.1888      1.00000
     31     -15.0990      1.00000
     32     -15.0666      1.00000
     33     -14.6969      1.00000
     34     -14.6960      1.00000
     35     -13.7238      1.00000
     36     -13.7238      1.00000
     37     -13.2331      1.00000
     38     -12.6228      1.00000
     39     -12.5795      1.00000
     40     -12.4521      1.00000
     41     -12.4468      1.00000
     42     -12.1043      1.00000
     43     -12.0995      1.00000
     44     -11.7205      1.00000
     45     -11.6825      1.00000
     46     -11.2448      1.00000
     47     -11.2249      1.00000
     48     -11.0154      1.00000
     49     -11.0039      1.00000
     50     -10.9263      1.00000
     51     -10.8981      1.00000
     52     -10.6311      1.00000
     53     -10.1703      1.00000
     54     -10.1477      1.00000
     55     -10.0843      1.00000
     56      -9.9869      1.00000
     57      -9.6945      1.00000
     58      -9.6874      1.00000
     59      -9.6683      1.00000
     60      -9.5923      1.00000
     61      -9.5683      1.00000
     62      -9.5510      1.00000
     63      -9.3108      1.00000
     64      -9.2985      1.00000
     65      -9.2800      1.00000
     66      -9.2438      1.00000
     67      -9.1200      1.00000
     68      -9.1108      1.00000
     69      -9.1093      1.00000
     70      -8.9370      1.00000
     71      -8.8761      1.00000
     72      -8.6054      1.00000
     73      -8.5871      1.00000
     74      -8.2713      1.00000
     75      -8.1003      1.00000
     76      -7.8688      1.00000
     77      -7.8419      1.00000
     78      -7.7897      1.00000
     79      -7.7646      1.00000
     80      -7.7550      1.00000
     81      -7.4385      1.00000
     82      -7.3338      1.00000
     83      -7.3225      1.00000
     84      -7.2644      1.00000
     85      -7.1657      1.00000
     86      -7.0166      1.00000
     87      -6.9849      1.00000
     88      -6.7161      1.00000
     89      -6.6915      1.00000
     90      -6.6302      1.00000
     91      -6.5891      1.00000
     92      -6.1169      1.00000
     93      -6.0587      1.00000
     94      -6.0441      1.00000
     95      -6.0296      1.00000
     96      -5.7468      1.00000
     97      -4.9688      1.00000
     98      -4.8375      1.00000
     99      -4.7083      1.00000
    100      -4.6728      1.00000
    101      -4.4784      1.00000
    102      -4.3461      1.00000
    103      -4.1117      1.00000
    104      -4.0547      1.00000
    105      -3.7502      1.00000
    106      -3.4591      1.00000
    107      -1.9493      0.00000
    108      -1.7731      0.00000
    109      -1.4817      0.00000
    110      -1.3573      0.00000
    111      -1.3389      0.00000
    112      -1.2946      0.00000
    113      -0.6806      0.00000
    114      -0.4724      0.00000
    115      -0.2378      0.00000
    116       0.0475      0.00000
    117       0.5781      0.00000
    118       0.6899      0.00000
    119       0.7652      0.00000
    120       1.0150      0.00000
    121       1.0942      0.00000
    122       1.1698      0.00000
    123       1.2446      0.00000
    124       1.3291      0.00000
    125       1.4230      0.00000
    126       1.5763      0.00000
    127       1.7550      0.00000
    128       1.8364      0.00000
    129       1.8557      0.00000
    130       1.8810      0.00000
    131       2.0363      0.00000
    132       2.2058      0.00000
    133       2.2168      0.00000
    134       2.2671      0.00000
    135       2.4677      0.00000
    136       2.5970      0.00000
    137       2.6343      0.00000
    138       2.7317      0.00000
    139       2.7743      0.00000
    140       2.8308      0.00000
    141       2.8377      0.00000
    142       2.8661      0.00000
    143       2.9401      0.00000
    144       3.0611      0.00000
    145       3.2904      0.00000
    146       3.3473      0.00000
    147       3.3922      0.00000
    148       3.4088      0.00000
    149       3.4094      0.00000
    150       3.5745      0.00000
    151       3.6379      0.00000
    152       3.6544      0.00000
    153       3.7151      0.00000
    154       3.8811      0.00000
    155       3.9054      0.00000
    156       3.9410      0.00000
    157       4.0942      0.00000
    158       4.1847      0.00000
    159       4.2275      0.00000
    160       4.2694      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2056      1.00000
      2     -22.1157      1.00000
      3     -21.9532      1.00000
      4     -21.4013      1.00000
      5     -21.0425      1.00000
      6     -21.0148      1.00000
      7     -20.4926      1.00000
      8     -20.4634      1.00000
      9     -20.2829      1.00000
     10     -20.2811      1.00000
     11     -19.9539      1.00000
     12     -19.8911      1.00000
     13     -18.8809      1.00000
     14     -18.8139      1.00000
     15     -18.3348      1.00000
     16     -18.3161      1.00000
     17     -18.1468      1.00000
     18     -18.1394      1.00000
     19     -17.8132      1.00000
     20     -17.7955      1.00000
     21     -17.2566      1.00000
     22     -17.2374      1.00000
     23     -17.1581      1.00000
     24     -17.1343      1.00000
     25     -16.1132      1.00000
     26     -15.8781      1.00000
     27     -15.8674      1.00000
     28     -15.8400      1.00000
     29     -15.2294      1.00000
     30     -14.5495      1.00000
     31     -14.5316      1.00000
     32     -14.2745      1.00000
     33     -13.9729      1.00000
     34     -13.9492      1.00000
     35     -13.8240      1.00000
     36     -13.8013      1.00000
     37     -13.6026      1.00000
     38     -13.5778      1.00000
     39     -13.3668      1.00000
     40     -12.6358      1.00000
     41     -12.1680      1.00000
     42     -12.1419      1.00000
     43     -12.0662      1.00000
     44     -12.0195      1.00000
     45     -11.6629      1.00000
     46     -11.6586      1.00000
     47     -11.1363      1.00000
     48     -11.1259      1.00000
     49     -10.7898      1.00000
     50     -10.7339      1.00000
     51     -10.5290      1.00000
     52     -10.2063      1.00000
     53     -10.2004      1.00000
     54     -10.1677      1.00000
     55     -10.0201      1.00000
     56      -9.9918      1.00000
     57      -9.9883      1.00000
     58      -9.8037      1.00000
     59      -9.7943      1.00000
     60      -9.7649      1.00000
     61      -9.7571      1.00000
     62      -9.4548      1.00000
     63      -9.4142      1.00000
     64      -9.0830      1.00000
     65      -9.0445      1.00000
     66      -9.0238      1.00000
     67      -8.9695      1.00000
     68      -8.8951      1.00000
     69      -8.7067      1.00000
     70      -8.6978      1.00000
     71      -8.5604      1.00000
     72      -8.5499      1.00000
     73      -8.4776      1.00000
     74      -8.4593      1.00000
     75      -8.4555      1.00000
     76      -8.3035      1.00000
     77      -8.0919      1.00000
     78      -8.0886      1.00000
     79      -7.9263      1.00000
     80      -7.8324      1.00000
     81      -7.5990      1.00000
     82      -7.5381      1.00000
     83      -7.4522      1.00000
     84      -7.3033      1.00000
     85      -6.9931      1.00000
     86      -6.9198      1.00000
     87      -6.8813      1.00000
     88      -6.5291      1.00000
     89      -6.5149      1.00000
     90      -6.4821      1.00000
     91      -6.4200      1.00000
     92      -5.9248      1.00000
     93      -5.9036      1.00000
     94      -5.7880      1.00000
     95      -5.7736      1.00000
     96      -5.3674      1.00000
     97      -5.3607      1.00000
     98      -5.2194      1.00000
     99      -5.2151      1.00000
    100      -5.1981      1.00000
    101      -4.7175      1.00000
    102      -4.4354      1.00000
    103      -4.1875      1.00000
    104      -3.8129      1.00000
    105      -3.5583      1.00000
    106      -3.2233      1.00000
    107      -2.5629      0.00000
    108      -1.4610      0.00000
    109      -1.2699      0.00000
    110      -1.1876      0.00000
    111      -1.1857      0.00000
    112      -0.6464      0.00000
    113      -0.5550      0.00000
    114      -0.4169      0.00000
    115      -0.3501      0.00000
    116      -0.0807      0.00000
    117      -0.0669      0.00000
    118       0.1234      0.00000
    119       0.5898      0.00000
    120       0.6227      0.00000
    121       0.8457      0.00000
    122       0.9767      0.00000
    123       0.9950      0.00000
    124       1.4832      0.00000
    125       1.6694      0.00000
    126       1.7435      0.00000
    127       1.8393      0.00000
    128       2.0931      0.00000
    129       2.1405      0.00000
    130       2.1829      0.00000
    131       2.2063      0.00000
    132       2.2511      0.00000
    133       2.3440      0.00000
    134       2.4857      0.00000
    135       2.5073      0.00000
    136       2.6482      0.00000
    137       2.8490      0.00000
    138       2.8549      0.00000
    139       2.9409      0.00000
    140       2.9759      0.00000
    141       3.0149      0.00000
    142       3.1258      0.00000
    143       3.1872      0.00000
    144       3.2265      0.00000
    145       3.2344      0.00000
    146       3.2711      0.00000
    147       3.2969      0.00000
    148       3.3454      0.00000
    149       3.4006      0.00000
    150       3.5327      0.00000
    151       3.5516      0.00000
    152       3.6321      0.00000
    153       3.6461      0.00000
    154       3.6957      0.00000
    155       3.7168      0.00000
    156       3.8884      0.00000
    157       3.9365      0.00000
    158       4.0153      0.00000
    159       4.0554      0.00000
    160       4.1620      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2794      1.00000
      2     -22.0751      1.00000
      3     -21.7164      1.00000
      4     -21.6782      1.00000
      5     -20.9792      1.00000
      6     -20.9323      1.00000
      7     -20.6079      1.00000
      8     -20.5759      1.00000
      9     -20.5629      1.00000
     10     -20.0291      1.00000
     11     -19.5105      1.00000
     12     -19.4812      1.00000
     13     -19.3090      1.00000
     14     -19.2962      1.00000
     15     -18.4466      1.00000
     16     -18.4042      1.00000
     17     -17.9254      1.00000
     18     -17.9054      1.00000
     19     -17.7631      1.00000
     20     -17.7189      1.00000
     21     -17.4398      1.00000
     22     -17.4216      1.00000
     23     -17.3359      1.00000
     24     -16.4701      1.00000
     25     -16.4599      1.00000
     26     -15.9674      1.00000
     27     -15.4092      1.00000
     28     -15.4083      1.00000
     29     -15.0944      1.00000
     30     -15.0914      1.00000
     31     -14.8514      1.00000
     32     -14.8395      1.00000
     33     -14.2956      1.00000
     34     -14.2526      1.00000
     35     -13.4424      1.00000
     36     -13.3994      1.00000
     37     -13.1740      1.00000
     38     -13.1727      1.00000
     39     -12.9824      1.00000
     40     -12.9736      1.00000
     41     -12.6098      1.00000
     42     -12.6078      1.00000
     43     -12.1949      1.00000
     44     -11.5783      1.00000
     45     -11.5378      1.00000
     46     -11.3123      1.00000
     47     -11.2824      1.00000
     48     -11.1401      1.00000
     49     -10.6901      1.00000
     50     -10.6634      1.00000
     51     -10.5428      1.00000
     52     -10.3201      1.00000
     53     -10.3127      1.00000
     54     -10.1724      1.00000
     55     -10.1217      1.00000
     56     -10.1083      1.00000
     57      -9.8083      1.00000
     58      -9.7501      1.00000
     59      -9.7501      1.00000
     60      -9.7008      1.00000
     61      -9.6971      1.00000
     62      -9.6443      1.00000
     63      -9.3510      1.00000
     64      -9.3496      1.00000
     65      -9.3187      1.00000
     66      -9.0258      1.00000
     67      -8.9602      1.00000
     68      -8.9554      1.00000
     69      -8.7733      1.00000
     70      -8.5926      1.00000
     71      -8.5845      1.00000
     72      -8.4204      1.00000
     73      -8.3478      1.00000
     74      -8.3217      1.00000
     75      -8.3011      1.00000
     76      -8.2662      1.00000
     77      -8.2549      1.00000
     78      -8.2403      1.00000
     79      -7.9241      1.00000
     80      -7.7354      1.00000
     81      -7.3788      1.00000
     82      -7.3493      1.00000
     83      -7.3130      1.00000
     84      -7.2169      1.00000
     85      -7.1584      1.00000
     86      -7.0676      1.00000
     87      -6.9593      1.00000
     88      -6.9068      1.00000
     89      -6.6153      1.00000
     90      -6.5560      1.00000
     91      -6.2730      1.00000
     92      -5.9946      1.00000
     93      -5.9580      1.00000
     94      -5.6738      1.00000
     95      -5.6472      1.00000
     96      -5.3855      1.00000
     97      -5.3136      1.00000
     98      -5.2926      1.00000
     99      -5.2115      1.00000
    100      -5.1997      1.00000
    101      -4.5035      1.00000
    102      -4.3320      1.00000
    103      -3.9957      1.00000
    104      -3.8851      1.00000
    105      -3.7881      1.00000
    106      -3.4381      1.00000
    107      -2.0333      0.00000
    108      -1.8653      0.00000
    109      -1.2176      0.00000
    110      -1.1866      0.00000
    111      -1.0379      0.00000
    112      -0.7742      0.00000
    113      -0.6805      0.00000
    114      -0.6621      0.00000
    115      -0.6119      0.00000
    116      -0.1054      0.00000
    117       0.2199      0.00000
    118       0.2359      0.00000
    119       0.7602      0.00000
    120       0.9755      0.00000
    121       1.0710      0.00000
    122       1.2354      0.00000
    123       1.2465      0.00000
    124       1.3300      0.00000
    125       1.5690      0.00000
    126       1.5811      0.00000
    127       1.6850      0.00000
    128       1.7800      0.00000
    129       1.9310      0.00000
    130       1.9397      0.00000
    131       2.0800      0.00000
    132       2.2903      0.00000
    133       2.3376      0.00000
    134       2.4061      0.00000
    135       2.5195      0.00000
    136       2.6172      0.00000
    137       2.7615      0.00000
    138       2.8192      0.00000
    139       2.8327      0.00000
    140       2.8523      0.00000
    141       3.0259      0.00000
    142       3.0882      0.00000
    143       3.1345      0.00000
    144       3.2021      0.00000
    145       3.3614      0.00000
    146       3.4034      0.00000
    147       3.4844      0.00000
    148       3.5214      0.00000
    149       3.5818      0.00000
    150       3.5948      0.00000
    151       3.6254      0.00000
    152       3.7226      0.00000
    153       3.7295      0.00000
    154       3.7625      0.00000
    155       3.8097      0.00000
    156       3.8635      0.00000
    157       4.0068      0.00000
    158       4.0732      0.00000
    159       4.1530      0.00000
    160       4.1874      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0436   -7.3967    4.1995   -1.2767   -0.2384   17.6013    0.1396   -0.5294    0.6316   -0.4648
x    -3.0915   -0.0371   -0.0632    0.0619   -0.0110   -2.9778   -0.0098   -0.0068    0.0048    0.0016
x    -0.0966    0.0017   -0.0013    0.0004    0.0002   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0436    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0005   -0.0941   -0.0089    0.0372    0.0392
y    -0.0450   -3.2443   -0.5413   -0.1645   -1.1940   -0.6058
z   204.0436    1.1071   -0.3116    0.0491    0.0207    0.0867   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1125    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7808
z    -0.2198    0.2319   -0.0554    0.0612   -0.0902    0.0008
 total charge-density along one line
x   212.0000  -10.2278    6.1481   -2.0869   -0.4742   19.5188   -1.0051    0.4785   -0.0482   -0.1247
x    -2.6450   -0.0274   -0.0610    0.0848   -0.0547   -2.2244   -0.0243   -0.0023    0.0051    0.0021
x    -0.0895    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2278    6.1481   -2.0869   -0.4742   19.5189   -1.0051    0.4785   -0.0482   -0.1247
y    -2.6449   -0.0274   -0.0610    0.0848   -0.0547   -2.2244   -0.0243   -0.0023    0.0051    0.0021
y    -0.0895    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3209  188.8883 -170.1408  154.0543 -140.5048  126.8051 -111.4229   95.0648  -79.2555
z    64.8749  -52.0780   40.9787  -31.9118   25.0398  -19.9730   15.9438  -12.3477    9.0735   -6.3493
z     4.3505   -2.9860    2.0030   -1.2132    0.5851   -0.1555   -0.0929    0.2479   -0.3867    0.5125
z    -0.5772    0.5536   -0.4733    0.3957   -0.3539    0.3356   -0.3103    0.2651   -0.2125    0.1704
z    -0.1438    0.1247   -0.1045    0.0829   -0.0653    0.0545   -0.0484    0.0427   -0.0357    0.0289
z    -0.0241    0.0211   -0.0187    0.0159   -0.0129    0.0103   -0.0082    0.0064   -0.0048    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.096   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.628   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.132   0.000  -0.034  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.132   0.000   0.414   0.000   0.077   0.587  -0.238   0.000   0.063   0.000   0.000
  0.000  -0.310   0.000   0.628   0.000   0.000  -0.191   0.000   0.376   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.587   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.096   0.000   0.026  -0.093   0.000   0.063   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.013   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.031   8.933
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.645
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.783   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.646
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.646
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.782   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.639
 42        0.864   1.774   0.000   2.638
 43        0.864   1.783   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.645
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.645
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.862  89.399   8.031 142.291
 


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


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


    CHARGE:  VPU time   91.72: CPU time   46.25
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  368.28: CPU time  184.51
    STRESS:  VPU time 1111.03: CPU time  558.23
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force =-0.1210964E-04[-0.143E-04,-0.992E-05]  d Energy =-0.5788170E-05-0.632E-05
 d Force =-0.9935430E-01[-0.993E-01,-0.994E-01]  d Ewald  = 0.3874060E+01-0.397E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726568 eV

  energy  without entropy=     -471.726568  energy(sigma->0) =     -471.726568
 

  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    40787.28  40745.49 -47483.74    -36.19      0.00      0.00
  Hartree  40213.53  40197.39 -39471.35    -13.98      0.00      0.00
  E(xc)     -779.35   -779.64   -807.29     -0.25      0.00      0.00
  Local   -83285.01 -83236.07  84270.09     42.38      0.00      0.00
  n-local   -216.74   -215.59   -203.45      0.72      0.00      0.00
  augment     20.07     22.06     17.82      1.72      0.00      0.00
  Kinetic   3161.91   3175.39   3583.51      3.32      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.65     -0.77     -0.47     -0.11      0.00      0.00
  in kB       -0.39     -0.47     -0.29     -0.07      0.00      0.00
  external pressure =       -0.38 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
    12.347418636  0.001420800  0.000000000     0.080983209  0.046743321  0.000000000
    -6.172485512 10.693884599  0.000000000    -0.000010760  0.093505178  0.000000000
     0.000000000  0.000000000 19.977652634     0.000000000  0.000000000  0.050055931

  length of vectors
    12.347418718 12.347418564 19.977652634     0.093505178  0.093505179  0.050055931


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.365E-05 -.493E-04 -.950E+03   0.420E-05 -.275E-04 0.959E+03   0.425E-21 -.169E-20 -.867E+01   0.826E-07 -.494E-07 -.639E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.889E+00 -.253E+01   -.421E-03 0.242E-03 -.613E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.889E+00 -.253E+01   0.421E-03 -.242E-03 -.613E-03
   -.202E+01 0.116E+01 0.135E+02   0.202E+01 -.116E+01 -.135E+02   0.293E-05 -.169E-05 -.342E-01   0.787E-03 -.457E-03 -.366E-03
   0.621E+01 0.685E+01 0.164E+02   -.621E+01 -.688E+01 -.164E+02   0.842E-03 0.175E-01 -.374E-01   0.414E-03 -.687E-03 -.195E-03
   0.112E+02 0.508E+01 0.166E+02   -.112E+02 -.508E+01 -.165E+02   0.179E-01 0.926E-02 -.482E-01   0.801E-03 -.637E-03 0.210E-03
   0.468E+01 -.873E+00 0.154E+02   -.470E+01 0.881E+00 -.154E+02   0.144E-01 -.642E-02 -.928E-02   0.998E-03 -.610E-03 0.448E-03
   -.305E+01 -.251E+01 0.138E+02   0.305E+01 0.251E+01 -.138E+02   0.885E-03 0.180E-02 -.453E-02   0.117E-02 -.635E-03 0.134E-03
   0.647E+00 0.390E+01 0.138E+02   -.646E+00 -.390E+01 -.138E+02   -.111E-02 -.166E-02 -.453E-02   0.113E-02 -.698E-03 0.130E-03
   0.246E+01 0.188E+02 0.226E+02   -.246E+01 -.189E+02 -.225E+02   -.123E-02 0.981E-01 -.410E-01   0.961E-03 -.108E-02 0.147E-03
   0.226E+02 0.213E+02 0.403E+02   -.227E+02 -.216E+02 -.402E+02   0.744E-01 0.256E+00 -.733E-01   0.660E-03 -.105E-02 -.399E-03
   0.266E+02 -.342E+01 0.259E+02   -.269E+02 0.352E+01 -.258E+02   0.265E+00 -.108E+00 -.388E-01   0.413E-03 -.255E-03 0.317E-03
   0.910E+01 -.525E+01 0.156E+02   -.914E+01 0.528E+01 -.155E+02   0.418E-01 -.242E-01 -.150E-01   0.115E-02 -.672E-03 0.258E-03
   0.310E+01 -.362E+01 0.154E+02   -.311E+01 0.363E+01 -.154E+02   0.127E-01 -.923E-02 -.928E-02   0.103E-02 -.564E-03 0.440E-03
   -.589E+01 0.135E+02 0.177E+02   0.589E+01 -.136E+02 -.176E+02   0.204E-03 0.702E-01 -.447E-01   0.147E-02 -.543E-03 0.637E-04
   -.118E+02 0.359E+02 0.467E+02   0.118E+02 -.365E+02 -.470E+02   -.310E-01 0.602E+00 0.297E+00   0.169E-02 -.947E-03 0.337E-03
   0.234E+02 -.135E+02 0.915E+02   -.241E+02 0.139E+02 -.935E+02   0.630E+00 -.363E+00 0.202E+01   0.268E-03 -.157E-03 0.824E-03
   0.163E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.258E+02   0.226E+00 -.175E+00 -.388E-01   0.425E-03 -.238E-03 0.312E-03
   0.119E+01 -.122E+02 0.166E+02   -.120E+01 0.122E+02 -.165E+02   0.910E-03 -.201E-01 -.482E-01   0.956E-03 -.377E-03 0.205E-03
   -.412E+01 0.190E+01 0.142E+02   0.412E+01 -.191E+01 -.141E+02   0.106E-02 0.100E-01 -.327E-01   0.891E-03 -.537E-03 0.441E-03
   -.191E+02 0.110E+02 0.224E+02   0.192E+02 -.111E+02 -.224E+02   -.504E-01 0.291E-01 -.484E-01   0.133E-02 -.763E-03 -.145E-03
   -.370E+02 -.775E+01 0.467E+02   0.375E+02 0.802E+01 -.470E+02   -.537E+00 -.274E+00 0.297E+00   0.167E-02 -.987E-03 0.340E-03
   -.717E+01 -.302E+02 0.403E+02   0.735E+01 0.304E+02 -.402E+02   -.185E+00 -.193E+00 -.733E-01   0.124E-02 -.499E-04 -.400E-03
   -.283E+01 -.880E+01 0.164E+02   0.285E+01 0.881E+01 -.164E+02   -.147E-01 -.946E-02 -.374E-01   0.804E-03 -.173E-04 -.196E-03
   0.140E+01 -.809E+00 0.129E+02   -.140E+01 0.810E+00 -.129E+02   0.748E-03 -.432E-03 -.312E-01   0.918E-03 -.528E-03 -.258E-03
   -.370E+01 0.262E+01 0.142E+02   0.371E+01 -.261E+01 -.141E+02   -.816E-02 -.594E-02 -.327E-01   0.912E-03 -.498E-03 0.445E-03
   -.147E+02 -.166E+01 0.177E+02   0.147E+02 0.170E+01 -.176E+02   -.607E-01 -.353E-01 -.447E-01   0.121E-02 -.100E-02 0.705E-04
   -.150E+02 -.115E+02 0.226E+02   0.151E+02 0.116E+02 -.225E+02   -.856E-01 -.480E-01 -.410E-01   0.142E-02 -.297E-03 0.149E-03
   0.283E+01 0.880E+01 0.164E+02   -.285E+01 -.881E+01 -.164E+02   0.147E-01 0.946E-02 -.374E-01   -.804E-03 0.173E-04 -.196E-03
   0.150E+02 0.115E+02 0.226E+02   -.151E+02 -.116E+02 -.225E+02   0.856E-01 0.480E-01 -.410E-01   -.142E-02 0.297E-03 0.149E-03
   0.147E+02 0.166E+01 0.177E+02   -.147E+02 -.170E+01 -.176E+02   0.607E-01 0.353E-01 -.447E-01   -.121E-02 0.100E-02 0.705E-04
   0.370E+01 -.262E+01 0.142E+02   -.371E+01 0.261E+01 -.141E+02   0.816E-02 0.594E-02 -.327E-01   -.912E-03 0.498E-03 0.445E-03
   -.140E+01 0.809E+00 0.129E+02   0.140E+01 -.810E+00 -.129E+02   -.748E-03 0.432E-03 -.312E-01   -.917E-03 0.528E-03 -.258E-03
   -.119E+01 0.122E+02 0.166E+02   0.120E+01 -.122E+02 -.165E+02   -.910E-03 0.201E-01 -.482E-01   -.956E-03 0.377E-03 0.205E-03
   0.717E+01 0.302E+02 0.403E+02   -.735E+01 -.304E+02 -.402E+02   0.185E+00 0.193E+00 -.733E-01   -.125E-02 0.499E-04 -.400E-03
   0.370E+02 0.775E+01 0.467E+02   -.375E+02 -.802E+01 -.470E+02   0.537E+00 0.274E+00 0.297E+00   -.167E-02 0.987E-03 0.340E-03
   0.191E+02 -.110E+02 0.224E+02   -.192E+02 0.111E+02 -.224E+02   0.504E-01 -.291E-01 -.484E-01   -.133E-02 0.763E-03 -.145E-03
   0.412E+01 -.190E+01 0.142E+02   -.412E+01 0.191E+01 -.141E+02   -.106E-02 -.100E-01 -.327E-01   -.891E-03 0.537E-03 0.441E-03
   -.310E+01 0.362E+01 0.154E+02   0.311E+01 -.363E+01 -.154E+02   -.127E-01 0.923E-02 -.928E-02   -.103E-02 0.564E-03 0.440E-03
   -.163E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.258E+02   -.226E+00 0.175E+00 -.388E-01   -.425E-03 0.238E-03 0.312E-03
   -.234E+02 0.135E+02 0.915E+02   0.241E+02 -.139E+02 -.935E+02   -.630E+00 0.363E+00 0.202E+01   -.268E-03 0.157E-03 0.824E-03
   0.118E+02 -.359E+02 0.467E+02   -.118E+02 0.365E+02 -.470E+02   0.310E-01 -.602E+00 0.297E+00   -.169E-02 0.947E-03 0.337E-03
   0.589E+01 -.135E+02 0.177E+02   -.589E+01 0.136E+02 -.176E+02   -.204E-03 -.702E-01 -.447E-01   -.147E-02 0.543E-03 0.637E-04
   -.647E+00 -.390E+01 0.138E+02   0.646E+00 0.390E+01 -.138E+02   0.111E-02 0.166E-02 -.453E-02   -.113E-02 0.698E-03 0.130E-03
   -.910E+01 0.525E+01 0.156E+02   0.914E+01 -.528E+01 -.155E+02   -.418E-01 0.242E-01 -.150E-01   -.115E-02 0.672E-03 0.258E-03
   -.266E+02 0.342E+01 0.259E+02   0.269E+02 -.352E+01 -.258E+02   -.265E+00 0.108E+00 -.388E-01   -.413E-03 0.255E-03 0.317E-03
   -.226E+02 -.213E+02 0.403E+02   0.227E+02 0.216E+02 -.402E+02   -.744E-01 -.256E+00 -.733E-01   -.660E-03 0.105E-02 -.399E-03
   -.246E+01 -.188E+02 0.226E+02   0.246E+01 0.189E+02 -.225E+02   0.123E-02 -.981E-01 -.410E-01   -.961E-03 0.108E-02 0.147E-03
   0.201E+01 -.116E+01 0.135E+02   -.202E+01 0.116E+01 -.135E+02   -.293E-05 0.169E-05 -.342E-01   -.787E-03 0.457E-03 -.366E-03
   0.305E+01 0.251E+01 0.138E+02   -.305E+01 -.251E+01 -.138E+02   -.885E-03 -.180E-02 -.453E-02   -.117E-02 0.635E-03 0.134E-03
   -.468E+01 0.873E+00 0.154E+02   0.470E+01 -.881E+00 -.154E+02   -.144E-01 0.642E-02 -.928E-02   -.998E-03 0.610E-03 0.448E-03
   -.112E+02 -.508E+01 0.166E+02   0.112E+02 0.508E+01 -.165E+02   -.179E-01 -.926E-02 -.482E-01   -.801E-03 0.637E-03 0.210E-03
   -.621E+01 -.685E+01 0.164E+02   0.621E+01 0.688E+01 -.164E+02   -.842E-03 -.175E-01 -.374E-01   -.414E-03 0.687E-03 -.195E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.298E-03 0.101E+02   0.276E-12 0.959E-13 -.519E-12   0.200E-15 -.101E-15 -.101E+02   0.182E-07 -.913E-08 -.991E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85281      6.06048     12.33458         0.000000      0.000000     -0.004388
      1.07859      6.50748     13.59629        -0.002399      0.001385     -0.000766
      2.62702      5.61349     13.59629         0.002399     -0.001385     -0.000766
     -0.00003      0.00002      9.97614         0.002115     -0.001221     -0.010304
     -1.23477      2.13747      9.97632         0.000202     -0.004323     -0.005889
     -2.46994      4.27734      9.98183        -0.005116      0.001675      0.004089
     -3.70393      6.41640      9.97901        -0.001465      0.001610      0.007555
     -4.93795      8.55512      9.97685         0.000102     -0.000600      0.002581
      2.46949      0.00025      9.97685         0.000571      0.000211      0.002581
      1.23424      2.13757      9.98025        -0.001838     -0.002418      0.002249
     -0.00218      4.27217      9.99423        -0.007166     -0.000712     -0.008832
     -1.23811      6.41726     10.00569        -0.002777     -0.000066     -0.001850
     -2.46885      8.55559      9.98314        -0.003238      0.001870      0.000906
      4.93869      0.00091      9.97901        -0.002127      0.000464      0.007555
      3.70484      2.13759      9.98787         0.001264     -0.001953     -0.000449
      2.47071      4.26981     10.02707        -0.002714     -0.003261      0.001122
      1.22969      6.42024     10.03652        -0.000713      0.000412      0.011784
     -0.00163      8.55890     10.00569        -0.001331      0.002438     -0.001850
      7.40817      0.00178      9.98183        -0.004009      0.003593      0.004089
      6.17366      2.13965      9.97871         0.001234      0.000342      0.008295
      4.94009      4.27804      9.99782         0.000977     -0.000564     -0.010521
      3.71253      6.42070     10.02707         0.001467      0.003981      0.001122
      2.47404      8.56111      9.99423        -0.002966      0.006562     -0.008832
      9.87893      0.00202      9.97632         0.003845      0.001987     -0.005889
      8.64338      2.13995      9.97616         0.000024     -0.000014     -0.006649
      7.40877      4.27893      9.97871         0.000321     -0.001240      0.008295
      6.17615      6.41802      9.98787         0.002324     -0.000118     -0.000449
      4.94086      8.55764      9.98025         0.001175      0.002801      0.002249
     -0.00083      1.42506      9.97632        -0.003845     -0.001987     -0.005889
     -1.23525      3.56333      9.98025        -0.001175     -0.002801      0.002249
     -2.47054      5.70294      9.98787        -0.002324      0.000118     -0.000449
     -3.70316      7.84203      9.97871        -0.000321      0.001240      0.008295
     -4.93776      9.98102      9.97616        -0.000024      0.000014     -0.006649
      2.46993      1.42531      9.98183         0.004009     -0.003593      0.004089
      1.23157      3.55986      9.99423         0.002966     -0.006562     -0.008832
     -0.00691      5.70027     10.02707        -0.001467     -0.003981      0.001122
     -1.23448      7.84293      9.99782        -0.000977      0.000564     -0.010521
     -2.46805      9.98131      9.97871        -0.001234     -0.000342      0.008295
      4.93941      1.42617      9.97901         0.002127     -0.000464      0.007555
      3.70724      3.56206     10.00569         0.001331     -0.002438     -0.001850
      2.47592      5.70073     10.03652         0.000713     -0.000412      0.011784
      1.23490      7.85116     10.02707         0.002714      0.003261      0.001122
      0.00077      9.98338      9.98787        -0.001264      0.001953     -0.000449
      7.40861      1.42683      9.97685        -0.000571     -0.000211      0.002581
      6.17446      3.56538      9.98314         0.003238     -0.001870      0.000906
      4.94372      5.70371     10.00569         0.002777      0.000066     -0.001850
      3.70779      7.84880      9.99423         0.007166      0.000712     -0.008832
      2.47137      9.98340      9.98025         0.001838      0.002418      0.002249
      9.87813      1.42706      9.97614        -0.002115      0.001221     -0.010304
      8.64357      3.56585      9.97685        -0.000102      0.000600      0.002581
      7.40954      5.70456      9.97901         0.001465     -0.001610      0.007555
      6.17555      7.84363      9.98183         0.005116     -0.001675      0.004089
      4.94038      9.98349      9.97632        -0.000202      0.004323     -0.005889
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000298      0.007014


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




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


    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  153.00: CPU time   76.59
     LOOP+:  VPU time 4385.43: CPU time 2259.12


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


    POTLOK:  VPU time    7.88: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1098.28: CPU time  561.63
 BZINTS: Fermi energy: -3.212298;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   91.70: CPU time   46.24
    MIXING:  VPU time    0.12: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1198.33: CPU time  615.99

 eigenvalue-minimisations  :  3960
 total energy-change (2. order) :-0.4717266E+03  (-0.1068457E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9564901 magnetization   -0.0000021

 Broyden mixing:
  rms(total) = 0.39074E-03    rms(broyden)= 0.39064E-03
  rms(prec ) = 0.42442E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34050.37610285
  -1/2 Hartree   DENC   =    -40940.96768186
  -V(xc)+E(xc)   XCENC  =       726.48878389
  PAW double counting   =      4091.96577190    -4130.28613919
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.74326836
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72657718 eV

  energy without entropy =     -471.72657718  energy(sigma->0) =     -471.72657718


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




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


    POTLOK:  VPU time    7.69: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1201.06: CPU time  614.12
 BZINTS: Fermi energy: -3.211908;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time   -0.01: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1209.10: CPU time  622.13

 eigenvalue-minimisations  :  4528
 total energy-change (2. order) :-0.1917619E-05  (-0.8290091E-06)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9564901 magnetization   -0.0000021

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34050.37610285
  -1/2 Hartree   DENC   =    -40940.99147358
  -V(xc)+E(xc)   XCENC  =       726.48982763
  PAW double counting   =      4092.01883402    -4130.33962354
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.72010008
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72657910 eV

  energy without entropy =     -471.72657910  energy(sigma->0) =     -471.72657910


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2078       2 -39.5433       3 -39.5434       4 -58.3174       5 -58.3210
       6 -58.3237       7 -58.3186       8 -58.3188       9 -58.3188      10 -58.3248
      11 -58.3906      12 -58.3552      13 -58.3268      14 -58.3186      15 -58.3282
      16 -58.5435      17 -58.7298      18 -58.3552      19 -58.3238      20 -58.3238
      21 -58.3616      22 -58.5435      23 -58.3906      24 -58.3210      25 -58.3265
      26 -58.3238      27 -58.3282      28 -58.3248      29 -58.3209      30 -58.3247
      31 -58.3281      32 -58.3237      33 -58.3264      34 -58.3236      35 -58.3905
      36 -58.5434      37 -58.3615      38 -58.3237      39 -58.3185      40 -58.3550
      41 -58.7297      42 -58.5434      43 -58.3281      44 -58.3187      45 -58.3267
      46 -58.3551      47 -58.3905      48 -58.3247      49 -58.3173      50 -58.3187
      51 -58.3185      52 -58.3237      53 -58.3209
 
 
 
 E-fermi :  -3.2119     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     -22.4239      1.00000
      2     -21.5994      1.00000
      3     -21.4800      1.00000
      4     -21.4710      1.00000
      5     -21.4390      1.00000
      6     -21.4385      1.00000
      7     -21.4279      1.00000
      8     -19.7046      1.00000
      9     -19.6507      1.00000
     10     -19.6285      1.00000
     11     -19.6171      1.00000
     12     -19.6124      1.00000
     13     -19.6108      1.00000
     14     -18.7879      1.00000
     15     -18.7526      1.00000
     16     -18.7342      1.00000
     17     -18.7248      1.00000
     18     -18.7170      1.00000
     19     -18.7126      1.00000
     20     -16.6350      1.00000
     21     -16.6082      1.00000
     22     -16.5851      1.00000
     23     -16.5823      1.00000
     24     -16.5536      1.00000
     25     -16.5529      1.00000
     26     -15.6130      1.00000
     27     -15.6005      1.00000
     28     -15.5975      1.00000
     29     -15.5641      1.00000
     30     -15.5626      1.00000
     31     -15.5613      1.00000
     32     -14.2587      1.00000
     33     -14.2501      1.00000
     34     -14.2410      1.00000
     35     -14.2355      1.00000
     36     -14.2221      1.00000
     37     -14.2192      1.00000
     38     -11.9054      1.00000
     39     -11.8795      1.00000
     40     -11.8683      1.00000
     41     -11.8662      1.00000
     42     -11.8464      1.00000
     43     -11.8458      1.00000
     44     -11.7706      1.00000
     45     -11.7692      1.00000
     46     -11.7343      1.00000
     47     -11.7284      1.00000
     48     -11.7258      1.00000
     49     -11.7211      1.00000
     50     -10.6712      1.00000
     51     -10.3875      1.00000
     52     -10.3832      1.00000
     53     -10.3766      1.00000
     54     -10.3683      1.00000
     55     -10.3559      1.00000
     56     -10.3534      1.00000
     57      -9.8996      1.00000
     58      -9.4476      1.00000
     59      -9.4043      1.00000
     60      -9.3613      1.00000
     61      -9.3604      1.00000
     62      -9.3525      1.00000
     63      -9.1416      1.00000
     64      -9.1243      1.00000
     65      -9.1213      1.00000
     66      -9.0861      1.00000
     67      -9.0718      1.00000
     68      -9.0716      1.00000
     69      -9.0701      1.00000
     70      -9.0669      1.00000
     71      -9.0644      1.00000
     72      -9.0405      1.00000
     73      -9.0299      1.00000
     74      -9.0269      1.00000
     75      -8.1372      1.00000
     76      -7.7326      1.00000
     77      -7.4710      1.00000
     78      -7.4667      1.00000
     79      -7.4557      1.00000
     80      -7.4358      1.00000
     81      -7.4248      1.00000
     82      -7.4088      1.00000
     83      -7.3115      1.00000
     84      -7.2694      1.00000
     85      -7.2570      1.00000
     86      -7.2484      1.00000
     87      -7.1570      1.00000
     88      -7.0462      1.00000
     89      -6.4468      1.00000
     90      -6.4151      1.00000
     91      -6.4000      1.00000
     92      -6.3632      1.00000
     93      -6.3533      1.00000
     94      -6.3403      1.00000
     95      -5.9622      1.00000
     96      -5.9588      1.00000
     97      -4.7972      1.00000
     98      -4.5408      1.00000
     99      -4.4814      1.00000
    100      -4.4722      1.00000
    101      -4.3829      1.00000
    102      -4.3828      1.00000
    103      -4.2669      1.00000
    104      -4.1851      1.00000
    105      -3.7351      1.00000
    106      -3.4707      1.00000
    107      -1.8605      0.00000
    108      -1.6750      0.00000
    109      -1.6263      0.00000
    110      -1.5939      0.00000
    111      -1.5791      0.00000
    112      -1.5782      0.00000
    113      -0.4287      0.00000
    114       0.1401      0.00000
    115       0.1892      0.00000
    116       0.2519      0.00000
    117       0.2647      0.00000
    118       0.2677      0.00000
    119       0.4710      0.00000
    120       0.5431      0.00000
    121       1.2389      0.00000
    122       1.2865      0.00000
    123       1.5155      0.00000
    124       1.7681      0.00000
    125       1.7707      0.00000
    126       1.7710      0.00000
    127       1.7962      0.00000
    128       1.8266      0.00000
    129       1.9539      0.00000
    130       1.9635      0.00000
    131       1.9696      0.00000
    132       1.9845      0.00000
    133       1.9916      0.00000
    134       2.0701      0.00000
    135       2.2394      0.00000
    136       2.3350      0.00000
    137       2.5971      0.00000
    138       2.5983      0.00000
    139       2.6236      0.00000
    140       2.6871      0.00000
    141       2.9308      0.00000
    142       3.0390      0.00000
    143       3.0587      0.00000
    144       3.0913      0.00000
    145       3.0914      0.00000
    146       3.0964      0.00000
    147       3.0971      0.00000
    148       3.2578      0.00000
    149       3.4387      0.00000
    150       3.4931      0.00000
    151       3.8093      0.00000
    152       3.9281      0.00000
    153       3.9300      0.00000
    154       3.9322      0.00000
    155       3.9461      0.00000
    156       3.9895      0.00000
    157       4.1823      0.00000
    158       4.2592      0.00000
    159       4.2713      0.00000
    160       4.2810      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3872      1.00000
      2     -21.8281      1.00000
      3     -21.6358      1.00000
      4     -21.6088      1.00000
      5     -21.2724      1.00000
      6     -21.2338      1.00000
      7     -21.0553      1.00000
      8     -20.1657      1.00000
      9     -20.1284      1.00000
     10     -19.6069      1.00000
     11     -19.5960      1.00000
     12     -19.4161      1.00000
     13     -19.0880      1.00000
     14     -19.0584      1.00000
     15     -19.0482      1.00000
     16     -19.0406      1.00000
     17     -18.3597      1.00000
     18     -18.3511      1.00000
     19     -18.0188      1.00000
     20     -17.0688      1.00000
     21     -17.0307      1.00000
     22     -16.9446      1.00000
     23     -16.9389      1.00000
     24     -16.4679      1.00000
     25     -16.4623      1.00000
     26     -15.6127      1.00000
     27     -15.6062      1.00000
     28     -15.2523      1.00000
     29     -15.2436      1.00000
     30     -15.1844      1.00000
     31     -15.0975      1.00000
     32     -15.0712      1.00000
     33     -14.6979      1.00000
     34     -14.6958      1.00000
     35     -13.7265      1.00000
     36     -13.7233      1.00000
     37     -13.2364      1.00000
     38     -12.6148      1.00000
     39     -12.5851      1.00000
     40     -12.4541      1.00000
     41     -12.4498      1.00000
     42     -12.1103      1.00000
     43     -12.1050      1.00000
     44     -11.7160      1.00000
     45     -11.6854      1.00000
     46     -11.2354      1.00000
     47     -11.2269      1.00000
     48     -11.0181      1.00000
     49     -11.0100      1.00000
     50     -10.9259      1.00000
     51     -10.9045      1.00000
     52     -10.6257      1.00000
     53     -10.1560      1.00000
     54     -10.1503      1.00000
     55     -10.0931      1.00000
     56      -9.9955      1.00000
     57      -9.7022      1.00000
     58      -9.6957      1.00000
     59      -9.6549      1.00000
     60      -9.5913      1.00000
     61      -9.5767      1.00000
     62      -9.5587      1.00000
     63      -9.3090      1.00000
     64      -9.3037      1.00000
     65      -9.2728      1.00000
     66      -9.2356      1.00000
     67      -9.1350      1.00000
     68      -9.1178      1.00000
     69      -9.1106      1.00000
     70      -8.9386      1.00000
     71      -8.8716      1.00000
     72      -8.6056      1.00000
     73      -8.5919      1.00000
     74      -8.2391      1.00000
     75      -8.1029      1.00000
     76      -7.9087      1.00000
     77      -7.8640      1.00000
     78      -7.7736      1.00000
     79      -7.7586      1.00000
     80      -7.6960      1.00000
     81      -7.5536      1.00000
     82      -7.3409      1.00000
     83      -7.3244      1.00000
     84      -7.2049      1.00000
     85      -7.1216      1.00000
     86      -7.0327      1.00000
     87      -7.0131      1.00000
     88      -6.7042      1.00000
     89      -6.6784      1.00000
     90      -6.6414      1.00000
     91      -6.5973      1.00000
     92      -6.1189      1.00000
     93      -6.0623      1.00000
     94      -6.0321      1.00000
     95      -6.0110      1.00000
     96      -5.7833      1.00000
     97      -4.9692      1.00000
     98      -4.8310      1.00000
     99      -4.7469      1.00000
    100      -4.6799      1.00000
    101      -4.4631      1.00000
    102      -4.2001      1.00000
    103      -4.1706      1.00000
    104      -4.1282      1.00000
    105      -3.7257      1.00000
    106      -3.4806      1.00000
    107      -1.8711      0.00000
    108      -1.8127      0.00000
    109      -1.5249      0.00000
    110      -1.3805      0.00000
    111      -1.3246      0.00000
    112      -1.2911      0.00000
    113      -0.7217      0.00000
    114      -0.3783      0.00000
    115      -0.2534      0.00000
    116       0.0326      0.00000
    117       0.5501      0.00000
    118       0.6945      0.00000
    119       0.7420      0.00000
    120       1.0431      0.00000
    121       1.0954      0.00000
    122       1.1444      0.00000
    123       1.2221      0.00000
    124       1.3727      0.00000
    125       1.5132      0.00000
    126       1.5703      0.00000
    127       1.7108      0.00000
    128       1.8089      0.00000
    129       1.8527      0.00000
    130       1.8768      0.00000
    131       2.0888      0.00000
    132       2.1783      0.00000
    133       2.2345      0.00000
    134       2.2953      0.00000
    135       2.5025      0.00000
    136       2.5767      0.00000
    137       2.6312      0.00000
    138       2.7668      0.00000
    139       2.7849      0.00000
    140       2.8196      0.00000
    141       2.8546      0.00000
    142       2.8872      0.00000
    143       2.9384      0.00000
    144       3.0668      0.00000
    145       3.1434      0.00000
    146       3.3029      0.00000
    147       3.3764      0.00000
    148       3.4234      0.00000
    149       3.4522      0.00000
    150       3.5985      0.00000
    151       3.6380      0.00000
    152       3.6513      0.00000
    153       3.6980      0.00000
    154       3.8932      0.00000
    155       3.9510      0.00000
    156       4.0064      0.00000
    157       4.0613      0.00000
    158       4.2156      0.00000
    159       4.2365      0.00000
    160       4.2678      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2811      1.00000
      2     -22.0759      1.00000
      3     -21.7142      1.00000
      4     -21.6832      1.00000
      5     -20.9772      1.00000
      6     -20.9375      1.00000
      7     -20.6097      1.00000
      8     -20.5738      1.00000
      9     -20.5678      1.00000
     10     -20.0314      1.00000
     11     -19.5017      1.00000
     12     -19.4901      1.00000
     13     -19.3054      1.00000
     14     -19.3002      1.00000
     15     -18.4465      1.00000
     16     -18.4106      1.00000
     17     -17.9217      1.00000
     18     -17.9118      1.00000
     19     -17.7609      1.00000
     20     -17.7258      1.00000
     21     -17.4358      1.00000
     22     -17.4275      1.00000
     23     -17.3413      1.00000
     24     -16.4623      1.00000
     25     -16.4609      1.00000
     26     -15.9660      1.00000
     27     -15.4129      1.00000
     28     -15.4080      1.00000
     29     -15.0953      1.00000
     30     -15.0926      1.00000
     31     -14.8557      1.00000
     32     -14.8481      1.00000
     33     -14.2903      1.00000
     34     -14.2581      1.00000
     35     -13.4370      1.00000
     36     -13.4051      1.00000
     37     -13.1778      1.00000
     38     -13.1737      1.00000
     39     -12.9806      1.00000
     40     -12.9757      1.00000
     41     -12.6140      1.00000
     42     -12.6095      1.00000
     43     -12.1987      1.00000
     44     -11.5753      1.00000
     45     -11.5419      1.00000
     46     -11.3095      1.00000
     47     -11.2869      1.00000
     48     -11.1433      1.00000
     49     -10.6751      1.00000
     50     -10.6614      1.00000
     51     -10.5483      1.00000
     52     -10.3249      1.00000
     53     -10.3174      1.00000
     54     -10.1689      1.00000
     55     -10.1162      1.00000
     56     -10.1121      1.00000
     57      -9.7960      1.00000
     58      -9.7664      1.00000
     59      -9.7510      1.00000
     60      -9.7005      1.00000
     61      -9.6988      1.00000
     62      -9.6601      1.00000
     63      -9.3568      1.00000
     64      -9.3507      1.00000
     65      -9.3150      1.00000
     66      -9.0390      1.00000
     67      -8.9641      1.00000
     68      -8.9498      1.00000
     69      -8.7976      1.00000
     70      -8.5936      1.00000
     71      -8.5578      1.00000
     72      -8.3964      1.00000
     73      -8.3641      1.00000
     74      -8.3255      1.00000
     75      -8.3079      1.00000
     76      -8.2608      1.00000
     77      -8.2581      1.00000
     78      -8.2366      1.00000
     79      -7.9084      1.00000
     80      -7.6521      1.00000
     81      -7.5431      1.00000
     82      -7.3878      1.00000
     83      -7.3511      1.00000
     84      -7.2336      1.00000
     85      -7.0981      1.00000
     86      -7.0375      1.00000
     87      -6.9346      1.00000
     88      -6.8467      1.00000
     89      -6.6135      1.00000
     90      -6.5618      1.00000
     91      -6.2709      1.00000
     92      -6.0427      1.00000
     93      -5.9516      1.00000
     94      -5.6626      1.00000
     95      -5.6221      1.00000
     96      -5.4611      1.00000
     97      -5.3198      1.00000
     98      -5.2791      1.00000
     99      -5.2147      1.00000
    100      -5.1938      1.00000
    101      -4.5003      1.00000
    102      -4.2035      1.00000
    103      -4.0559      1.00000
    104      -3.9895      1.00000
    105      -3.6915      1.00000
    106      -3.4908      1.00000
    107      -1.9479      0.00000
    108      -1.9003      0.00000
    109      -1.3377      0.00000
    110      -1.0877      0.00000
    111      -1.0614      0.00000
    112      -0.8029      0.00000
    113      -0.6808      0.00000
    114      -0.6498      0.00000
    115      -0.6106      0.00000
    116      -0.1116      0.00000
    117       0.2115      0.00000
    118       0.3243      0.00000
    119       0.6897      0.00000
    120       0.8807      0.00000
    121       1.1209      0.00000
    122       1.1946      0.00000
    123       1.3213      0.00000
    124       1.4132      0.00000
    125       1.5494      0.00000
    126       1.5713      0.00000
    127       1.6714      0.00000
    128       1.8019      0.00000
    129       1.8664      0.00000
    130       2.0450      0.00000
    131       2.1168      0.00000
    132       2.3226      0.00000
    133       2.3531      0.00000
    134       2.3887      0.00000
    135       2.5311      0.00000
    136       2.6239      0.00000
    137       2.7212      0.00000
    138       2.7521      0.00000
    139       2.8166      0.00000
    140       2.8697      0.00000
    141       3.0309      0.00000
    142       3.0481      0.00000
    143       3.1516      0.00000
    144       3.2545      0.00000
    145       3.3516      0.00000
    146       3.4063      0.00000
    147       3.4222      0.00000
    148       3.5519      0.00000
    149       3.5677      0.00000
    150       3.5843      0.00000
    151       3.6506      0.00000
    152       3.6656      0.00000
    153       3.7716      0.00000
    154       3.7888      0.00000
    155       3.7991      0.00000
    156       3.8849      0.00000
    157       3.9120      0.00000
    158       3.9882      0.00000
    159       4.2020      0.00000
    160       4.2170      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3151      1.00000
      2     -21.9604      1.00000
      3     -21.8920      1.00000
      4     -21.3786      1.00000
      5     -21.3500      1.00000
      6     -20.8379      1.00000
      7     -20.7732      1.00000
      8     -20.6228      1.00000
      9     -20.0757      1.00000
     10     -20.0703      1.00000
     11     -19.7153      1.00000
     12     -19.6914      1.00000
     13     -18.9950      1.00000
     14     -18.9895      1.00000
     15     -18.6388      1.00000
     16     -18.6233      1.00000
     17     -18.4619      1.00000
     18     -17.6748      1.00000
     19     -17.6253      1.00000
     20     -17.6223      1.00000
     21     -17.5806      1.00000
     22     -17.1257      1.00000
     23     -17.1046      1.00000
     24     -16.9608      1.00000
     25     -16.0009      1.00000
     26     -15.9279      1.00000
     27     -15.5850      1.00000
     28     -15.5849      1.00000
     29     -15.2873      1.00000
     30     -14.8633      1.00000
     31     -14.8365      1.00000
     32     -14.5798      1.00000
     33     -14.5382      1.00000
     34     -14.1677      1.00000
     35     -14.1539      1.00000
     36     -13.1483      1.00000
     37     -13.1000      1.00000
     38     -13.0305      1.00000
     39     -13.0212      1.00000
     40     -12.7099      1.00000
     41     -12.7061      1.00000
     42     -12.3402      1.00000
     43     -12.3088      1.00000
     44     -11.6351      1.00000
     45     -11.6222      1.00000
     46     -11.5714      1.00000
     47     -10.9487      1.00000
     48     -10.9158      1.00000
     49     -10.6304      1.00000
     50     -10.6258      1.00000
     51     -10.5458      1.00000
     52     -10.4988      1.00000
     53     -10.4980      1.00000
     54     -10.4410      1.00000
     55     -10.3623      1.00000
     56     -10.0967      1.00000
     57      -9.9019      1.00000
     58      -9.6106      1.00000
     59      -9.5586      1.00000
     60      -9.4518      1.00000
     61      -9.4119      1.00000
     62      -9.4043      1.00000
     63      -9.3791      1.00000
     64      -9.3785      1.00000
     65      -9.2852      1.00000
     66      -9.1683      1.00000
     67      -9.1435      1.00000
     68      -9.1150      1.00000
     69      -8.8637      1.00000
     70      -8.8569      1.00000
     71      -8.8146      1.00000
     72      -8.5959      1.00000
     73      -8.4793      1.00000
     74      -8.1992      1.00000
     75      -8.1636      1.00000
     76      -8.0128      1.00000
     77      -7.9570      1.00000
     78      -7.8528      1.00000
     79      -7.8428      1.00000
     80      -7.7077      1.00000
     81      -7.6985      1.00000
     82      -7.6246      1.00000
     83      -7.4452      1.00000
     84      -7.3056      1.00000
     85      -7.2480      1.00000
     86      -6.9073      1.00000
     87      -6.8938      1.00000
     88      -6.5889      1.00000
     89      -6.5505      1.00000
     90      -6.4100      1.00000
     91      -6.2531      1.00000
     92      -6.2322      1.00000
     93      -6.2057      1.00000
     94      -6.0230      1.00000
     95      -5.5493      1.00000
     96      -5.4887      1.00000
     97      -5.3492      1.00000
     98      -5.2206      1.00000
     99      -4.9792      1.00000
    100      -4.7290      1.00000
    101      -4.6770      1.00000
    102      -4.3841      1.00000
    103      -4.1989      1.00000
    104      -3.8649      1.00000
    105      -3.5465      1.00000
    106      -3.5020      1.00000
    107      -2.2599      0.00000
    108      -1.4550      0.00000
    109      -1.3748      0.00000
    110      -1.2450      0.00000
    111      -1.0995      0.00000
    112      -0.9479      0.00000
    113      -0.8667      0.00000
    114      -0.8067      0.00000
    115      -0.1427      0.00000
    116       0.1061      0.00000
    117       0.2379      0.00000
    118       0.3732      0.00000
    119       0.6475      0.00000
    120       0.8311      0.00000
    121       0.9321      0.00000
    122       1.0569      0.00000
    123       1.2293      0.00000
    124       1.4375      0.00000
    125       1.5422      0.00000
    126       1.7615      0.00000
    127       1.7854      0.00000
    128       1.8630      0.00000
    129       1.9601      0.00000
    130       2.0357      0.00000
    131       2.1670      0.00000
    132       2.1855      0.00000
    133       2.4012      0.00000
    134       2.4539      0.00000
    135       2.5252      0.00000
    136       2.5995      0.00000
    137       2.6336      0.00000
    138       2.6909      0.00000
    139       2.7591      0.00000
    140       2.8231      0.00000
    141       2.9404      0.00000
    142       3.0669      0.00000
    143       3.1895      0.00000
    144       3.2024      0.00000
    145       3.2493      0.00000
    146       3.3015      0.00000
    147       3.3145      0.00000
    148       3.4568      0.00000
    149       3.4895      0.00000
    150       3.6919      0.00000
    151       3.7039      0.00000
    152       3.7203      0.00000
    153       3.8519      0.00000
    154       3.9030      0.00000
    155       3.9261      0.00000
    156       3.9714      0.00000
    157       4.0027      0.00000
    158       4.0266      0.00000
    159       4.0371      0.00000
    160       4.0486      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2078      1.00000
      2     -22.1157      1.00000
      3     -21.9549      1.00000
      4     -21.4024      1.00000
      5     -21.0477      1.00000
      6     -21.0126      1.00000
      7     -20.4986      1.00000
      8     -20.4601      1.00000
      9     -20.2935      1.00000
     10     -20.2745      1.00000
     11     -19.9560      1.00000
     12     -19.8904      1.00000
     13     -18.8811      1.00000
     14     -18.8126      1.00000
     15     -18.3517      1.00000
     16     -18.3065      1.00000
     17     -18.1523      1.00000
     18     -18.1352      1.00000
     19     -17.8260      1.00000
     20     -17.7891      1.00000
     21     -17.2520      1.00000
     22     -17.2409      1.00000
     23     -17.1656      1.00000
     24     -17.1322      1.00000
     25     -16.1088      1.00000
     26     -15.8840      1.00000
     27     -15.8692      1.00000
     28     -15.8341      1.00000
     29     -15.2374      1.00000
     30     -14.5542      1.00000
     31     -14.5270      1.00000
     32     -14.2813      1.00000
     33     -13.9647      1.00000
     34     -13.9564      1.00000
     35     -13.8216      1.00000
     36     -13.8048      1.00000
     37     -13.6146      1.00000
     38     -13.5714      1.00000
     39     -13.3684      1.00000
     40     -12.6336      1.00000
     41     -12.1811      1.00000
     42     -12.1337      1.00000
     43     -12.0713      1.00000
     44     -12.0187      1.00000
     45     -11.6708      1.00000
     46     -11.6576      1.00000
     47     -11.1390      1.00000
     48     -11.1191      1.00000
     49     -10.7943      1.00000
     50     -10.7302      1.00000
     51     -10.5226      1.00000
     52     -10.2107      1.00000
     53     -10.2053      1.00000
     54     -10.1630      1.00000
     55     -10.0186      1.00000
     56     -10.0035      1.00000
     57      -9.9901      1.00000
     58      -9.8026      1.00000
     59      -9.7988      1.00000
     60      -9.7637      1.00000
     61      -9.7590      1.00000
     62      -9.4542      1.00000
     63      -9.4149      1.00000
     64      -9.0782      1.00000
     65      -9.0741      1.00000
     66      -9.0420      1.00000
     67      -8.9561      1.00000
     68      -8.8759      1.00000
     69      -8.7135      1.00000
     70      -8.7014      1.00000
     71      -8.5657      1.00000
     72      -8.5434      1.00000
     73      -8.4984      1.00000
     74      -8.4645      1.00000
     75      -8.4545      1.00000
     76      -8.2583      1.00000
     77      -8.1249      1.00000
     78      -8.0419      1.00000
     79      -7.9173      1.00000
     80      -7.8618      1.00000
     81      -7.6164      1.00000
     82      -7.5485      1.00000
     83      -7.4958      1.00000
     84      -7.2623      1.00000
     85      -6.9973      1.00000
     86      -6.9262      1.00000
     87      -6.8848      1.00000
     88      -6.5339      1.00000
     89      -6.4879      1.00000
     90      -6.4614      1.00000
     91      -6.4098      1.00000
     92      -5.9826      1.00000
     93      -5.8972      1.00000
     94      -5.7850      1.00000
     95      -5.7593      1.00000
     96      -5.4302      1.00000
     97      -5.3288      1.00000
     98      -5.2310      1.00000
     99      -5.2182      1.00000
    100      -5.1883      1.00000
    101      -4.6893      1.00000
    102      -4.4167      1.00000
    103      -4.2052      1.00000
    104      -3.8272      1.00000
    105      -3.5212      1.00000
    106      -3.2755      1.00000
    107      -2.5341      0.00000
    108      -1.4566      0.00000
    109      -1.2703      0.00000
    110      -1.2058      0.00000
    111      -1.1753      0.00000
    112      -0.7215      0.00000
    113      -0.5071      0.00000
    114      -0.4153      0.00000
    115      -0.3425      0.00000
    116      -0.1495      0.00000
    117      -0.0066      0.00000
    118       0.1891      0.00000
    119       0.5565      0.00000
    120       0.6083      0.00000
    121       0.7927      0.00000
    122       0.8998      0.00000
    123       1.1267      0.00000
    124       1.4835      0.00000
    125       1.6261      0.00000
    126       1.8370      0.00000
    127       1.9182      0.00000
    128       2.0964      0.00000
    129       2.1070      0.00000
    130       2.1445      0.00000
    131       2.1847      0.00000
    132       2.2749      0.00000
    133       2.3308      0.00000
    134       2.4662      0.00000
    135       2.5750      0.00000
    136       2.6483      0.00000
    137       2.8459      0.00000
    138       2.8649      0.00000
    139       2.8860      0.00000
    140       2.9898      0.00000
    141       3.0076      0.00000
    142       3.1337      0.00000
    143       3.1742      0.00000
    144       3.2171      0.00000
    145       3.2632      0.00000
    146       3.2783      0.00000
    147       3.2956      0.00000
    148       3.3405      0.00000
    149       3.4159      0.00000
    150       3.4375      0.00000
    151       3.5407      0.00000
    152       3.6148      0.00000
    153       3.7007      0.00000
    154       3.7231      0.00000
    155       3.7632      0.00000
    156       3.8905      0.00000
    157       3.9208      0.00000
    158       3.9924      0.00000
    159       4.1179      0.00000
    160       4.2093      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3149      1.00000
      2     -21.9620      1.00000
      3     -21.8904      1.00000
      4     -21.3824      1.00000
      5     -21.3468      1.00000
      6     -20.8376      1.00000
      7     -20.7714      1.00000
      8     -20.6232      1.00000
      9     -20.0879      1.00000
     10     -20.0598      1.00000
     11     -19.7168      1.00000
     12     -19.6886      1.00000
     13     -19.0084      1.00000
     14     -18.9779      1.00000
     15     -18.6488      1.00000
     16     -18.6167      1.00000
     17     -18.4595      1.00000
     18     -17.6597      1.00000
     19     -17.6456      1.00000
     20     -17.6101      1.00000
     21     -17.5771      1.00000
     22     -17.1367      1.00000
     23     -17.0974      1.00000
     24     -16.9665      1.00000
     25     -16.0089      1.00000
     26     -15.9219      1.00000
     27     -15.5977      1.00000
     28     -15.5748      1.00000
     29     -15.2795      1.00000
     30     -14.8760      1.00000
     31     -14.8299      1.00000
     32     -14.5747      1.00000
     33     -14.5365      1.00000
     34     -14.1646      1.00000
     35     -14.1597      1.00000
     36     -13.1625      1.00000
     37     -13.0951      1.00000
     38     -13.0226      1.00000
     39     -13.0187      1.00000
     40     -12.7176      1.00000
     41     -12.6949      1.00000
     42     -12.3404      1.00000
     43     -12.3129      1.00000
     44     -11.6327      1.00000
     45     -11.6234      1.00000
     46     -11.5697      1.00000
     47     -10.9413      1.00000
     48     -10.9229      1.00000
     49     -10.6652      1.00000
     50     -10.5907      1.00000
     51     -10.5722      1.00000
     52     -10.5020      1.00000
     53     -10.4881      1.00000
     54     -10.4403      1.00000
     55     -10.3556      1.00000
     56     -10.1009      1.00000
     57      -9.8962      1.00000
     58      -9.6083      1.00000
     59      -9.5506      1.00000
     60      -9.4519      1.00000
     61      -9.4203      1.00000
     62      -9.4087      1.00000
     63      -9.3800      1.00000
     64      -9.3721      1.00000
     65      -9.2660      1.00000
     66      -9.1667      1.00000
     67      -9.1431      1.00000
     68      -9.1166      1.00000
     69      -8.8672      1.00000
     70      -8.8612      1.00000
     71      -8.8013      1.00000
     72      -8.5947      1.00000
     73      -8.5243      1.00000
     74      -8.1947      1.00000
     75      -8.1717      1.00000
     76      -8.0783      1.00000
     77      -7.8589      1.00000
     78      -7.8374      1.00000
     79      -7.8206      1.00000
     80      -7.7119      1.00000
     81      -7.6976      1.00000
     82      -7.6012      1.00000
     83      -7.5243      1.00000
     84      -7.3516      1.00000
     85      -7.1657      1.00000
     86      -6.9072      1.00000
     87      -6.8975      1.00000
     88      -6.5934      1.00000
     89      -6.5507      1.00000
     90      -6.4073      1.00000
     91      -6.3021      1.00000
     92      -6.2478      1.00000
     93      -6.2038      1.00000
     94      -6.0031      1.00000
     95      -5.5306      1.00000
     96      -5.4652      1.00000
     97      -5.3132      1.00000
     98      -5.2097      1.00000
     99      -5.0450      1.00000
    100      -4.7221      1.00000
    101      -4.6705      1.00000
    102      -4.4187      1.00000
    103      -4.1914      1.00000
    104      -3.8365      1.00000
    105      -3.6315      1.00000
    106      -3.4138      1.00000
    107      -2.2940      0.00000
    108      -1.5087      0.00000
    109      -1.2728      0.00000
    110      -1.2662      0.00000
    111      -1.0364      0.00000
    112      -0.9812      0.00000
    113      -0.8711      0.00000
    114      -0.8031      0.00000
    115      -0.2636      0.00000
    116       0.2004      0.00000
    117       0.2355      0.00000
    118       0.3552      0.00000
    119       0.6851      0.00000
    120       0.8894      0.00000
    121       0.9193      0.00000
    122       1.0360      0.00000
    123       1.1600      0.00000
    124       1.5022      0.00000
    125       1.5509      0.00000
    126       1.6987      0.00000
    127       1.7744      0.00000
    128       1.8261      0.00000
    129       1.9584      0.00000
    130       1.9756      0.00000
    131       2.1758      0.00000
    132       2.2500      0.00000
    133       2.4049      0.00000
    134       2.4589      0.00000
    135       2.5257      0.00000
    136       2.5946      0.00000
    137       2.6135      0.00000
    138       2.6940      0.00000
    139       2.7400      0.00000
    140       2.8488      0.00000
    141       3.0282      0.00000
    142       3.0661      0.00000
    143       3.1806      0.00000
    144       3.2339      0.00000
    145       3.2515      0.00000
    146       3.2834      0.00000
    147       3.3319      0.00000
    148       3.4413      0.00000
    149       3.5117      0.00000
    150       3.6871      0.00000
    151       3.7110      0.00000
    152       3.7406      0.00000
    153       3.8222      0.00000
    154       3.8799      0.00000
    155       3.9163      0.00000
    156       3.9675      0.00000
    157       3.9991      0.00000
    158       4.0318      0.00000
    159       4.0336      0.00000
    160       4.0819      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3871      1.00000
      2     -21.8283      1.00000
      3     -21.6391      1.00000
      4     -21.6050      1.00000
      5     -21.2767      1.00000
      6     -21.2304      1.00000
      7     -21.0545      1.00000
      8     -20.1693      1.00000
      9     -20.1241      1.00000
     10     -19.6156      1.00000
     11     -19.5901      1.00000
     12     -19.4139      1.00000
     13     -19.0928      1.00000
     14     -19.0550      1.00000
     15     -19.0507      1.00000
     16     -19.0379      1.00000
     17     -18.3660      1.00000
     18     -18.3466      1.00000
     19     -18.0152      1.00000
     20     -17.0708      1.00000
     21     -17.0229      1.00000
     22     -16.9495      1.00000
     23     -16.9360      1.00000
     24     -16.4757      1.00000
     25     -16.4637      1.00000
     26     -15.6089      1.00000
     27     -15.6084      1.00000
     28     -15.2489      1.00000
     29     -15.2371      1.00000
     30     -15.1900      1.00000
     31     -15.1003      1.00000
     32     -15.0680      1.00000
     33     -14.6984      1.00000
     34     -14.6975      1.00000
     35     -13.7252      1.00000
     36     -13.7251      1.00000
     37     -13.2343      1.00000
     38     -12.6240      1.00000
     39     -12.5809      1.00000
     40     -12.4534      1.00000
     41     -12.4481      1.00000
     42     -12.1055      1.00000
     43     -12.1008      1.00000
     44     -11.7221      1.00000
     45     -11.6841      1.00000
     46     -11.2462      1.00000
     47     -11.2263      1.00000
     48     -11.0167      1.00000
     49     -11.0051      1.00000
     50     -10.9278      1.00000
     51     -10.8996      1.00000
     52     -10.6318      1.00000
     53     -10.1716      1.00000
     54     -10.1491      1.00000
     55     -10.0854      1.00000
     56      -9.9877      1.00000
     57      -9.6958      1.00000
     58      -9.6886      1.00000
     59      -9.6693      1.00000
     60      -9.5937      1.00000
     61      -9.5698      1.00000
     62      -9.5520      1.00000
     63      -9.3119      1.00000
     64      -9.2997      1.00000
     65      -9.2810      1.00000
     66      -9.2457      1.00000
     67      -9.1210      1.00000
     68      -9.1121      1.00000
     69      -9.1105      1.00000
     70      -8.9379      1.00000
     71      -8.8779      1.00000
     72      -8.6069      1.00000
     73      -8.5885      1.00000
     74      -8.2719      1.00000
     75      -8.1013      1.00000
     76      -7.8705      1.00000
     77      -7.8427      1.00000
     78      -7.7904      1.00000
     79      -7.7656      1.00000
     80      -7.7563      1.00000
     81      -7.4392      1.00000
     82      -7.3350      1.00000
     83      -7.3237      1.00000
     84      -7.2653      1.00000
     85      -7.1666      1.00000
     86      -7.0183      1.00000
     87      -6.9856      1.00000
     88      -6.7170      1.00000
     89      -6.6924      1.00000
     90      -6.6310      1.00000
     91      -6.5899      1.00000
     92      -6.1180      1.00000
     93      -6.0599      1.00000
     94      -6.0450      1.00000
     95      -6.0308      1.00000
     96      -5.7475      1.00000
     97      -4.9695      1.00000
     98      -4.8383      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4792      1.00000
    102      -4.3465      1.00000
    103      -4.1125      1.00000
    104      -4.0552      1.00000
    105      -3.7507      1.00000
    106      -3.4592      1.00000
    107      -1.9499      0.00000
    108      -1.7739      0.00000
    109      -1.4825      0.00000
    110      -1.3581      0.00000
    111      -1.3397      0.00000
    112      -1.2955      0.00000
    113      -0.6811      0.00000
    114      -0.4730      0.00000
    115      -0.2386      0.00000
    116       0.0471      0.00000
    117       0.5817      0.00000
    118       0.6891      0.00000
    119       0.7646      0.00000
    120       1.0150      0.00000
    121       1.0934      0.00000
    122       1.1706      0.00000
    123       1.2458      0.00000
    124       1.3315      0.00000
    125       1.4279      0.00000
    126       1.5829      0.00000
    127       1.7572      0.00000
    128       1.8380      0.00000
    129       1.8551      0.00000
    130       1.8824      0.00000
    131       2.0382      0.00000
    132       2.2106      0.00000
    133       2.2234      0.00000
    134       2.2746      0.00000
    135       2.4718      0.00000
    136       2.6018      0.00000
    137       2.6350      0.00000
    138       2.7400      0.00000
    139       2.7770      0.00000
    140       2.8304      0.00000
    141       2.8390      0.00000
    142       2.8663      0.00000
    143       2.9429      0.00000
    144       3.0706      0.00000
    145       3.3000      0.00000
    146       3.3504      0.00000
    147       3.3940      0.00000
    148       3.4101      0.00000
    149       3.4115      0.00000
    150       3.5779      0.00000
    151       3.6389      0.00000
    152       3.6572      0.00000
    153       3.7185      0.00000
    154       3.8840      0.00000
    155       3.9140      0.00000
    156       3.9463      0.00000
    157       4.1031      0.00000
    158       4.1917      0.00000
    159       4.2309      0.00000
    160       4.2736      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2068      1.00000
      2     -22.1171      1.00000
      3     -21.9546      1.00000
      4     -21.4027      1.00000
      5     -21.0438      1.00000
      6     -21.0162      1.00000
      7     -20.4940      1.00000
      8     -20.4647      1.00000
      9     -20.2842      1.00000
     10     -20.2824      1.00000
     11     -19.9553      1.00000
     12     -19.8927      1.00000
     13     -18.8823      1.00000
     14     -18.8154      1.00000
     15     -18.3360      1.00000
     16     -18.3173      1.00000
     17     -18.1481      1.00000
     18     -18.1408      1.00000
     19     -17.8143      1.00000
     20     -17.7967      1.00000
     21     -17.2580      1.00000
     22     -17.2389      1.00000
     23     -17.1590      1.00000
     24     -17.1359      1.00000
     25     -16.1147      1.00000
     26     -15.8795      1.00000
     27     -15.8688      1.00000
     28     -15.8417      1.00000
     29     -15.2304      1.00000
     30     -14.5510      1.00000
     31     -14.5331      1.00000
     32     -14.2755      1.00000
     33     -13.9740      1.00000
     34     -13.9504      1.00000
     35     -13.8253      1.00000
     36     -13.8027      1.00000
     37     -13.6039      1.00000
     38     -13.5791      1.00000
     39     -13.3683      1.00000
     40     -12.6373      1.00000
     41     -12.1693      1.00000
     42     -12.1433      1.00000
     43     -12.0677      1.00000
     44     -12.0211      1.00000
     45     -11.6640      1.00000
     46     -11.6597      1.00000
     47     -11.1378      1.00000
     48     -11.1274      1.00000
     49     -10.7914      1.00000
     50     -10.7357      1.00000
     51     -10.5296      1.00000
     52     -10.2074      1.00000
     53     -10.2016      1.00000
     54     -10.1687      1.00000
     55     -10.0213      1.00000
     56      -9.9928      1.00000
     57      -9.9896      1.00000
     58      -9.8049      1.00000
     59      -9.7955      1.00000
     60      -9.7663      1.00000
     61      -9.7585      1.00000
     62      -9.4566      1.00000
     63      -9.4152      1.00000
     64      -9.0842      1.00000
     65      -9.0458      1.00000
     66      -9.0247      1.00000
     67      -8.9708      1.00000
     68      -8.8960      1.00000
     69      -8.7078      1.00000
     70      -8.6989      1.00000
     71      -8.5622      1.00000
     72      -8.5517      1.00000
     73      -8.4786      1.00000
     74      -8.4606      1.00000
     75      -8.4567      1.00000
     76      -8.3043      1.00000
     77      -8.0927      1.00000
     78      -8.0895      1.00000
     79      -7.9275      1.00000
     80      -7.8333      1.00000
     81      -7.6000      1.00000
     82      -7.5395      1.00000
     83      -7.4529      1.00000
     84      -7.3040      1.00000
     85      -6.9942      1.00000
     86      -6.9209      1.00000
     87      -6.8826      1.00000
     88      -6.5306      1.00000
     89      -6.5160      1.00000
     90      -6.4834      1.00000
     91      -6.4210      1.00000
     92      -5.9255      1.00000
     93      -5.9043      1.00000
     94      -5.7889      1.00000
     95      -5.7745      1.00000
     96      -5.3681      1.00000
     97      -5.3615      1.00000
     98      -5.2202      1.00000
     99      -5.2160      1.00000
    100      -5.1991      1.00000
    101      -4.7184      1.00000
    102      -4.4360      1.00000
    103      -4.1877      1.00000
    104      -3.8133      1.00000
    105      -3.5585      1.00000
    106      -3.2240      1.00000
    107      -2.5636      0.00000
    108      -1.4617      0.00000
    109      -1.2705      0.00000
    110      -1.1884      0.00000
    111      -1.1865      0.00000
    112      -0.6471      0.00000
    113      -0.5558      0.00000
    114      -0.4177      0.00000
    115      -0.3509      0.00000
    116      -0.0814      0.00000
    117      -0.0676      0.00000
    118       0.1229      0.00000
    119       0.5890      0.00000
    120       0.6224      0.00000
    121       0.8490      0.00000
    122       0.9805      0.00000
    123       0.9976      0.00000
    124       1.4861      0.00000
    125       1.6741      0.00000
    126       1.7529      0.00000
    127       1.8465      0.00000
    128       2.0999      0.00000
    129       2.1401      0.00000
    130       2.1854      0.00000
    131       2.2058      0.00000
    132       2.2505      0.00000
    133       2.3451      0.00000
    134       2.4893      0.00000
    135       2.5077      0.00000
    136       2.6536      0.00000
    137       2.8486      0.00000
    138       2.8556      0.00000
    139       2.9449      0.00000
    140       2.9775      0.00000
    141       3.0193      0.00000
    142       3.1301      0.00000
    143       3.1878      0.00000
    144       3.2293      0.00000
    145       3.2375      0.00000
    146       3.2729      0.00000
    147       3.2994      0.00000
    148       3.3490      0.00000
    149       3.4120      0.00000
    150       3.5410      0.00000
    151       3.5568      0.00000
    152       3.6374      0.00000
    153       3.6533      0.00000
    154       3.6968      0.00000
    155       3.7203      0.00000
    156       3.8920      0.00000
    157       3.9407      0.00000
    158       4.0221      0.00000
    159       4.0637      0.00000
    160       4.1706      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2806      1.00000
      2     -22.0764      1.00000
      3     -21.7178      1.00000
      4     -21.6796      1.00000
      5     -20.9805      1.00000
      6     -20.9337      1.00000
      7     -20.6092      1.00000
      8     -20.5772      1.00000
      9     -20.5643      1.00000
     10     -20.0303      1.00000
     11     -19.5120      1.00000
     12     -19.4826      1.00000
     13     -19.3105      1.00000
     14     -19.2977      1.00000
     15     -18.4478      1.00000
     16     -18.4055      1.00000
     17     -17.9268      1.00000
     18     -17.9068      1.00000
     19     -17.7642      1.00000
     20     -17.7201      1.00000
     21     -17.4412      1.00000
     22     -17.4230      1.00000
     23     -17.3368      1.00000
     24     -16.4717      1.00000
     25     -16.4614      1.00000
     26     -15.9688      1.00000
     27     -15.4107      1.00000
     28     -15.4098      1.00000
     29     -15.0958      1.00000
     30     -15.0928      1.00000
     31     -14.8525      1.00000
     32     -14.8405      1.00000
     33     -14.2969      1.00000
     34     -14.2539      1.00000
     35     -13.4437      1.00000
     36     -13.4006      1.00000
     37     -13.1753      1.00000
     38     -13.1741      1.00000
     39     -12.9838      1.00000
     40     -12.9750      1.00000
     41     -12.6111      1.00000
     42     -12.6091      1.00000
     43     -12.1960      1.00000
     44     -11.5799      1.00000
     45     -11.5395      1.00000
     46     -11.3139      1.00000
     47     -11.2840      1.00000
     48     -11.1412      1.00000
     49     -10.6914      1.00000
     50     -10.6649      1.00000
     51     -10.5436      1.00000
     52     -10.3213      1.00000
     53     -10.3138      1.00000
     54     -10.1734      1.00000
     55     -10.1232      1.00000
     56     -10.1097      1.00000
     57      -9.8093      1.00000
     58      -9.7513      1.00000
     59      -9.7512      1.00000
     60      -9.7020      1.00000
     61      -9.6984      1.00000
     62      -9.6452      1.00000
     63      -9.3523      1.00000
     64      -9.3508      1.00000
     65      -9.3206      1.00000
     66      -9.0266      1.00000
     67      -8.9614      1.00000
     68      -8.9565      1.00000
     69      -8.7742      1.00000
     70      -8.5944      1.00000
     71      -8.5853      1.00000
     72      -8.4212      1.00000
     73      -8.3487      1.00000
     74      -8.3230      1.00000
     75      -8.3022      1.00000
     76      -8.2676      1.00000
     77      -8.2563      1.00000
     78      -8.2420      1.00000
     79      -7.9248      1.00000
     80      -7.7360      1.00000
     81      -7.3800      1.00000
     82      -7.3506      1.00000
     83      -7.3137      1.00000
     84      -7.2179      1.00000
     85      -7.1593      1.00000
     86      -7.0685      1.00000
     87      -6.9603      1.00000
     88      -6.9077      1.00000
     89      -6.6169      1.00000
     90      -6.5571      1.00000
     91      -6.2747      1.00000
     92      -5.9953      1.00000
     93      -5.9587      1.00000
     94      -5.6747      1.00000
     95      -5.6481      1.00000
     96      -5.3861      1.00000
     97      -5.3143      1.00000
     98      -5.2933      1.00000
     99      -5.2124      1.00000
    100      -5.2006      1.00000
    101      -4.5042      1.00000
    102      -4.3323      1.00000
    103      -3.9965      1.00000
    104      -3.8858      1.00000
    105      -3.7886      1.00000
    106      -3.4382      1.00000
    107      -2.0340      0.00000
    108      -1.8661      0.00000
    109      -1.2184      0.00000
    110      -1.1872      0.00000
    111      -1.0387      0.00000
    112      -0.7750      0.00000
    113      -0.6813      0.00000
    114      -0.6630      0.00000
    115      -0.6127      0.00000
    116      -0.1058      0.00000
    117       0.2191      0.00000
    118       0.2355      0.00000
    119       0.7638      0.00000
    120       0.9785      0.00000
    121       1.0714      0.00000
    122       1.2356      0.00000
    123       1.2468      0.00000
    124       1.3331      0.00000
    125       1.5709      0.00000
    126       1.5806      0.00000
    127       1.6915      0.00000
    128       1.7841      0.00000
    129       1.9364      0.00000
    130       1.9486      0.00000
    131       2.0796      0.00000
    132       2.2897      0.00000
    133       2.3386      0.00000
    134       2.4111      0.00000
    135       2.5260      0.00000
    136       2.6208      0.00000
    137       2.7617      0.00000
    138       2.8190      0.00000
    139       2.8371      0.00000
    140       2.8548      0.00000
    141       3.0278      0.00000
    142       3.0929      0.00000
    143       3.1413      0.00000
    144       3.2082      0.00000
    145       3.3671      0.00000
    146       3.4086      0.00000
    147       3.4891      0.00000
    148       3.5260      0.00000
    149       3.5844      0.00000
    150       3.5961      0.00000
    151       3.6328      0.00000
    152       3.7254      0.00000
    153       3.7355      0.00000
    154       3.7660      0.00000
    155       3.8099      0.00000
    156       3.8696      0.00000
    157       4.0168      0.00000
    158       4.0782      0.00000
    159       4.1582      0.00000
    160       4.1961      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4239      1.00000
      2     -21.5994      1.00000
      3     -21.4800      1.00000
      4     -21.4710      1.00000
      5     -21.4390      1.00000
      6     -21.4385      1.00000
      7     -21.4279      1.00000
      8     -19.7046      1.00000
      9     -19.6507      1.00000
     10     -19.6285      1.00000
     11     -19.6171      1.00000
     12     -19.6124      1.00000
     13     -19.6108      1.00000
     14     -18.7879      1.00000
     15     -18.7526      1.00000
     16     -18.7342      1.00000
     17     -18.7248      1.00000
     18     -18.7170      1.00000
     19     -18.7126      1.00000
     20     -16.6350      1.00000
     21     -16.6082      1.00000
     22     -16.5851      1.00000
     23     -16.5823      1.00000
     24     -16.5536      1.00000
     25     -16.5529      1.00000
     26     -15.6130      1.00000
     27     -15.6005      1.00000
     28     -15.5975      1.00000
     29     -15.5641      1.00000
     30     -15.5626      1.00000
     31     -15.5613      1.00000
     32     -14.2587      1.00000
     33     -14.2501      1.00000
     34     -14.2410      1.00000
     35     -14.2355      1.00000
     36     -14.2221      1.00000
     37     -14.2192      1.00000
     38     -11.9054      1.00000
     39     -11.8795      1.00000
     40     -11.8683      1.00000
     41     -11.8662      1.00000
     42     -11.8464      1.00000
     43     -11.8458      1.00000
     44     -11.7706      1.00000
     45     -11.7692      1.00000
     46     -11.7343      1.00000
     47     -11.7284      1.00000
     48     -11.7258      1.00000
     49     -11.7211      1.00000
     50     -10.6712      1.00000
     51     -10.3875      1.00000
     52     -10.3832      1.00000
     53     -10.3766      1.00000
     54     -10.3683      1.00000
     55     -10.3559      1.00000
     56     -10.3534      1.00000
     57      -9.8996      1.00000
     58      -9.4476      1.00000
     59      -9.4043      1.00000
     60      -9.3613      1.00000
     61      -9.3604      1.00000
     62      -9.3525      1.00000
     63      -9.1416      1.00000
     64      -9.1243      1.00000
     65      -9.1213      1.00000
     66      -9.0861      1.00000
     67      -9.0718      1.00000
     68      -9.0716      1.00000
     69      -9.0701      1.00000
     70      -9.0669      1.00000
     71      -9.0644      1.00000
     72      -9.0405      1.00000
     73      -9.0299      1.00000
     74      -9.0269      1.00000
     75      -8.1372      1.00000
     76      -7.7326      1.00000
     77      -7.4710      1.00000
     78      -7.4667      1.00000
     79      -7.4557      1.00000
     80      -7.4358      1.00000
     81      -7.4248      1.00000
     82      -7.4088      1.00000
     83      -7.3115      1.00000
     84      -7.2694      1.00000
     85      -7.2570      1.00000
     86      -7.2484      1.00000
     87      -7.1570      1.00000
     88      -7.0462      1.00000
     89      -6.4468      1.00000
     90      -6.4151      1.00000
     91      -6.4000      1.00000
     92      -6.3632      1.00000
     93      -6.3533      1.00000
     94      -6.3403      1.00000
     95      -5.9622      1.00000
     96      -5.9588      1.00000
     97      -4.7972      1.00000
     98      -4.5408      1.00000
     99      -4.4814      1.00000
    100      -4.4722      1.00000
    101      -4.3829      1.00000
    102      -4.3828      1.00000
    103      -4.2669      1.00000
    104      -4.1851      1.00000
    105      -3.7350      1.00000
    106      -3.4707      1.00000
    107      -1.8605      0.00000
    108      -1.6750      0.00000
    109      -1.6263      0.00000
    110      -1.5939      0.00000
    111      -1.5791      0.00000
    112      -1.5782      0.00000
    113      -0.4287      0.00000
    114       0.1401      0.00000
    115       0.1892      0.00000
    116       0.2519      0.00000
    117       0.2647      0.00000
    118       0.2677      0.00000
    119       0.4711      0.00000
    120       0.5431      0.00000
    121       1.2389      0.00000
    122       1.2865      0.00000
    123       1.5155      0.00000
    124       1.7681      0.00000
    125       1.7707      0.00000
    126       1.7710      0.00000
    127       1.7962      0.00000
    128       1.8266      0.00000
    129       1.9539      0.00000
    130       1.9635      0.00000
    131       1.9696      0.00000
    132       1.9845      0.00000
    133       1.9916      0.00000
    134       2.0701      0.00000
    135       2.2394      0.00000
    136       2.3350      0.00000
    137       2.5971      0.00000
    138       2.5983      0.00000
    139       2.6236      0.00000
    140       2.6871      0.00000
    141       2.9308      0.00000
    142       3.0390      0.00000
    143       3.0587      0.00000
    144       3.0913      0.00000
    145       3.0914      0.00000
    146       3.0964      0.00000
    147       3.0970      0.00000
    148       3.2578      0.00000
    149       3.4387      0.00000
    150       3.4931      0.00000
    151       3.8093      0.00000
    152       3.9281      0.00000
    153       3.9300      0.00000
    154       3.9322      0.00000
    155       3.9461      0.00000
    156       3.9895      0.00000
    157       4.1824      0.00000
    158       4.2592      0.00000
    159       4.2712      0.00000
    160       4.2810      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3872      1.00000
      2     -21.8281      1.00000
      3     -21.6358      1.00000
      4     -21.6088      1.00000
      5     -21.2724      1.00000
      6     -21.2338      1.00000
      7     -21.0553      1.00000
      8     -20.1657      1.00000
      9     -20.1284      1.00000
     10     -19.6069      1.00000
     11     -19.5960      1.00000
     12     -19.4161      1.00000
     13     -19.0880      1.00000
     14     -19.0584      1.00000
     15     -19.0482      1.00000
     16     -19.0406      1.00000
     17     -18.3597      1.00000
     18     -18.3511      1.00000
     19     -18.0188      1.00000
     20     -17.0688      1.00000
     21     -17.0307      1.00000
     22     -16.9446      1.00000
     23     -16.9389      1.00000
     24     -16.4679      1.00000
     25     -16.4623      1.00000
     26     -15.6127      1.00000
     27     -15.6062      1.00000
     28     -15.2523      1.00000
     29     -15.2436      1.00000
     30     -15.1844      1.00000
     31     -15.0975      1.00000
     32     -15.0712      1.00000
     33     -14.6979      1.00000
     34     -14.6958      1.00000
     35     -13.7265      1.00000
     36     -13.7233      1.00000
     37     -13.2364      1.00000
     38     -12.6148      1.00000
     39     -12.5851      1.00000
     40     -12.4541      1.00000
     41     -12.4498      1.00000
     42     -12.1103      1.00000
     43     -12.1050      1.00000
     44     -11.7160      1.00000
     45     -11.6854      1.00000
     46     -11.2354      1.00000
     47     -11.2269      1.00000
     48     -11.0181      1.00000
     49     -11.0100      1.00000
     50     -10.9259      1.00000
     51     -10.9045      1.00000
     52     -10.6257      1.00000
     53     -10.1560      1.00000
     54     -10.1503      1.00000
     55     -10.0931      1.00000
     56      -9.9955      1.00000
     57      -9.7022      1.00000
     58      -9.6957      1.00000
     59      -9.6549      1.00000
     60      -9.5913      1.00000
     61      -9.5767      1.00000
     62      -9.5587      1.00000
     63      -9.3090      1.00000
     64      -9.3037      1.00000
     65      -9.2728      1.00000
     66      -9.2356      1.00000
     67      -9.1350      1.00000
     68      -9.1178      1.00000
     69      -9.1106      1.00000
     70      -8.9386      1.00000
     71      -8.8716      1.00000
     72      -8.6056      1.00000
     73      -8.5919      1.00000
     74      -8.2391      1.00000
     75      -8.1029      1.00000
     76      -7.9087      1.00000
     77      -7.8640      1.00000
     78      -7.7736      1.00000
     79      -7.7586      1.00000
     80      -7.6960      1.00000
     81      -7.5536      1.00000
     82      -7.3409      1.00000
     83      -7.3244      1.00000
     84      -7.2049      1.00000
     85      -7.1216      1.00000
     86      -7.0327      1.00000
     87      -7.0131      1.00000
     88      -6.7042      1.00000
     89      -6.6784      1.00000
     90      -6.6414      1.00000
     91      -6.5973      1.00000
     92      -6.1189      1.00000
     93      -6.0623      1.00000
     94      -6.0321      1.00000
     95      -6.0110      1.00000
     96      -5.7833      1.00000
     97      -4.9692      1.00000
     98      -4.8310      1.00000
     99      -4.7469      1.00000
    100      -4.6799      1.00000
    101      -4.4631      1.00000
    102      -4.2001      1.00000
    103      -4.1706      1.00000
    104      -4.1282      1.00000
    105      -3.7257      1.00000
    106      -3.4806      1.00000
    107      -1.8711      0.00000
    108      -1.8127      0.00000
    109      -1.5249      0.00000
    110      -1.3805      0.00000
    111      -1.3246      0.00000
    112      -1.2911      0.00000
    113      -0.7217      0.00000
    114      -0.3783      0.00000
    115      -0.2534      0.00000
    116       0.0326      0.00000
    117       0.5501      0.00000
    118       0.6945      0.00000
    119       0.7420      0.00000
    120       1.0431      0.00000
    121       1.0954      0.00000
    122       1.1444      0.00000
    123       1.2221      0.00000
    124       1.3727      0.00000
    125       1.5132      0.00000
    126       1.5703      0.00000
    127       1.7108      0.00000
    128       1.8089      0.00000
    129       1.8527      0.00000
    130       1.8768      0.00000
    131       2.0888      0.00000
    132       2.1784      0.00000
    133       2.2345      0.00000
    134       2.2953      0.00000
    135       2.5025      0.00000
    136       2.5767      0.00000
    137       2.6311      0.00000
    138       2.7668      0.00000
    139       2.7849      0.00000
    140       2.8196      0.00000
    141       2.8546      0.00000
    142       2.8872      0.00000
    143       2.9384      0.00000
    144       3.0668      0.00000
    145       3.1434      0.00000
    146       3.3029      0.00000
    147       3.3764      0.00000
    148       3.4234      0.00000
    149       3.4522      0.00000
    150       3.5985      0.00000
    151       3.6380      0.00000
    152       3.6513      0.00000
    153       3.6980      0.00000
    154       3.8932      0.00000
    155       3.9510      0.00000
    156       4.0064      0.00000
    157       4.0613      0.00000
    158       4.2156      0.00000
    159       4.2365      0.00000
    160       4.2678      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2811      1.00000
      2     -22.0759      1.00000
      3     -21.7142      1.00000
      4     -21.6832      1.00000
      5     -20.9772      1.00000
      6     -20.9375      1.00000
      7     -20.6097      1.00000
      8     -20.5738      1.00000
      9     -20.5678      1.00000
     10     -20.0314      1.00000
     11     -19.5017      1.00000
     12     -19.4901      1.00000
     13     -19.3054      1.00000
     14     -19.3002      1.00000
     15     -18.4465      1.00000
     16     -18.4106      1.00000
     17     -17.9217      1.00000
     18     -17.9118      1.00000
     19     -17.7609      1.00000
     20     -17.7258      1.00000
     21     -17.4358      1.00000
     22     -17.4275      1.00000
     23     -17.3413      1.00000
     24     -16.4623      1.00000
     25     -16.4609      1.00000
     26     -15.9660      1.00000
     27     -15.4129      1.00000
     28     -15.4080      1.00000
     29     -15.0953      1.00000
     30     -15.0926      1.00000
     31     -14.8557      1.00000
     32     -14.8481      1.00000
     33     -14.2903      1.00000
     34     -14.2581      1.00000
     35     -13.4370      1.00000
     36     -13.4051      1.00000
     37     -13.1778      1.00000
     38     -13.1737      1.00000
     39     -12.9806      1.00000
     40     -12.9757      1.00000
     41     -12.6140      1.00000
     42     -12.6095      1.00000
     43     -12.1987      1.00000
     44     -11.5753      1.00000
     45     -11.5419      1.00000
     46     -11.3095      1.00000
     47     -11.2869      1.00000
     48     -11.1433      1.00000
     49     -10.6751      1.00000
     50     -10.6614      1.00000
     51     -10.5483      1.00000
     52     -10.3249      1.00000
     53     -10.3174      1.00000
     54     -10.1689      1.00000
     55     -10.1162      1.00000
     56     -10.1121      1.00000
     57      -9.7960      1.00000
     58      -9.7664      1.00000
     59      -9.7510      1.00000
     60      -9.7005      1.00000
     61      -9.6988      1.00000
     62      -9.6601      1.00000
     63      -9.3568      1.00000
     64      -9.3507      1.00000
     65      -9.3150      1.00000
     66      -9.0390      1.00000
     67      -8.9641      1.00000
     68      -8.9498      1.00000
     69      -8.7976      1.00000
     70      -8.5936      1.00000
     71      -8.5578      1.00000
     72      -8.3964      1.00000
     73      -8.3641      1.00000
     74      -8.3255      1.00000
     75      -8.3079      1.00000
     76      -8.2608      1.00000
     77      -8.2581      1.00000
     78      -8.2366      1.00000
     79      -7.9084      1.00000
     80      -7.6521      1.00000
     81      -7.5431      1.00000
     82      -7.3878      1.00000
     83      -7.3511      1.00000
     84      -7.2336      1.00000
     85      -7.0981      1.00000
     86      -7.0375      1.00000
     87      -6.9346      1.00000
     88      -6.8467      1.00000
     89      -6.6135      1.00000
     90      -6.5618      1.00000
     91      -6.2709      1.00000
     92      -6.0427      1.00000
     93      -5.9516      1.00000
     94      -5.6626      1.00000
     95      -5.6221      1.00000
     96      -5.4611      1.00000
     97      -5.3198      1.00000
     98      -5.2791      1.00000
     99      -5.2147      1.00000
    100      -5.1938      1.00000
    101      -4.5003      1.00000
    102      -4.2035      1.00000
    103      -4.0559      1.00000
    104      -3.9895      1.00000
    105      -3.6915      1.00000
    106      -3.4908      1.00000
    107      -1.9479      0.00000
    108      -1.9003      0.00000
    109      -1.3377      0.00000
    110      -1.0877      0.00000
    111      -1.0614      0.00000
    112      -0.8029      0.00000
    113      -0.6808      0.00000
    114      -0.6498      0.00000
    115      -0.6106      0.00000
    116      -0.1116      0.00000
    117       0.2115      0.00000
    118       0.3243      0.00000
    119       0.6897      0.00000
    120       0.8807      0.00000
    121       1.1209      0.00000
    122       1.1946      0.00000
    123       1.3213      0.00000
    124       1.4132      0.00000
    125       1.5494      0.00000
    126       1.5713      0.00000
    127       1.6714      0.00000
    128       1.8019      0.00000
    129       1.8664      0.00000
    130       2.0450      0.00000
    131       2.1168      0.00000
    132       2.3226      0.00000
    133       2.3531      0.00000
    134       2.3887      0.00000
    135       2.5311      0.00000
    136       2.6239      0.00000
    137       2.7212      0.00000
    138       2.7521      0.00000
    139       2.8166      0.00000
    140       2.8697      0.00000
    141       3.0309      0.00000
    142       3.0481      0.00000
    143       3.1516      0.00000
    144       3.2545      0.00000
    145       3.3516      0.00000
    146       3.4063      0.00000
    147       3.4222      0.00000
    148       3.5519      0.00000
    149       3.5677      0.00000
    150       3.5843      0.00000
    151       3.6506      0.00000
    152       3.6656      0.00000
    153       3.7716      0.00000
    154       3.7887      0.00000
    155       3.7990      0.00000
    156       3.8849      0.00000
    157       3.9120      0.00000
    158       3.9882      0.00000
    159       4.2020      0.00000
    160       4.2169      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3151      1.00000
      2     -21.9604      1.00000
      3     -21.8920      1.00000
      4     -21.3786      1.00000
      5     -21.3500      1.00000
      6     -20.8379      1.00000
      7     -20.7732      1.00000
      8     -20.6228      1.00000
      9     -20.0757      1.00000
     10     -20.0703      1.00000
     11     -19.7153      1.00000
     12     -19.6914      1.00000
     13     -18.9950      1.00000
     14     -18.9895      1.00000
     15     -18.6388      1.00000
     16     -18.6233      1.00000
     17     -18.4619      1.00000
     18     -17.6748      1.00000
     19     -17.6253      1.00000
     20     -17.6223      1.00000
     21     -17.5806      1.00000
     22     -17.1257      1.00000
     23     -17.1046      1.00000
     24     -16.9608      1.00000
     25     -16.0009      1.00000
     26     -15.9279      1.00000
     27     -15.5850      1.00000
     28     -15.5849      1.00000
     29     -15.2873      1.00000
     30     -14.8633      1.00000
     31     -14.8365      1.00000
     32     -14.5798      1.00000
     33     -14.5382      1.00000
     34     -14.1677      1.00000
     35     -14.1539      1.00000
     36     -13.1483      1.00000
     37     -13.1000      1.00000
     38     -13.0305      1.00000
     39     -13.0212      1.00000
     40     -12.7099      1.00000
     41     -12.7061      1.00000
     42     -12.3402      1.00000
     43     -12.3088      1.00000
     44     -11.6351      1.00000
     45     -11.6222      1.00000
     46     -11.5714      1.00000
     47     -10.9487      1.00000
     48     -10.9158      1.00000
     49     -10.6304      1.00000
     50     -10.6258      1.00000
     51     -10.5458      1.00000
     52     -10.4988      1.00000
     53     -10.4980      1.00000
     54     -10.4410      1.00000
     55     -10.3623      1.00000
     56     -10.0967      1.00000
     57      -9.9019      1.00000
     58      -9.6106      1.00000
     59      -9.5586      1.00000
     60      -9.4518      1.00000
     61      -9.4119      1.00000
     62      -9.4043      1.00000
     63      -9.3791      1.00000
     64      -9.3785      1.00000
     65      -9.2852      1.00000
     66      -9.1683      1.00000
     67      -9.1435      1.00000
     68      -9.1150      1.00000
     69      -8.8637      1.00000
     70      -8.8569      1.00000
     71      -8.8146      1.00000
     72      -8.5959      1.00000
     73      -8.4793      1.00000
     74      -8.1992      1.00000
     75      -8.1636      1.00000
     76      -8.0128      1.00000
     77      -7.9570      1.00000
     78      -7.8528      1.00000
     79      -7.8428      1.00000
     80      -7.7077      1.00000
     81      -7.6985      1.00000
     82      -7.6246      1.00000
     83      -7.4452      1.00000
     84      -7.3056      1.00000
     85      -7.2480      1.00000
     86      -6.9073      1.00000
     87      -6.8938      1.00000
     88      -6.5889      1.00000
     89      -6.5505      1.00000
     90      -6.4100      1.00000
     91      -6.2531      1.00000
     92      -6.2322      1.00000
     93      -6.2057      1.00000
     94      -6.0230      1.00000
     95      -5.5493      1.00000
     96      -5.4887      1.00000
     97      -5.3492      1.00000
     98      -5.2206      1.00000
     99      -4.9792      1.00000
    100      -4.7290      1.00000
    101      -4.6770      1.00000
    102      -4.3841      1.00000
    103      -4.1989      1.00000
    104      -3.8649      1.00000
    105      -3.5465      1.00000
    106      -3.5020      1.00000
    107      -2.2599      0.00000
    108      -1.4550      0.00000
    109      -1.3748      0.00000
    110      -1.2450      0.00000
    111      -1.0995      0.00000
    112      -0.9479      0.00000
    113      -0.8667      0.00000
    114      -0.8067      0.00000
    115      -0.1427      0.00000
    116       0.1061      0.00000
    117       0.2379      0.00000
    118       0.3732      0.00000
    119       0.6475      0.00000
    120       0.8311      0.00000
    121       0.9321      0.00000
    122       1.0569      0.00000
    123       1.2293      0.00000
    124       1.4375      0.00000
    125       1.5422      0.00000
    126       1.7615      0.00000
    127       1.7854      0.00000
    128       1.8630      0.00000
    129       1.9601      0.00000
    130       2.0357      0.00000
    131       2.1670      0.00000
    132       2.1855      0.00000
    133       2.4012      0.00000
    134       2.4539      0.00000
    135       2.5252      0.00000
    136       2.5995      0.00000
    137       2.6336      0.00000
    138       2.6909      0.00000
    139       2.7591      0.00000
    140       2.8231      0.00000
    141       2.9404      0.00000
    142       3.0669      0.00000
    143       3.1895      0.00000
    144       3.2024      0.00000
    145       3.2492      0.00000
    146       3.3015      0.00000
    147       3.3145      0.00000
    148       3.4567      0.00000
    149       3.4895      0.00000
    150       3.6919      0.00000
    151       3.7039      0.00000
    152       3.7203      0.00000
    153       3.8519      0.00000
    154       3.9030      0.00000
    155       3.9261      0.00000
    156       3.9714      0.00000
    157       4.0027      0.00000
    158       4.0266      0.00000
    159       4.0371      0.00000
    160       4.0485      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2078      1.00000
      2     -22.1157      1.00000
      3     -21.9549      1.00000
      4     -21.4024      1.00000
      5     -21.0477      1.00000
      6     -21.0126      1.00000
      7     -20.4986      1.00000
      8     -20.4601      1.00000
      9     -20.2935      1.00000
     10     -20.2745      1.00000
     11     -19.9560      1.00000
     12     -19.8904      1.00000
     13     -18.8811      1.00000
     14     -18.8126      1.00000
     15     -18.3517      1.00000
     16     -18.3065      1.00000
     17     -18.1523      1.00000
     18     -18.1352      1.00000
     19     -17.8260      1.00000
     20     -17.7891      1.00000
     21     -17.2520      1.00000
     22     -17.2409      1.00000
     23     -17.1656      1.00000
     24     -17.1322      1.00000
     25     -16.1088      1.00000
     26     -15.8840      1.00000
     27     -15.8692      1.00000
     28     -15.8341      1.00000
     29     -15.2374      1.00000
     30     -14.5542      1.00000
     31     -14.5270      1.00000
     32     -14.2813      1.00000
     33     -13.9647      1.00000
     34     -13.9564      1.00000
     35     -13.8216      1.00000
     36     -13.8048      1.00000
     37     -13.6146      1.00000
     38     -13.5714      1.00000
     39     -13.3684      1.00000
     40     -12.6336      1.00000
     41     -12.1811      1.00000
     42     -12.1337      1.00000
     43     -12.0713      1.00000
     44     -12.0187      1.00000
     45     -11.6708      1.00000
     46     -11.6576      1.00000
     47     -11.1390      1.00000
     48     -11.1191      1.00000
     49     -10.7943      1.00000
     50     -10.7302      1.00000
     51     -10.5226      1.00000
     52     -10.2107      1.00000
     53     -10.2053      1.00000
     54     -10.1630      1.00000
     55     -10.0186      1.00000
     56     -10.0035      1.00000
     57      -9.9901      1.00000
     58      -9.8026      1.00000
     59      -9.7988      1.00000
     60      -9.7637      1.00000
     61      -9.7590      1.00000
     62      -9.4542      1.00000
     63      -9.4149      1.00000
     64      -9.0782      1.00000
     65      -9.0741      1.00000
     66      -9.0420      1.00000
     67      -8.9561      1.00000
     68      -8.8759      1.00000
     69      -8.7135      1.00000
     70      -8.7014      1.00000
     71      -8.5657      1.00000
     72      -8.5434      1.00000
     73      -8.4984      1.00000
     74      -8.4645      1.00000
     75      -8.4545      1.00000
     76      -8.2583      1.00000
     77      -8.1249      1.00000
     78      -8.0419      1.00000
     79      -7.9173      1.00000
     80      -7.8618      1.00000
     81      -7.6164      1.00000
     82      -7.5485      1.00000
     83      -7.4958      1.00000
     84      -7.2623      1.00000
     85      -6.9973      1.00000
     86      -6.9262      1.00000
     87      -6.8848      1.00000
     88      -6.5339      1.00000
     89      -6.4879      1.00000
     90      -6.4614      1.00000
     91      -6.4098      1.00000
     92      -5.9826      1.00000
     93      -5.8972      1.00000
     94      -5.7850      1.00000
     95      -5.7593      1.00000
     96      -5.4302      1.00000
     97      -5.3288      1.00000
     98      -5.2310      1.00000
     99      -5.2182      1.00000
    100      -5.1883      1.00000
    101      -4.6893      1.00000
    102      -4.4167      1.00000
    103      -4.2052      1.00000
    104      -3.8272      1.00000
    105      -3.5212      1.00000
    106      -3.2755      1.00000
    107      -2.5341      0.00000
    108      -1.4566      0.00000
    109      -1.2703      0.00000
    110      -1.2058      0.00000
    111      -1.1753      0.00000
    112      -0.7215      0.00000
    113      -0.5071      0.00000
    114      -0.4153      0.00000
    115      -0.3425      0.00000
    116      -0.1495      0.00000
    117      -0.0066      0.00000
    118       0.1891      0.00000
    119       0.5565      0.00000
    120       0.6083      0.00000
    121       0.7927      0.00000
    122       0.8998      0.00000
    123       1.1267      0.00000
    124       1.4835      0.00000
    125       1.6261      0.00000
    126       1.8370      0.00000
    127       1.9182      0.00000
    128       2.0964      0.00000
    129       2.1070      0.00000
    130       2.1445      0.00000
    131       2.1847      0.00000
    132       2.2749      0.00000
    133       2.3308      0.00000
    134       2.4662      0.00000
    135       2.5750      0.00000
    136       2.6483      0.00000
    137       2.8459      0.00000
    138       2.8649      0.00000
    139       2.8860      0.00000
    140       2.9899      0.00000
    141       3.0076      0.00000
    142       3.1337      0.00000
    143       3.1742      0.00000
    144       3.2171      0.00000
    145       3.2632      0.00000
    146       3.2783      0.00000
    147       3.2956      0.00000
    148       3.3405      0.00000
    149       3.4159      0.00000
    150       3.4375      0.00000
    151       3.5407      0.00000
    152       3.6148      0.00000
    153       3.7007      0.00000
    154       3.7231      0.00000
    155       3.7632      0.00000
    156       3.8905      0.00000
    157       3.9209      0.00000
    158       3.9924      0.00000
    159       4.1179      0.00000
    160       4.2093      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3149      1.00000
      2     -21.9620      1.00000
      3     -21.8904      1.00000
      4     -21.3824      1.00000
      5     -21.3468      1.00000
      6     -20.8376      1.00000
      7     -20.7714      1.00000
      8     -20.6232      1.00000
      9     -20.0879      1.00000
     10     -20.0598      1.00000
     11     -19.7168      1.00000
     12     -19.6886      1.00000
     13     -19.0084      1.00000
     14     -18.9779      1.00000
     15     -18.6488      1.00000
     16     -18.6167      1.00000
     17     -18.4595      1.00000
     18     -17.6597      1.00000
     19     -17.6456      1.00000
     20     -17.6101      1.00000
     21     -17.5771      1.00000
     22     -17.1367      1.00000
     23     -17.0974      1.00000
     24     -16.9665      1.00000
     25     -16.0089      1.00000
     26     -15.9219      1.00000
     27     -15.5977      1.00000
     28     -15.5748      1.00000
     29     -15.2795      1.00000
     30     -14.8760      1.00000
     31     -14.8299      1.00000
     32     -14.5747      1.00000
     33     -14.5365      1.00000
     34     -14.1646      1.00000
     35     -14.1597      1.00000
     36     -13.1625      1.00000
     37     -13.0951      1.00000
     38     -13.0226      1.00000
     39     -13.0187      1.00000
     40     -12.7176      1.00000
     41     -12.6949      1.00000
     42     -12.3404      1.00000
     43     -12.3129      1.00000
     44     -11.6327      1.00000
     45     -11.6234      1.00000
     46     -11.5697      1.00000
     47     -10.9413      1.00000
     48     -10.9229      1.00000
     49     -10.6652      1.00000
     50     -10.5907      1.00000
     51     -10.5722      1.00000
     52     -10.5020      1.00000
     53     -10.4881      1.00000
     54     -10.4403      1.00000
     55     -10.3556      1.00000
     56     -10.1009      1.00000
     57      -9.8962      1.00000
     58      -9.6083      1.00000
     59      -9.5506      1.00000
     60      -9.4519      1.00000
     61      -9.4203      1.00000
     62      -9.4087      1.00000
     63      -9.3800      1.00000
     64      -9.3721      1.00000
     65      -9.2660      1.00000
     66      -9.1667      1.00000
     67      -9.1431      1.00000
     68      -9.1166      1.00000
     69      -8.8672      1.00000
     70      -8.8612      1.00000
     71      -8.8013      1.00000
     72      -8.5947      1.00000
     73      -8.5243      1.00000
     74      -8.1947      1.00000
     75      -8.1717      1.00000
     76      -8.0783      1.00000
     77      -7.8589      1.00000
     78      -7.8374      1.00000
     79      -7.8206      1.00000
     80      -7.7119      1.00000
     81      -7.6976      1.00000
     82      -7.6012      1.00000
     83      -7.5243      1.00000
     84      -7.3516      1.00000
     85      -7.1657      1.00000
     86      -6.9072      1.00000
     87      -6.8975      1.00000
     88      -6.5934      1.00000
     89      -6.5507      1.00000
     90      -6.4073      1.00000
     91      -6.3021      1.00000
     92      -6.2478      1.00000
     93      -6.2038      1.00000
     94      -6.0031      1.00000
     95      -5.5306      1.00000
     96      -5.4652      1.00000
     97      -5.3132      1.00000
     98      -5.2097      1.00000
     99      -5.0450      1.00000
    100      -4.7221      1.00000
    101      -4.6705      1.00000
    102      -4.4187      1.00000
    103      -4.1914      1.00000
    104      -3.8365      1.00000
    105      -3.6315      1.00000
    106      -3.4138      1.00000
    107      -2.2940      0.00000
    108      -1.5087      0.00000
    109      -1.2728      0.00000
    110      -1.2662      0.00000
    111      -1.0364      0.00000
    112      -0.9812      0.00000
    113      -0.8711      0.00000
    114      -0.8031      0.00000
    115      -0.2636      0.00000
    116       0.2004      0.00000
    117       0.2355      0.00000
    118       0.3552      0.00000
    119       0.6851      0.00000
    120       0.8894      0.00000
    121       0.9193      0.00000
    122       1.0360      0.00000
    123       1.1600      0.00000
    124       1.5022      0.00000
    125       1.5509      0.00000
    126       1.6987      0.00000
    127       1.7744      0.00000
    128       1.8261      0.00000
    129       1.9584      0.00000
    130       1.9756      0.00000
    131       2.1758      0.00000
    132       2.2500      0.00000
    133       2.4049      0.00000
    134       2.4589      0.00000
    135       2.5256      0.00000
    136       2.5946      0.00000
    137       2.6135      0.00000
    138       2.6940      0.00000
    139       2.7400      0.00000
    140       2.8488      0.00000
    141       3.0282      0.00000
    142       3.0661      0.00000
    143       3.1806      0.00000
    144       3.2339      0.00000
    145       3.2515      0.00000
    146       3.2834      0.00000
    147       3.3319      0.00000
    148       3.4413      0.00000
    149       3.5117      0.00000
    150       3.6871      0.00000
    151       3.7110      0.00000
    152       3.7406      0.00000
    153       3.8222      0.00000
    154       3.8799      0.00000
    155       3.9163      0.00000
    156       3.9675      0.00000
    157       3.9991      0.00000
    158       4.0318      0.00000
    159       4.0336      0.00000
    160       4.0819      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3871      1.00000
      2     -21.8283      1.00000
      3     -21.6391      1.00000
      4     -21.6050      1.00000
      5     -21.2767      1.00000
      6     -21.2304      1.00000
      7     -21.0545      1.00000
      8     -20.1693      1.00000
      9     -20.1241      1.00000
     10     -19.6156      1.00000
     11     -19.5901      1.00000
     12     -19.4139      1.00000
     13     -19.0928      1.00000
     14     -19.0550      1.00000
     15     -19.0507      1.00000
     16     -19.0379      1.00000
     17     -18.3660      1.00000
     18     -18.3466      1.00000
     19     -18.0152      1.00000
     20     -17.0708      1.00000
     21     -17.0229      1.00000
     22     -16.9495      1.00000
     23     -16.9360      1.00000
     24     -16.4757      1.00000
     25     -16.4637      1.00000
     26     -15.6089      1.00000
     27     -15.6084      1.00000
     28     -15.2489      1.00000
     29     -15.2371      1.00000
     30     -15.1900      1.00000
     31     -15.1003      1.00000
     32     -15.0680      1.00000
     33     -14.6984      1.00000
     34     -14.6975      1.00000
     35     -13.7252      1.00000
     36     -13.7251      1.00000
     37     -13.2343      1.00000
     38     -12.6240      1.00000
     39     -12.5809      1.00000
     40     -12.4534      1.00000
     41     -12.4481      1.00000
     42     -12.1055      1.00000
     43     -12.1008      1.00000
     44     -11.7221      1.00000
     45     -11.6841      1.00000
     46     -11.2462      1.00000
     47     -11.2263      1.00000
     48     -11.0167      1.00000
     49     -11.0051      1.00000
     50     -10.9278      1.00000
     51     -10.8996      1.00000
     52     -10.6318      1.00000
     53     -10.1716      1.00000
     54     -10.1491      1.00000
     55     -10.0854      1.00000
     56      -9.9877      1.00000
     57      -9.6958      1.00000
     58      -9.6886      1.00000
     59      -9.6693      1.00000
     60      -9.5937      1.00000
     61      -9.5698      1.00000
     62      -9.5520      1.00000
     63      -9.3119      1.00000
     64      -9.2997      1.00000
     65      -9.2810      1.00000
     66      -9.2457      1.00000
     67      -9.1210      1.00000
     68      -9.1121      1.00000
     69      -9.1105      1.00000
     70      -8.9379      1.00000
     71      -8.8779      1.00000
     72      -8.6069      1.00000
     73      -8.5885      1.00000
     74      -8.2719      1.00000
     75      -8.1013      1.00000
     76      -7.8705      1.00000
     77      -7.8427      1.00000
     78      -7.7904      1.00000
     79      -7.7656      1.00000
     80      -7.7563      1.00000
     81      -7.4392      1.00000
     82      -7.3350      1.00000
     83      -7.3237      1.00000
     84      -7.2653      1.00000
     85      -7.1666      1.00000
     86      -7.0183      1.00000
     87      -6.9856      1.00000
     88      -6.7170      1.00000
     89      -6.6924      1.00000
     90      -6.6310      1.00000
     91      -6.5899      1.00000
     92      -6.1180      1.00000
     93      -6.0599      1.00000
     94      -6.0450      1.00000
     95      -6.0308      1.00000
     96      -5.7475      1.00000
     97      -4.9695      1.00000
     98      -4.8383      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4792      1.00000
    102      -4.3465      1.00000
    103      -4.1125      1.00000
    104      -4.0552      1.00000
    105      -3.7507      1.00000
    106      -3.4592      1.00000
    107      -1.9499      0.00000
    108      -1.7739      0.00000
    109      -1.4825      0.00000
    110      -1.3581      0.00000
    111      -1.3397      0.00000
    112      -1.2955      0.00000
    113      -0.6811      0.00000
    114      -0.4730      0.00000
    115      -0.2386      0.00000
    116       0.0471      0.00000
    117       0.5817      0.00000
    118       0.6891      0.00000
    119       0.7646      0.00000
    120       1.0150      0.00000
    121       1.0934      0.00000
    122       1.1706      0.00000
    123       1.2458      0.00000
    124       1.3315      0.00000
    125       1.4279      0.00000
    126       1.5829      0.00000
    127       1.7572      0.00000
    128       1.8380      0.00000
    129       1.8551      0.00000
    130       1.8824      0.00000
    131       2.0382      0.00000
    132       2.2106      0.00000
    133       2.2234      0.00000
    134       2.2746      0.00000
    135       2.4718      0.00000
    136       2.6018      0.00000
    137       2.6350      0.00000
    138       2.7401      0.00000
    139       2.7770      0.00000
    140       2.8304      0.00000
    141       2.8390      0.00000
    142       2.8663      0.00000
    143       2.9429      0.00000
    144       3.0706      0.00000
    145       3.2999      0.00000
    146       3.3504      0.00000
    147       3.3940      0.00000
    148       3.4101      0.00000
    149       3.4115      0.00000
    150       3.5779      0.00000
    151       3.6389      0.00000
    152       3.6573      0.00000
    153       3.7185      0.00000
    154       3.8840      0.00000
    155       3.9140      0.00000
    156       3.9462      0.00000
    157       4.1031      0.00000
    158       4.1917      0.00000
    159       4.2309      0.00000
    160       4.2736      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2068      1.00000
      2     -22.1171      1.00000
      3     -21.9546      1.00000
      4     -21.4027      1.00000
      5     -21.0438      1.00000
      6     -21.0162      1.00000
      7     -20.4940      1.00000
      8     -20.4647      1.00000
      9     -20.2842      1.00000
     10     -20.2824      1.00000
     11     -19.9553      1.00000
     12     -19.8927      1.00000
     13     -18.8823      1.00000
     14     -18.8154      1.00000
     15     -18.3360      1.00000
     16     -18.3173      1.00000
     17     -18.1481      1.00000
     18     -18.1408      1.00000
     19     -17.8143      1.00000
     20     -17.7967      1.00000
     21     -17.2580      1.00000
     22     -17.2389      1.00000
     23     -17.1590      1.00000
     24     -17.1359      1.00000
     25     -16.1147      1.00000
     26     -15.8795      1.00000
     27     -15.8688      1.00000
     28     -15.8417      1.00000
     29     -15.2304      1.00000
     30     -14.5510      1.00000
     31     -14.5331      1.00000
     32     -14.2755      1.00000
     33     -13.9740      1.00000
     34     -13.9504      1.00000
     35     -13.8253      1.00000
     36     -13.8027      1.00000
     37     -13.6039      1.00000
     38     -13.5791      1.00000
     39     -13.3683      1.00000
     40     -12.6373      1.00000
     41     -12.1693      1.00000
     42     -12.1433      1.00000
     43     -12.0677      1.00000
     44     -12.0211      1.00000
     45     -11.6640      1.00000
     46     -11.6597      1.00000
     47     -11.1378      1.00000
     48     -11.1274      1.00000
     49     -10.7914      1.00000
     50     -10.7357      1.00000
     51     -10.5296      1.00000
     52     -10.2074      1.00000
     53     -10.2016      1.00000
     54     -10.1687      1.00000
     55     -10.0213      1.00000
     56      -9.9928      1.00000
     57      -9.9896      1.00000
     58      -9.8049      1.00000
     59      -9.7955      1.00000
     60      -9.7663      1.00000
     61      -9.7585      1.00000
     62      -9.4566      1.00000
     63      -9.4152      1.00000
     64      -9.0842      1.00000
     65      -9.0458      1.00000
     66      -9.0247      1.00000
     67      -8.9708      1.00000
     68      -8.8960      1.00000
     69      -8.7078      1.00000
     70      -8.6989      1.00000
     71      -8.5622      1.00000
     72      -8.5517      1.00000
     73      -8.4786      1.00000
     74      -8.4606      1.00000
     75      -8.4567      1.00000
     76      -8.3043      1.00000
     77      -8.0927      1.00000
     78      -8.0895      1.00000
     79      -7.9275      1.00000
     80      -7.8333      1.00000
     81      -7.6000      1.00000
     82      -7.5395      1.00000
     83      -7.4529      1.00000
     84      -7.3040      1.00000
     85      -6.9942      1.00000
     86      -6.9209      1.00000
     87      -6.8826      1.00000
     88      -6.5306      1.00000
     89      -6.5160      1.00000
     90      -6.4834      1.00000
     91      -6.4210      1.00000
     92      -5.9255      1.00000
     93      -5.9043      1.00000
     94      -5.7889      1.00000
     95      -5.7745      1.00000
     96      -5.3681      1.00000
     97      -5.3615      1.00000
     98      -5.2202      1.00000
     99      -5.2160      1.00000
    100      -5.1991      1.00000
    101      -4.7184      1.00000
    102      -4.4360      1.00000
    103      -4.1877      1.00000
    104      -3.8133      1.00000
    105      -3.5585      1.00000
    106      -3.2240      1.00000
    107      -2.5636      0.00000
    108      -1.4617      0.00000
    109      -1.2705      0.00000
    110      -1.1884      0.00000
    111      -1.1865      0.00000
    112      -0.6471      0.00000
    113      -0.5558      0.00000
    114      -0.4177      0.00000
    115      -0.3509      0.00000
    116      -0.0814      0.00000
    117      -0.0676      0.00000
    118       0.1229      0.00000
    119       0.5890      0.00000
    120       0.6224      0.00000
    121       0.8490      0.00000
    122       0.9805      0.00000
    123       0.9976      0.00000
    124       1.4861      0.00000
    125       1.6741      0.00000
    126       1.7529      0.00000
    127       1.8465      0.00000
    128       2.0999      0.00000
    129       2.1401      0.00000
    130       2.1854      0.00000
    131       2.2058      0.00000
    132       2.2505      0.00000
    133       2.3451      0.00000
    134       2.4893      0.00000
    135       2.5077      0.00000
    136       2.6536      0.00000
    137       2.8486      0.00000
    138       2.8556      0.00000
    139       2.9449      0.00000
    140       2.9775      0.00000
    141       3.0193      0.00000
    142       3.1301      0.00000
    143       3.1878      0.00000
    144       3.2294      0.00000
    145       3.2375      0.00000
    146       3.2729      0.00000
    147       3.2994      0.00000
    148       3.3490      0.00000
    149       3.4120      0.00000
    150       3.5410      0.00000
    151       3.5568      0.00000
    152       3.6374      0.00000
    153       3.6533      0.00000
    154       3.6968      0.00000
    155       3.7203      0.00000
    156       3.8920      0.00000
    157       3.9407      0.00000
    158       4.0221      0.00000
    159       4.0637      0.00000
    160       4.1706      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2806      1.00000
      2     -22.0764      1.00000
      3     -21.7178      1.00000
      4     -21.6796      1.00000
      5     -20.9805      1.00000
      6     -20.9337      1.00000
      7     -20.6092      1.00000
      8     -20.5772      1.00000
      9     -20.5643      1.00000
     10     -20.0303      1.00000
     11     -19.5120      1.00000
     12     -19.4826      1.00000
     13     -19.3105      1.00000
     14     -19.2977      1.00000
     15     -18.4478      1.00000
     16     -18.4055      1.00000
     17     -17.9268      1.00000
     18     -17.9068      1.00000
     19     -17.7642      1.00000
     20     -17.7201      1.00000
     21     -17.4412      1.00000
     22     -17.4230      1.00000
     23     -17.3368      1.00000
     24     -16.4717      1.00000
     25     -16.4614      1.00000
     26     -15.9688      1.00000
     27     -15.4107      1.00000
     28     -15.4098      1.00000
     29     -15.0958      1.00000
     30     -15.0928      1.00000
     31     -14.8525      1.00000
     32     -14.8405      1.00000
     33     -14.2969      1.00000
     34     -14.2539      1.00000
     35     -13.4437      1.00000
     36     -13.4006      1.00000
     37     -13.1753      1.00000
     38     -13.1741      1.00000
     39     -12.9838      1.00000
     40     -12.9750      1.00000
     41     -12.6111      1.00000
     42     -12.6091      1.00000
     43     -12.1960      1.00000
     44     -11.5799      1.00000
     45     -11.5395      1.00000
     46     -11.3139      1.00000
     47     -11.2840      1.00000
     48     -11.1412      1.00000
     49     -10.6914      1.00000
     50     -10.6649      1.00000
     51     -10.5436      1.00000
     52     -10.3213      1.00000
     53     -10.3138      1.00000
     54     -10.1734      1.00000
     55     -10.1232      1.00000
     56     -10.1097      1.00000
     57      -9.8093      1.00000
     58      -9.7513      1.00000
     59      -9.7512      1.00000
     60      -9.7020      1.00000
     61      -9.6984      1.00000
     62      -9.6452      1.00000
     63      -9.3523      1.00000
     64      -9.3508      1.00000
     65      -9.3206      1.00000
     66      -9.0266      1.00000
     67      -8.9614      1.00000
     68      -8.9565      1.00000
     69      -8.7742      1.00000
     70      -8.5944      1.00000
     71      -8.5853      1.00000
     72      -8.4212      1.00000
     73      -8.3487      1.00000
     74      -8.3230      1.00000
     75      -8.3022      1.00000
     76      -8.2676      1.00000
     77      -8.2563      1.00000
     78      -8.2420      1.00000
     79      -7.9248      1.00000
     80      -7.7360      1.00000
     81      -7.3800      1.00000
     82      -7.3506      1.00000
     83      -7.3137      1.00000
     84      -7.2179      1.00000
     85      -7.1593      1.00000
     86      -7.0685      1.00000
     87      -6.9603      1.00000
     88      -6.9077      1.00000
     89      -6.6169      1.00000
     90      -6.5571      1.00000
     91      -6.2747      1.00000
     92      -5.9953      1.00000
     93      -5.9587      1.00000
     94      -5.6747      1.00000
     95      -5.6481      1.00000
     96      -5.3861      1.00000
     97      -5.3143      1.00000
     98      -5.2933      1.00000
     99      -5.2124      1.00000
    100      -5.2006      1.00000
    101      -4.5042      1.00000
    102      -4.3323      1.00000
    103      -3.9965      1.00000
    104      -3.8858      1.00000
    105      -3.7886      1.00000
    106      -3.4382      1.00000
    107      -2.0340      0.00000
    108      -1.8661      0.00000
    109      -1.2184      0.00000
    110      -1.1872      0.00000
    111      -1.0387      0.00000
    112      -0.7750      0.00000
    113      -0.6813      0.00000
    114      -0.6630      0.00000
    115      -0.6127      0.00000
    116      -0.1058      0.00000
    117       0.2191      0.00000
    118       0.2355      0.00000
    119       0.7638      0.00000
    120       0.9785      0.00000
    121       1.0714      0.00000
    122       1.2356      0.00000
    123       1.2468      0.00000
    124       1.3331      0.00000
    125       1.5709      0.00000
    126       1.5806      0.00000
    127       1.6915      0.00000
    128       1.7841      0.00000
    129       1.9363      0.00000
    130       1.9486      0.00000
    131       2.0795      0.00000
    132       2.2897      0.00000
    133       2.3386      0.00000
    134       2.4111      0.00000
    135       2.5260      0.00000
    136       2.6208      0.00000
    137       2.7617      0.00000
    138       2.8190      0.00000
    139       2.8371      0.00000
    140       2.8548      0.00000
    141       3.0278      0.00000
    142       3.0930      0.00000
    143       3.1413      0.00000
    144       3.2082      0.00000
    145       3.3671      0.00000
    146       3.4086      0.00000
    147       3.4891      0.00000
    148       3.5260      0.00000
    149       3.5844      0.00000
    150       3.5961      0.00000
    151       3.6328      0.00000
    152       3.7254      0.00000
    153       3.7355      0.00000
    154       3.7660      0.00000
    155       3.8099      0.00000
    156       3.8696      0.00000
    157       4.0168      0.00000
    158       4.0782      0.00000
    159       4.1582      0.00000
    160       4.1961      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0435   -7.3964    4.1994   -1.2766   -0.2384   17.6014    0.1397   -0.5294    0.6316   -0.4648
x    -3.0916   -0.0371   -0.0632    0.0619   -0.0110   -2.9778   -0.0099   -0.0068    0.0048    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0002   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0435    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0005   -0.0941   -0.0089    0.0372    0.0391
y    -0.0450   -3.2443   -0.5414   -0.1645   -1.1934   -0.6058
z   204.0435    1.1065   -0.3117    0.0491    0.0207    0.0867   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1125    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7833
z    -0.2198    0.2319   -0.0554    0.0612   -0.0902    0.0008
 total charge-density along one line
x   212.0000  -10.2276    6.1480   -2.0869   -0.4743   19.5186   -1.0050    0.4784   -0.0482   -0.1249
x    -2.6449   -0.0274   -0.0610    0.0848   -0.0547   -2.2244   -0.0243   -0.0023    0.0051    0.0021
x    -0.0895    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2276    6.1480   -2.0869   -0.4743   19.5186   -1.0050    0.4784   -0.0482   -0.1249
y    -2.6449   -0.0274   -0.0610    0.0848   -0.0547   -2.2244   -0.0243   -0.0023    0.0051    0.0021
y    -0.0895    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3208  188.8879 -170.1395  154.0525 -140.5027  126.8030 -111.4207   95.0624  -79.2531
z    64.8725  -52.0759   40.9769  -31.9103   25.0385  -19.9717   15.9425  -12.3465    9.0725   -6.3485
z     4.3498   -2.9853    2.0024   -1.2127    0.5846   -0.1552   -0.0932    0.2481   -0.3869    0.5127
z    -0.5773    0.5537   -0.4734    0.3957   -0.3539    0.3356   -0.3103    0.2652   -0.2125    0.1704
z    -0.1438    0.1247   -0.1045    0.0829   -0.0653    0.0546   -0.0484    0.0427   -0.0357    0.0289
z    -0.0241    0.0211   -0.0187    0.0159   -0.0129    0.0103   -0.0082    0.0064   -0.0048    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.096   0.000   0.000
  0.000   0.212   0.000   1.567   0.000   0.000  -0.310   0.000   0.628   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.132   0.000  -0.034  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.132   0.000   0.414   0.000   0.077   0.587  -0.238   0.000   0.063   0.000   0.000
  0.000  -0.310   0.000   0.628   0.000   0.000  -0.191   0.000   0.376   0.000   0.000   0.000  -0.051   0.000   0.070   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.587   0.000   0.163   1.368  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.096   0.000   0.026  -0.093   0.000   0.063   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.070   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.013   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.031   8.933
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.783   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.783   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.862  89.401   8.031 142.294
 


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


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


    CHARGE:  VPU time   90.25: CPU time   45.48
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  362.67: CPU time  183.31
    STRESS:  VPU time 1089.16: CPU time  547.71
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force = 0.3603297E-05[ 0.230E-05, 0.491E-05]  d Energy = 0.1090353E-04-0.730E-05
 d Force = 0.3408311E-01[ 0.341E-01, 0.341E-01]  d Ewald  =-0.1329036E+01 0.136E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726579 eV

  energy  without entropy=     -471.726579  energy(sigma->0) =     -471.726579
 

  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    40788.63  40746.90 -47485.18    -36.13      0.00      0.00
  Hartree  40215.02  40198.87 -39472.84    -13.98      0.00      0.00
  E(xc)     -779.35   -779.64   -807.28     -0.25      0.00      0.00
  Local   -83287.89 -83238.97  84273.08     42.37      0.00      0.00
  n-local   -216.75   -215.60   -203.47      0.73      0.00      0.00
  augment     20.07     22.06     17.82      1.72      0.00      0.00
  Kinetic   3161.98   3175.40   3583.62      3.28      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.63     -0.76     -0.31     -0.11      0.00      0.00
  in kB       -0.38     -0.46     -0.19     -0.07      0.00      0.00
  external pressure =       -0.35 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
    12.347217563  0.001604118  0.000000000     0.080983834  0.046742079  0.000000000
    -6.172226217 10.693802124  0.000000000    -0.000012148  0.093505098  0.000000000
     0.000000000  0.000000000 19.977960884     0.000000000  0.000000000  0.050055159

  length of vectors
    12.347217667 12.347217514 19.977960884     0.093505098  0.093505099  0.050055159


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.358E-05 -.494E-04 -.950E+03   0.420E-05 -.275E-04 0.959E+03   0.805E-20 -.848E-21 -.869E+01   -.185E-07 0.107E-07 -.234E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.889E+00 -.253E+01   0.742E-04 -.436E-04 0.896E-04
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.889E+00 -.253E+01   -.742E-04 0.436E-04 0.896E-04
   -.201E+01 0.116E+01 0.135E+02   0.201E+01 -.116E+01 -.135E+02   0.781E-03 -.451E-03 -.338E-01   -.435E-03 0.248E-03 0.323E-03
   0.621E+01 0.685E+01 0.164E+02   -.621E+01 -.687E+01 -.164E+02   0.190E-02 0.174E-01 -.370E-01   -.327E-03 0.319E-03 0.242E-03
   0.112E+02 0.507E+01 0.166E+02   -.112E+02 -.508E+01 -.165E+02   0.187E-01 0.822E-02 -.485E-01   -.498E-03 0.330E-03 -.949E-04
   0.469E+01 -.876E+00 0.154E+02   -.470E+01 0.883E+00 -.154E+02   0.156E-01 -.727E-02 -.968E-02   -.552E-03 0.268E-03 -.277E-03
   -.305E+01 -.251E+01 0.138E+02   0.305E+01 0.251E+01 -.138E+02   0.185E-02 0.127E-02 -.459E-02   -.495E-03 0.269E-03 -.955E-04
   0.652E+00 0.390E+01 0.138E+02   -.649E+00 -.389E+01 -.138E+02   -.177E-03 -.224E-02 -.459E-02   -.485E-03 0.288E-03 -.987E-04
   0.246E+01 0.188E+02 0.226E+02   -.246E+01 -.189E+02 -.225E+02   -.134E-03 0.989E-01 -.415E-01   -.453E-03 0.498E-03 0.559E-04
   0.226E+02 0.213E+02 0.403E+02   -.227E+02 -.216E+02 -.402E+02   0.757E-01 0.257E+00 -.725E-01   -.270E-03 0.588E-03 0.323E-03
   0.266E+02 -.342E+01 0.259E+02   -.269E+02 0.352E+01 -.258E+02   0.266E+00 -.109E+00 -.391E-01   -.260E-03 0.859E-04 0.621E-04
   0.910E+01 -.526E+01 0.156E+02   -.915E+01 0.528E+01 -.155E+02   0.426E-01 -.246E-01 -.151E-01   -.655E-03 0.372E-03 -.987E-04
   0.310E+01 -.362E+01 0.154E+02   -.312E+01 0.363E+01 -.154E+02   0.141E-01 -.990E-02 -.968E-02   -.510E-03 0.340E-03 -.284E-03
   -.588E+01 0.135E+02 0.177E+02   0.588E+01 -.136E+02 -.176E+02   0.549E-03 0.699E-01 -.442E-01   -.671E-03 0.215E-03 -.650E-04
   -.118E+02 0.359E+02 0.467E+02   0.118E+02 -.365E+02 -.470E+02   -.299E-01 0.602E+00 0.297E+00   -.899E-03 0.590E-03 0.150E-03
   0.234E+02 -.135E+02 0.914E+02   -.241E+02 0.139E+02 -.935E+02   0.631E+00 -.364E+00 0.202E+01   0.220E-04 -.153E-04 0.221E-03
   0.163E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.258E+02   0.227E+00 -.176E+00 -.391E-01   -.207E-03 0.174E-03 0.578E-04
   0.120E+01 -.122E+02 0.166E+02   -.120E+01 0.122E+02 -.165E+02   0.221E-02 -.203E-01 -.485E-01   -.532E-03 0.265E-03 -.998E-04
   -.412E+01 0.190E+01 0.142E+02   0.412E+01 -.191E+01 -.141E+02   0.174E-02 0.938E-02 -.332E-01   -.383E-03 0.236E-03 -.251E-03
   -.191E+02 0.110E+02 0.224E+02   0.191E+02 -.111E+02 -.224E+02   -.495E-01 0.286E-01 -.472E-01   -.596E-03 0.348E-03 0.178E-03
   -.370E+02 -.775E+01 0.467E+02   0.375E+02 0.803E+01 -.470E+02   -.537E+00 -.275E+00 0.297E+00   -.958E-03 0.483E-03 0.153E-03
   -.716E+01 -.302E+02 0.403E+02   0.735E+01 0.304E+02 -.402E+02   -.185E+00 -.194E+00 -.725E-01   -.641E-03 -.650E-04 0.321E-03
   -.283E+01 -.880E+01 0.164E+02   0.285E+01 0.881E+01 -.164E+02   -.141E-01 -.103E-01 -.370E-01   -.438E-03 0.121E-03 0.241E-03
   0.141E+01 -.812E+00 0.129E+02   -.141E+01 0.812E+00 -.129E+02   0.162E-02 -.935E-03 -.308E-01   -.542E-03 0.315E-03 0.150E-03
   -.370E+01 0.262E+01 0.142E+02   0.371E+01 -.261E+01 -.141E+02   -.726E-02 -.619E-02 -.332E-01   -.394E-03 0.218E-03 -.247E-03
   -.146E+02 -.167E+01 0.177E+02   0.147E+02 0.170E+01 -.176E+02   -.602E-01 -.354E-01 -.442E-01   -.520E-03 0.472E-03 -.582E-04
   -.150E+02 -.115E+02 0.226E+02   0.151E+02 0.116E+02 -.225E+02   -.857E-01 -.493E-01 -.415E-01   -.656E-03 0.138E-03 0.584E-04
   0.283E+01 0.880E+01 0.164E+02   -.285E+01 -.881E+01 -.164E+02   0.141E-01 0.103E-01 -.370E-01   0.438E-03 -.121E-03 0.241E-03
   0.150E+02 0.115E+02 0.226E+02   -.151E+02 -.116E+02 -.225E+02   0.857E-01 0.493E-01 -.415E-01   0.656E-03 -.138E-03 0.584E-04
   0.146E+02 0.167E+01 0.177E+02   -.147E+02 -.170E+01 -.176E+02   0.602E-01 0.354E-01 -.442E-01   0.520E-03 -.472E-03 -.582E-04
   0.370E+01 -.262E+01 0.142E+02   -.371E+01 0.261E+01 -.141E+02   0.726E-02 0.619E-02 -.332E-01   0.394E-03 -.218E-03 -.247E-03
   -.141E+01 0.812E+00 0.129E+02   0.141E+01 -.811E+00 -.129E+02   -.162E-02 0.935E-03 -.308E-01   0.542E-03 -.315E-03 0.150E-03
   -.120E+01 0.122E+02 0.166E+02   0.120E+01 -.122E+02 -.165E+02   -.221E-02 0.203E-01 -.485E-01   0.532E-03 -.265E-03 -.998E-04
   0.716E+01 0.302E+02 0.403E+02   -.735E+01 -.304E+02 -.402E+02   0.185E+00 0.194E+00 -.725E-01   0.641E-03 0.650E-04 0.321E-03
   0.370E+02 0.775E+01 0.467E+02   -.375E+02 -.803E+01 -.470E+02   0.537E+00 0.275E+00 0.297E+00   0.958E-03 -.483E-03 0.153E-03
   0.191E+02 -.110E+02 0.224E+02   -.191E+02 0.111E+02 -.224E+02   0.495E-01 -.286E-01 -.472E-01   0.596E-03 -.348E-03 0.178E-03
   0.412E+01 -.190E+01 0.142E+02   -.412E+01 0.191E+01 -.141E+02   -.174E-02 -.938E-02 -.332E-01   0.383E-03 -.236E-03 -.251E-03
   -.310E+01 0.362E+01 0.154E+02   0.312E+01 -.363E+01 -.154E+02   -.141E-01 0.990E-02 -.968E-02   0.510E-03 -.340E-03 -.284E-03
   -.163E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.258E+02   -.227E+00 0.176E+00 -.391E-01   0.207E-03 -.174E-03 0.579E-04
   -.234E+02 0.135E+02 0.914E+02   0.241E+02 -.139E+02 -.935E+02   -.631E+00 0.364E+00 0.202E+01   -.220E-04 0.154E-04 0.221E-03
   0.118E+02 -.359E+02 0.467E+02   -.118E+02 0.365E+02 -.470E+02   0.299E-01 -.602E+00 0.297E+00   0.899E-03 -.590E-03 0.150E-03
   0.588E+01 -.135E+02 0.177E+02   -.588E+01 0.136E+02 -.176E+02   -.549E-03 -.699E-01 -.442E-01   0.671E-03 -.215E-03 -.650E-04
   -.652E+00 -.390E+01 0.138E+02   0.649E+00 0.389E+01 -.138E+02   0.177E-03 0.224E-02 -.459E-02   0.485E-03 -.288E-03 -.987E-04
   -.910E+01 0.526E+01 0.156E+02   0.915E+01 -.528E+01 -.155E+02   -.426E-01 0.246E-01 -.151E-01   0.655E-03 -.372E-03 -.987E-04
   -.266E+02 0.342E+01 0.259E+02   0.269E+02 -.352E+01 -.258E+02   -.266E+00 0.109E+00 -.391E-01   0.260E-03 -.859E-04 0.621E-04
   -.226E+02 -.213E+02 0.403E+02   0.227E+02 0.216E+02 -.402E+02   -.757E-01 -.257E+00 -.725E-01   0.270E-03 -.588E-03 0.323E-03
   -.246E+01 -.188E+02 0.226E+02   0.246E+01 0.189E+02 -.225E+02   0.134E-03 -.989E-01 -.415E-01   0.453E-03 -.498E-03 0.559E-04
   0.201E+01 -.116E+01 0.135E+02   -.201E+01 0.116E+01 -.135E+02   -.781E-03 0.451E-03 -.338E-01   0.435E-03 -.248E-03 0.323E-03
   0.305E+01 0.251E+01 0.138E+02   -.305E+01 -.251E+01 -.138E+02   -.185E-02 -.127E-02 -.459E-02   0.495E-03 -.269E-03 -.955E-04
   -.469E+01 0.876E+00 0.154E+02   0.470E+01 -.883E+00 -.154E+02   -.156E-01 0.727E-02 -.968E-02   0.552E-03 -.268E-03 -.277E-03
   -.112E+02 -.507E+01 0.166E+02   0.112E+02 0.508E+01 -.165E+02   -.187E-01 -.822E-02 -.485E-01   0.498E-03 -.330E-03 -.949E-04
   -.621E+01 -.685E+01 0.164E+02   0.621E+01 0.687E+01 -.164E+02   -.190E-02 -.174E-01 -.370E-01   0.327E-03 -.319E-03 0.242E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.299E-03 0.101E+02   0.488E-13 0.711E-13 -.263E-12   0.304E-16 -.267E-15 -.101E+02   -.145E-07 0.109E-07 -.431E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85287      6.06052     12.33481         0.000000      0.000000     -0.016242
      1.07868      6.50749     13.59647        -0.002894      0.001671      0.000335
      2.62705      5.61354     13.59647         0.002894     -0.001671      0.000335
     -0.00004      0.00003      9.97628         0.004276     -0.002469     -0.009479
     -1.23473      2.13746      9.97646         0.002905     -0.004964     -0.005218
     -2.46984      4.27731      9.98199        -0.003550      0.000352      0.003946
     -3.70378      6.41636      9.97918         0.000699      0.000393      0.007101
     -4.93776      8.55506      9.97701         0.001833     -0.001701      0.002722
      2.46944      0.00029      9.97701         0.002390     -0.000737      0.002722
      1.23424      2.13758      9.98042         0.000399     -0.001597      0.001849
     -0.00213      4.27216      9.99437        -0.004739      0.000041     -0.007608
     -1.23801      6.41726     10.00585         0.000376     -0.001922     -0.001952
     -2.46869      8.55557      9.98330        -0.001930      0.001114      0.000838
      4.93859      0.00099      9.97918         0.000009     -0.000802      0.007101
      3.70481      2.13765      9.98802         0.002081     -0.002975      0.000203
      2.47073      4.26985     10.02723        -0.001467     -0.002692      0.001238
      1.22974      6.42028     10.03669         0.002009     -0.001160      0.010973
     -0.00152      8.55892     10.00585         0.001853      0.000636     -0.001952
      7.40803      0.00189      9.98199        -0.002080      0.002899      0.003946
      6.17358      2.13976      9.97888         0.003032     -0.000851      0.007773
      4.94007      4.27812      9.99795         0.002474     -0.001428     -0.008830
      3.71256      6.42077     10.02723         0.001598      0.002616      0.001238
      2.47412      8.56117      9.99437        -0.002405      0.004084     -0.007608
      9.87876      0.00218      9.97646         0.005751     -0.000034     -0.005218
      8.64326      2.14008      9.97630         0.001634     -0.000943     -0.005827
      7.40870      4.27905      9.97888         0.002253     -0.002201      0.007773
      6.17614      6.41812      9.98802         0.003617     -0.000315      0.000203
      4.94091      8.55773      9.98042         0.001583      0.000453      0.001849
     -0.00080      1.42505      9.97646        -0.005751      0.000034     -0.005218
     -1.23518      3.56330      9.98042        -0.001583     -0.000453      0.001849
     -2.47041      5.70291      9.98802        -0.003617      0.000315      0.000203
     -3.70297      7.84198      9.97888        -0.002253      0.002201      0.007773
     -4.93753      9.98095      9.97630        -0.001634      0.000943     -0.005827
      2.46992      1.42534      9.98199         0.002080     -0.002899      0.003946
      1.23161      3.55986      9.99437         0.002405     -0.004084     -0.007608
     -0.00683      5.70026     10.02723        -0.001598     -0.002616      0.001238
     -1.23433      7.84291      9.99795        -0.002474      0.001428     -0.008830
     -2.46785      9.98128      9.97888        -0.003032      0.000851      0.007773
      4.93937      1.42624      9.97918        -0.000009      0.000802      0.007101
      3.70725      3.56211     10.00585        -0.001853     -0.000636     -0.001952
      2.47599      5.70076     10.03669        -0.002009      0.001160      0.010973
      1.23500      7.85119     10.02723         0.001467      0.002692      0.001238
      0.00092      9.98338      9.98802        -0.002081      0.002975      0.000203
      7.40852      1.42694      9.97701        -0.002390      0.000737      0.002722
      6.17442      3.56547      9.98330         0.001930     -0.001114      0.000838
      4.94374      5.70378     10.00585        -0.000376      0.001922     -0.001952
      3.70787      7.84887      9.99437         0.004739     -0.000041     -0.007608
      2.47150      9.98345      9.98042        -0.000399      0.001597      0.001849
      9.87800      1.42721      9.97628        -0.004276      0.002469     -0.009479
      8.64349      3.56597      9.97701        -0.001833      0.001701      0.002722
      7.40952      5.70467      9.97918        -0.000699     -0.000393      0.007101
      6.17557      7.84372      9.98199         0.003550     -0.000352      0.003946
      4.94046      9.98357      9.97646        -0.002905      0.004964     -0.005218
 -----------------------------------------------------------------------------------
    total drift:                               -0.001809      0.000299     -0.003290


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




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


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  151.06: CPU time   75.64
     LOOP+:  VPU time 4114.47: CPU time 2104.07


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


    POTLOK:  VPU time    7.80: CPU time    7.71
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1107.09: CPU time  566.35
 BZINTS: Fermi energy: -3.211409;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.13: CPU time   45.46
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1205.48: CPU time  619.95

 eigenvalue-minimisations  :  4000
 total energy-change (2. order) :-0.4717266E+03  (-0.8387428E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9565879 magnetization   -0.0000027

 Broyden mixing:
  rms(total) = 0.43694E-03    rms(broyden)= 0.43683E-03
  rms(prec ) = 0.48247E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34051.64859362
  -1/2 Hartree   DENC   =    -40942.16497380
  -V(xc)+E(xc)   XCENC  =       726.49137371
  PAW double counting   =      4092.08047769    -4130.40186937
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.82003982
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72658437 eV

  energy without entropy =     -471.72658437  energy(sigma->0) =     -471.72658437


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




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


    POTLOK:  VPU time    7.70: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1148.36: CPU time  587.23
 BZINTS: Fermi energy: -3.211326;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1156.41: CPU time  595.25

 eigenvalue-minimisations  :  4224
 total energy-change (2. order) :-0.3245768E-06  (-0.7174867E-06)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9565879 magnetization   -0.0000027

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34051.64859362
  -1/2 Hartree   DENC   =    -40942.20587514
  -V(xc)+E(xc)   XCENC  =       726.49276516
  PAW double counting   =      4092.12817814    -4130.44986471
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.78023537
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72658470 eV

  energy without entropy =     -471.72658470  energy(sigma->0) =     -471.72658470


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2080       2 -39.5438       3 -39.5439       4 -58.3175       5 -58.3211
       6 -58.3239       7 -58.3187       8 -58.3189       9 -58.3189      10 -58.3249
      11 -58.3907      12 -58.3553      13 -58.3269      14 -58.3187      15 -58.3283
      16 -58.5436      17 -58.7298      18 -58.3553      19 -58.3239      20 -58.3239
      21 -58.3617      22 -58.5436      23 -58.3907      24 -58.3212      25 -58.3267
      26 -58.3239      27 -58.3284      28 -58.3249      29 -58.3210      30 -58.3248
      31 -58.3282      32 -58.3238      33 -58.3265      34 -58.3238      35 -58.3906
      36 -58.5435      37 -58.3616      38 -58.3238      39 -58.3186      40 -58.3551
      41 -58.7297      42 -58.5435      43 -58.3282      44 -58.3188      45 -58.3268
      46 -58.3551      47 -58.3906      48 -58.3248      49 -58.3174      50 -58.3188
      51 -58.3186      52 -58.3238      53 -58.3210
 
 
 
 E-fermi :  -3.2113     XC(G=0):  -2.3505     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     -22.4243      1.00000
      2     -21.5996      1.00000
      3     -21.4804      1.00000
      4     -21.4714      1.00000
      5     -21.4394      1.00000
      6     -21.4389      1.00000
      7     -21.4283      1.00000
      8     -19.7049      1.00000
      9     -19.6510      1.00000
     10     -19.6289      1.00000
     11     -19.6174      1.00000
     12     -19.6128      1.00000
     13     -19.6112      1.00000
     14     -18.7882      1.00000
     15     -18.7528      1.00000
     16     -18.7346      1.00000
     17     -18.7252      1.00000
     18     -18.7172      1.00000
     19     -18.7130      1.00000
     20     -16.6353      1.00000
     21     -16.6084      1.00000
     22     -16.5853      1.00000
     23     -16.5826      1.00000
     24     -16.5538      1.00000
     25     -16.5533      1.00000
     26     -15.6132      1.00000
     27     -15.6009      1.00000
     28     -15.5978      1.00000
     29     -15.5645      1.00000
     30     -15.5630      1.00000
     31     -15.5616      1.00000
     32     -14.2589      1.00000
     33     -14.2504      1.00000
     34     -14.2414      1.00000
     35     -14.2360      1.00000
     36     -14.2223      1.00000
     37     -14.2194      1.00000
     38     -11.9055      1.00000
     39     -11.8797      1.00000
     40     -11.8685      1.00000
     41     -11.8665      1.00000
     42     -11.8466      1.00000
     43     -11.8461      1.00000
     44     -11.7707      1.00000
     45     -11.7696      1.00000
     46     -11.7345      1.00000
     47     -11.7286      1.00000
     48     -11.7264      1.00000
     49     -11.7212      1.00000
     50     -10.6714      1.00000
     51     -10.3878      1.00000
     52     -10.3835      1.00000
     53     -10.3770      1.00000
     54     -10.3685      1.00000
     55     -10.3563      1.00000
     56     -10.3537      1.00000
     57      -9.8998      1.00000
     58      -9.4479      1.00000
     59      -9.4046      1.00000
     60      -9.3616      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1416      1.00000
     64      -9.1250      1.00000
     65      -9.1214      1.00000
     66      -9.0865      1.00000
     67      -9.0719      1.00000
     68      -9.0716      1.00000
     69      -9.0701      1.00000
     70      -9.0677      1.00000
     71      -9.0645      1.00000
     72      -9.0410      1.00000
     73      -9.0301      1.00000
     74      -9.0271      1.00000
     75      -8.1375      1.00000
     76      -7.7329      1.00000
     77      -7.4714      1.00000
     78      -7.4667      1.00000
     79      -7.4561      1.00000
     80      -7.4361      1.00000
     81      -7.4248      1.00000
     82      -7.4091      1.00000
     83      -7.3118      1.00000
     84      -7.2696      1.00000
     85      -7.2573      1.00000
     86      -7.2487      1.00000
     87      -7.1573      1.00000
     88      -7.0465      1.00000
     89      -6.4471      1.00000
     90      -6.4154      1.00000
     91      -6.4003      1.00000
     92      -6.3634      1.00000
     93      -6.3535      1.00000
     94      -6.3405      1.00000
     95      -5.9628      1.00000
     96      -5.9586      1.00000
     97      -4.7974      1.00000
     98      -4.5410      1.00000
     99      -4.4815      1.00000
    100      -4.4725      1.00000
    101      -4.3832      1.00000
    102      -4.3830      1.00000
    103      -4.2672      1.00000
    104      -4.1853      1.00000
    105      -3.7353      1.00000
    106      -3.4709      1.00000
    107      -1.8607      0.00000
    108      -1.6750      0.00000
    109      -1.6265      0.00000
    110      -1.5942      0.00000
    111      -1.5792      0.00000
    112      -1.5783      0.00000
    113      -0.4288      0.00000
    114       0.1402      0.00000
    115       0.1889      0.00000
    116       0.2517      0.00000
    117       0.2647      0.00000
    118       0.2675      0.00000
    119       0.4709      0.00000
    120       0.5439      0.00000
    121       1.2405      0.00000
    122       1.2865      0.00000
    123       1.5189      0.00000
    124       1.7687      0.00000
    125       1.7714      0.00000
    126       1.7717      0.00000
    127       1.8000      0.00000
    128       1.8268      0.00000
    129       1.9537      0.00000
    130       1.9640      0.00000
    131       1.9695      0.00000
    132       1.9844      0.00000
    133       1.9915      0.00000
    134       2.0711      0.00000
    135       2.2415      0.00000
    136       2.3369      0.00000
    137       2.6007      0.00000
    138       2.6023      0.00000
    139       2.6278      0.00000
    140       2.6943      0.00000
    141       2.9334      0.00000
    142       3.0441      0.00000
    143       3.0638      0.00000
    144       3.0968      0.00000
    145       3.0971      0.00000
    146       3.1021      0.00000
    147       3.1033      0.00000
    148       3.2625      0.00000
    149       3.4435      0.00000
    150       3.4970      0.00000
    151       3.8130      0.00000
    152       3.9367      0.00000
    153       3.9388      0.00000
    154       3.9415      0.00000
    155       3.9495      0.00000
    156       3.9922      0.00000
    157       4.1877      0.00000
    158       4.2600      0.00000
    159       4.2762      0.00000
    160       4.2820      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3876      1.00000
      2     -21.8285      1.00000
      3     -21.6362      1.00000
      4     -21.6092      1.00000
      5     -21.2728      1.00000
      6     -21.2342      1.00000
      7     -21.0557      1.00000
      8     -20.1661      1.00000
      9     -20.1288      1.00000
     10     -19.6072      1.00000
     11     -19.5963      1.00000
     12     -19.4165      1.00000
     13     -19.0884      1.00000
     14     -19.0586      1.00000
     15     -19.0486      1.00000
     16     -19.0410      1.00000
     17     -18.3600      1.00000
     18     -18.3514      1.00000
     19     -18.0192      1.00000
     20     -17.0691      1.00000
     21     -17.0311      1.00000
     22     -16.9451      1.00000
     23     -16.9390      1.00000
     24     -16.4682      1.00000
     25     -16.4624      1.00000
     26     -15.6129      1.00000
     27     -15.6065      1.00000
     28     -15.2526      1.00000
     29     -15.2440      1.00000
     30     -15.1848      1.00000
     31     -15.0979      1.00000
     32     -15.0716      1.00000
     33     -14.6982      1.00000
     34     -14.6959      1.00000
     35     -13.7269      1.00000
     36     -13.7235      1.00000
     37     -13.2368      1.00000
     38     -12.6151      1.00000
     39     -12.5854      1.00000
     40     -12.4546      1.00000
     41     -12.4500      1.00000
     42     -12.1106      1.00000
     43     -12.1051      1.00000
     44     -11.7161      1.00000
     45     -11.6855      1.00000
     46     -11.2355      1.00000
     47     -11.2272      1.00000
     48     -11.0186      1.00000
     49     -11.0103      1.00000
     50     -10.9261      1.00000
     51     -10.9048      1.00000
     52     -10.6259      1.00000
     53     -10.1565      1.00000
     54     -10.1504      1.00000
     55     -10.0935      1.00000
     56      -9.9958      1.00000
     57      -9.7024      1.00000
     58      -9.6962      1.00000
     59      -9.6552      1.00000
     60      -9.5917      1.00000
     61      -9.5767      1.00000
     62      -9.5590      1.00000
     63      -9.3096      1.00000
     64      -9.3039      1.00000
     65      -9.2730      1.00000
     66      -9.2357      1.00000
     67      -9.1354      1.00000
     68      -9.1186      1.00000
     69      -9.1107      1.00000
     70      -8.9389      1.00000
     71      -8.8717      1.00000
     72      -8.6058      1.00000
     73      -8.5920      1.00000
     74      -8.2394      1.00000
     75      -8.1033      1.00000
     76      -7.9090      1.00000
     77      -7.8640      1.00000
     78      -7.7740      1.00000
     79      -7.7588      1.00000
     80      -7.6963      1.00000
     81      -7.5539      1.00000
     82      -7.3413      1.00000
     83      -7.3247      1.00000
     84      -7.2052      1.00000
     85      -7.1219      1.00000
     86      -7.0330      1.00000
     87      -7.0131      1.00000
     88      -6.7045      1.00000
     89      -6.6786      1.00000
     90      -6.6417      1.00000
     91      -6.5975      1.00000
     92      -6.1193      1.00000
     93      -6.0625      1.00000
     94      -6.0322      1.00000
     95      -6.0112      1.00000
     96      -5.7836      1.00000
     97      -4.9695      1.00000
     98      -4.8312      1.00000
     99      -4.7471      1.00000
    100      -4.6801      1.00000
    101      -4.4633      1.00000
    102      -4.2003      1.00000
    103      -4.1707      1.00000
    104      -4.1285      1.00000
    105      -3.7259      1.00000
    106      -3.4808      1.00000
    107      -1.8713      0.00000
    108      -1.8128      0.00000
    109      -1.5251      0.00000
    110      -1.3806      0.00000
    111      -1.3247      0.00000
    112      -1.2913      0.00000
    113      -0.7219      0.00000
    114      -0.3784      0.00000
    115      -0.2534      0.00000
    116       0.0325      0.00000
    117       0.5506      0.00000
    118       0.6947      0.00000
    119       0.7418      0.00000
    120       1.0431      0.00000
    121       1.0953      0.00000
    122       1.1448      0.00000
    123       1.2221      0.00000
    124       1.3737      0.00000
    125       1.5147      0.00000
    126       1.5727      0.00000
    127       1.7120      0.00000
    128       1.8121      0.00000
    129       1.8533      0.00000
    130       1.8769      0.00000
    131       2.0902      0.00000
    132       2.1801      0.00000
    133       2.2358      0.00000
    134       2.2984      0.00000
    135       2.5055      0.00000
    136       2.5802      0.00000
    137       2.6365      0.00000
    138       2.7703      0.00000
    139       2.7877      0.00000
    140       2.8206      0.00000
    141       2.8597      0.00000
    142       2.8907      0.00000
    143       2.9428      0.00000
    144       3.0708      0.00000
    145       3.1464      0.00000
    146       3.3096      0.00000
    147       3.3816      0.00000
    148       3.4278      0.00000
    149       3.4566      0.00000
    150       3.6047      0.00000
    151       3.6410      0.00000
    152       3.6571      0.00000
    153       3.7023      0.00000
    154       3.8995      0.00000
    155       3.9561      0.00000
    156       4.0098      0.00000
    157       4.0660      0.00000
    158       4.2229      0.00000
    159       4.2406      0.00000
    160       4.2726      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0763      1.00000
      3     -21.7145      1.00000
      4     -21.6836      1.00000
      5     -20.9775      1.00000
      6     -20.9379      1.00000
      7     -20.6101      1.00000
      8     -20.5742      1.00000
      9     -20.5682      1.00000
     10     -20.0318      1.00000
     11     -19.5020      1.00000
     12     -19.4904      1.00000
     13     -19.3058      1.00000
     14     -19.3004      1.00000
     15     -18.4469      1.00000
     16     -18.4110      1.00000
     17     -17.9220      1.00000
     18     -17.9120      1.00000
     19     -17.7612      1.00000
     20     -17.7262      1.00000
     21     -17.4362      1.00000
     22     -17.4277      1.00000
     23     -17.3418      1.00000
     24     -16.4625      1.00000
     25     -16.4611      1.00000
     26     -15.9665      1.00000
     27     -15.4130      1.00000
     28     -15.4084      1.00000
     29     -15.0955      1.00000
     30     -15.0929      1.00000
     31     -14.8560      1.00000
     32     -14.8485      1.00000
     33     -14.2907      1.00000
     34     -14.2585      1.00000
     35     -13.4374      1.00000
     36     -13.4054      1.00000
     37     -13.1782      1.00000
     38     -13.1737      1.00000
     39     -12.9810      1.00000
     40     -12.9761      1.00000
     41     -12.6144      1.00000
     42     -12.6096      1.00000
     43     -12.1992      1.00000
     44     -11.5755      1.00000
     45     -11.5420      1.00000
     46     -11.3097      1.00000
     47     -11.2871      1.00000
     48     -11.1437      1.00000
     49     -10.6752      1.00000
     50     -10.6617      1.00000
     51     -10.5486      1.00000
     52     -10.3255      1.00000
     53     -10.3175      1.00000
     54     -10.1692      1.00000
     55     -10.1166      1.00000
     56     -10.1121      1.00000
     57      -9.7962      1.00000
     58      -9.7671      1.00000
     59      -9.7510      1.00000
     60      -9.7011      1.00000
     61      -9.6990      1.00000
     62      -9.6604      1.00000
     63      -9.3575      1.00000
     64      -9.3507      1.00000
     65      -9.3150      1.00000
     66      -9.0393      1.00000
     67      -8.9647      1.00000
     68      -8.9499      1.00000
     69      -8.7979      1.00000
     70      -8.5936      1.00000
     71      -8.5581      1.00000
     72      -8.3967      1.00000
     73      -8.3644      1.00000
     74      -8.3257      1.00000
     75      -8.3082      1.00000
     76      -8.2611      1.00000
     77      -8.2581      1.00000
     78      -8.2367      1.00000
     79      -7.9087      1.00000
     80      -7.6524      1.00000
     81      -7.5434      1.00000
     82      -7.3882      1.00000
     83      -7.3515      1.00000
     84      -7.2340      1.00000
     85      -7.0983      1.00000
     86      -7.0378      1.00000
     87      -6.9348      1.00000
     88      -6.8469      1.00000
     89      -6.6135      1.00000
     90      -6.5622      1.00000
     91      -6.2709      1.00000
     92      -6.0429      1.00000
     93      -5.9519      1.00000
     94      -5.6629      1.00000
     95      -5.6223      1.00000
     96      -5.4613      1.00000
     97      -5.3201      1.00000
     98      -5.2794      1.00000
     99      -5.2150      1.00000
    100      -5.1939      1.00000
    101      -4.5005      1.00000
    102      -4.2037      1.00000
    103      -4.0561      1.00000
    104      -3.9897      1.00000
    105      -3.6917      1.00000
    106      -3.4909      1.00000
    107      -1.9480      0.00000
    108      -1.9005      0.00000
    109      -1.3379      0.00000
    110      -1.0879      0.00000
    111      -1.0614      0.00000
    112      -0.8031      0.00000
    113      -0.6808      0.00000
    114      -0.6501      0.00000
    115      -0.6108      0.00000
    116      -0.1117      0.00000
    117       0.2113      0.00000
    118       0.3242      0.00000
    119       0.6903      0.00000
    120       0.8812      0.00000
    121       1.1211      0.00000
    122       1.1945      0.00000
    123       1.3221      0.00000
    124       1.4144      0.00000
    125       1.5499      0.00000
    126       1.5714      0.00000
    127       1.6735      0.00000
    128       1.8041      0.00000
    129       1.8701      0.00000
    130       2.0478      0.00000
    131       2.1208      0.00000
    132       2.3249      0.00000
    133       2.3544      0.00000
    134       2.3909      0.00000
    135       2.5345      0.00000
    136       2.6259      0.00000
    137       2.7232      0.00000
    138       2.7574      0.00000
    139       2.8220      0.00000
    140       2.8735      0.00000
    141       3.0359      0.00000
    142       3.0497      0.00000
    143       3.1552      0.00000
    144       3.2578      0.00000
    145       3.3539      0.00000
    146       3.4093      0.00000
    147       3.4268      0.00000
    148       3.5555      0.00000
    149       3.5720      0.00000
    150       3.5882      0.00000
    151       3.6520      0.00000
    152       3.6689      0.00000
    153       3.7746      0.00000
    154       3.7934      0.00000
    155       3.8046      0.00000
    156       3.8896      0.00000
    157       3.9150      0.00000
    158       3.9937      0.00000
    159       4.2062      0.00000
    160       4.2213      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3155      1.00000
      2     -21.9607      1.00000
      3     -21.8924      1.00000
      4     -21.3789      1.00000
      5     -21.3504      1.00000
      6     -20.8383      1.00000
      7     -20.7736      1.00000
      8     -20.6232      1.00000
      9     -20.0760      1.00000
     10     -20.0706      1.00000
     11     -19.7157      1.00000
     12     -19.6918      1.00000
     13     -18.9954      1.00000
     14     -18.9898      1.00000
     15     -18.6390      1.00000
     16     -18.6235      1.00000
     17     -18.4624      1.00000
     18     -17.6752      1.00000
     19     -17.6258      1.00000
     20     -17.6227      1.00000
     21     -17.5811      1.00000
     22     -17.1259      1.00000
     23     -17.1049      1.00000
     24     -16.9609      1.00000
     25     -16.0010      1.00000
     26     -15.9282      1.00000
     27     -15.5854      1.00000
     28     -15.5853      1.00000
     29     -15.2876      1.00000
     30     -14.8636      1.00000
     31     -14.8368      1.00000
     32     -14.5802      1.00000
     33     -14.5387      1.00000
     34     -14.1678      1.00000
     35     -14.1540      1.00000
     36     -13.1485      1.00000
     37     -13.1006      1.00000
     38     -13.0310      1.00000
     39     -13.0217      1.00000
     40     -12.7104      1.00000
     41     -12.7065      1.00000
     42     -12.3403      1.00000
     43     -12.3091      1.00000
     44     -11.6351      1.00000
     45     -11.6222      1.00000
     46     -11.5716      1.00000
     47     -10.9488      1.00000
     48     -10.9159      1.00000
     49     -10.6307      1.00000
     50     -10.6262      1.00000
     51     -10.5461      1.00000
     52     -10.4989      1.00000
     53     -10.4981      1.00000
     54     -10.4414      1.00000
     55     -10.3630      1.00000
     56     -10.0970      1.00000
     57      -9.9023      1.00000
     58      -9.6113      1.00000
     59      -9.5594      1.00000
     60      -9.4519      1.00000
     61      -9.4120      1.00000
     62      -9.4046      1.00000
     63      -9.3797      1.00000
     64      -9.3790      1.00000
     65      -9.2855      1.00000
     66      -9.1682      1.00000
     67      -9.1434      1.00000
     68      -9.1151      1.00000
     69      -8.8638      1.00000
     70      -8.8569      1.00000
     71      -8.8149      1.00000
     72      -8.5963      1.00000
     73      -8.4796      1.00000
     74      -8.1992      1.00000
     75      -8.1637      1.00000
     76      -8.0131      1.00000
     77      -7.9572      1.00000
     78      -7.8534      1.00000
     79      -7.8434      1.00000
     80      -7.7081      1.00000
     81      -7.6989      1.00000
     82      -7.6249      1.00000
     83      -7.4455      1.00000
     84      -7.3059      1.00000
     85      -7.2483      1.00000
     86      -6.9074      1.00000
     87      -6.8938      1.00000
     88      -6.5892      1.00000
     89      -6.5508      1.00000
     90      -6.4105      1.00000
     91      -6.2532      1.00000
     92      -6.2323      1.00000
     93      -6.2055      1.00000
     94      -6.0233      1.00000
     95      -5.5496      1.00000
     96      -5.4890      1.00000
     97      -5.3495      1.00000
     98      -5.2210      1.00000
     99      -4.9793      1.00000
    100      -4.7292      1.00000
    101      -4.6772      1.00000
    102      -4.3843      1.00000
    103      -4.1991      1.00000
    104      -3.8651      1.00000
    105      -3.5467      1.00000
    106      -3.5022      1.00000
    107      -2.2601      0.00000
    108      -1.4551      0.00000
    109      -1.3749      0.00000
    110      -1.2452      0.00000
    111      -1.0997      0.00000
    112      -0.9482      0.00000
    113      -0.8669      0.00000
    114      -0.8069      0.00000
    115      -0.1427      0.00000
    116       0.1061      0.00000
    117       0.2379      0.00000
    118       0.3731      0.00000
    119       0.6481      0.00000
    120       0.8310      0.00000
    121       0.9320      0.00000
    122       1.0575      0.00000
    123       1.2300      0.00000
    124       1.4385      0.00000
    125       1.5451      0.00000
    126       1.7614      0.00000
    127       1.7863      0.00000
    128       1.8662      0.00000
    129       1.9627      0.00000
    130       2.0380      0.00000
    131       2.1692      0.00000
    132       2.1878      0.00000
    133       2.4038      0.00000
    134       2.4593      0.00000
    135       2.5283      0.00000
    136       2.5997      0.00000
    137       2.6343      0.00000
    138       2.6918      0.00000
    139       2.7644      0.00000
    140       2.8266      0.00000
    141       2.9432      0.00000
    142       3.0713      0.00000
    143       3.1925      0.00000
    144       3.2074      0.00000
    145       3.2551      0.00000
    146       3.3095      0.00000
    147       3.3191      0.00000
    148       3.4614      0.00000
    149       3.4921      0.00000
    150       3.6931      0.00000
    151       3.7065      0.00000
    152       3.7245      0.00000
    153       3.8534      0.00000
    154       3.9074      0.00000
    155       3.9317      0.00000
    156       3.9727      0.00000
    157       4.0076      0.00000
    158       4.0274      0.00000
    159       4.0403      0.00000
    160       4.0553      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1161      1.00000
      3     -21.9553      1.00000
      4     -21.4028      1.00000
      5     -21.0480      1.00000
      6     -21.0130      1.00000
      7     -20.4990      1.00000
      8     -20.4604      1.00000
      9     -20.2939      1.00000
     10     -20.2749      1.00000
     11     -19.9563      1.00000
     12     -19.8908      1.00000
     13     -18.8813      1.00000
     14     -18.8129      1.00000
     15     -18.3521      1.00000
     16     -18.3069      1.00000
     17     -18.1527      1.00000
     18     -18.1355      1.00000
     19     -17.8264      1.00000
     20     -17.7895      1.00000
     21     -17.2524      1.00000
     22     -17.2410      1.00000
     23     -17.1660      1.00000
     24     -17.1324      1.00000
     25     -16.1092      1.00000
     26     -15.8843      1.00000
     27     -15.8695      1.00000
     28     -15.8343      1.00000
     29     -15.2378      1.00000
     30     -14.5544      1.00000
     31     -14.5272      1.00000
     32     -14.2816      1.00000
     33     -13.9651      1.00000
     34     -13.9567      1.00000
     35     -13.8219      1.00000
     36     -13.8051      1.00000
     37     -13.6149      1.00000
     38     -13.5716      1.00000
     39     -13.3688      1.00000
     40     -12.6340      1.00000
     41     -12.1813      1.00000
     42     -12.1339      1.00000
     43     -12.0715      1.00000
     44     -12.0189      1.00000
     45     -11.6713      1.00000
     46     -11.6580      1.00000
     47     -11.1392      1.00000
     48     -11.1193      1.00000
     49     -10.7943      1.00000
     50     -10.7303      1.00000
     51     -10.5228      1.00000
     52     -10.2114      1.00000
     53     -10.2054      1.00000
     54     -10.1634      1.00000
     55     -10.0190      1.00000
     56     -10.0038      1.00000
     57      -9.9904      1.00000
     58      -9.8031      1.00000
     59      -9.7990      1.00000
     60      -9.7639      1.00000
     61      -9.7592      1.00000
     62      -9.4542      1.00000
     63      -9.4152      1.00000
     64      -9.0784      1.00000
     65      -9.0746      1.00000
     66      -9.0423      1.00000
     67      -8.9562      1.00000
     68      -8.8762      1.00000
     69      -8.7139      1.00000
     70      -8.7017      1.00000
     71      -8.5658      1.00000
     72      -8.5434      1.00000
     73      -8.4987      1.00000
     74      -8.4649      1.00000
     75      -8.4546      1.00000
     76      -8.2586      1.00000
     77      -8.1253      1.00000
     78      -8.0422      1.00000
     79      -7.9176      1.00000
     80      -7.8621      1.00000
     81      -7.6166      1.00000
     82      -7.5487      1.00000
     83      -7.4960      1.00000
     84      -7.2627      1.00000
     85      -6.9976      1.00000
     86      -6.9266      1.00000
     87      -6.8852      1.00000
     88      -6.5339      1.00000
     89      -6.4879      1.00000
     90      -6.4616      1.00000
     91      -6.4100      1.00000
     92      -5.9829      1.00000
     93      -5.8974      1.00000
     94      -5.7853      1.00000
     95      -5.7594      1.00000
     96      -5.4304      1.00000
     97      -5.3290      1.00000
     98      -5.2312      1.00000
     99      -5.2185      1.00000
    100      -5.1884      1.00000
    101      -4.6895      1.00000
    102      -4.4169      1.00000
    103      -4.2054      1.00000
    104      -3.8274      1.00000
    105      -3.5214      1.00000
    106      -3.2757      1.00000
    107      -2.5343      0.00000
    108      -1.4568      0.00000
    109      -1.2704      0.00000
    110      -1.2059      0.00000
    111      -1.1754      0.00000
    112      -0.7217      0.00000
    113      -0.5072      0.00000
    114      -0.4154      0.00000
    115      -0.3426      0.00000
    116      -0.1496      0.00000
    117      -0.0068      0.00000
    118       0.1890      0.00000
    119       0.5565      0.00000
    120       0.6082      0.00000
    121       0.7932      0.00000
    122       0.9004      0.00000
    123       1.1274      0.00000
    124       1.4853      0.00000
    125       1.6279      0.00000
    126       1.8408      0.00000
    127       1.9206      0.00000
    128       2.0989      0.00000
    129       2.1088      0.00000
    130       2.1499      0.00000
    131       2.1869      0.00000
    132       2.2749      0.00000
    133       2.3343      0.00000
    134       2.4685      0.00000
    135       2.5766      0.00000
    136       2.6504      0.00000
    137       2.8477      0.00000
    138       2.8650      0.00000
    139       2.8872      0.00000
    140       2.9974      0.00000
    141       3.0131      0.00000
    142       3.1352      0.00000
    143       3.1794      0.00000
    144       3.2217      0.00000
    145       3.2659      0.00000
    146       3.2795      0.00000
    147       3.2963      0.00000
    148       3.3413      0.00000
    149       3.4186      0.00000
    150       3.4430      0.00000
    151       3.5457      0.00000
    152       3.6190      0.00000
    153       3.7063      0.00000
    154       3.7292      0.00000
    155       3.7655      0.00000
    156       3.8917      0.00000
    157       3.9266      0.00000
    158       3.9958      0.00000
    159       4.1215      0.00000
    160       4.2139      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3153      1.00000
      2     -21.9624      1.00000
      3     -21.8908      1.00000
      4     -21.3828      1.00000
      5     -21.3472      1.00000
      6     -20.8379      1.00000
      7     -20.7718      1.00000
      8     -20.6235      1.00000
      9     -20.0883      1.00000
     10     -20.0602      1.00000
     11     -19.7171      1.00000
     12     -19.6889      1.00000
     13     -19.0087      1.00000
     14     -18.9783      1.00000
     15     -18.6492      1.00000
     16     -18.6171      1.00000
     17     -18.4597      1.00000
     18     -17.6600      1.00000
     19     -17.6458      1.00000
     20     -17.6103      1.00000
     21     -17.5773      1.00000
     22     -17.1371      1.00000
     23     -17.0977      1.00000
     24     -16.9669      1.00000
     25     -16.0093      1.00000
     26     -15.9223      1.00000
     27     -15.5980      1.00000
     28     -15.5751      1.00000
     29     -15.2798      1.00000
     30     -14.8763      1.00000
     31     -14.8302      1.00000
     32     -14.5749      1.00000
     33     -14.5367      1.00000
     34     -14.1650      1.00000
     35     -14.1601      1.00000
     36     -13.1628      1.00000
     37     -13.0954      1.00000
     38     -13.0228      1.00000
     39     -13.0189      1.00000
     40     -12.7178      1.00000
     41     -12.6950      1.00000
     42     -12.3407      1.00000
     43     -12.3133      1.00000
     44     -11.6332      1.00000
     45     -11.6237      1.00000
     46     -11.5701      1.00000
     47     -10.9417      1.00000
     48     -10.9232      1.00000
     49     -10.6654      1.00000
     50     -10.5909      1.00000
     51     -10.5725      1.00000
     52     -10.5026      1.00000
     53     -10.4883      1.00000
     54     -10.4405      1.00000
     55     -10.3556      1.00000
     56     -10.1012      1.00000
     57      -9.8965      1.00000
     58      -9.6083      1.00000
     59      -9.5507      1.00000
     60      -9.4521      1.00000
     61      -9.4210      1.00000
     62      -9.4087      1.00000
     63      -9.3801      1.00000
     64      -9.3722      1.00000
     65      -9.2663      1.00000
     66      -9.1671      1.00000
     67      -9.1435      1.00000
     68      -9.1169      1.00000
     69      -8.8677      1.00000
     70      -8.8614      1.00000
     71      -8.8016      1.00000
     72      -8.5950      1.00000
     73      -8.5246      1.00000
     74      -8.1951      1.00000
     75      -8.1720      1.00000
     76      -8.0786      1.00000
     77      -7.8590      1.00000
     78      -7.8375      1.00000
     79      -7.8208      1.00000
     80      -7.7122      1.00000
     81      -7.6977      1.00000
     82      -7.6016      1.00000
     83      -7.5245      1.00000
     84      -7.3519      1.00000
     85      -7.1660      1.00000
     86      -6.9077      1.00000
     87      -6.8977      1.00000
     88      -6.5938      1.00000
     89      -6.5509      1.00000
     90      -6.4073      1.00000
     91      -6.3024      1.00000
     92      -6.2481      1.00000
     93      -6.2041      1.00000
     94      -6.0033      1.00000
     95      -5.5309      1.00000
     96      -5.4653      1.00000
     97      -5.3134      1.00000
     98      -5.2099      1.00000
     99      -5.0453      1.00000
    100      -4.7224      1.00000
    101      -4.6706      1.00000
    102      -4.4190      1.00000
    103      -4.1916      1.00000
    104      -3.8367      1.00000
    105      -3.6317      1.00000
    106      -3.4140      1.00000
    107      -2.2942      0.00000
    108      -1.5089      0.00000
    109      -1.2730      0.00000
    110      -1.2663      0.00000
    111      -1.0366      0.00000
    112      -0.9812      0.00000
    113      -0.8712      0.00000
    114      -0.8032      0.00000
    115      -0.2637      0.00000
    116       0.2001      0.00000
    117       0.2354      0.00000
    118       0.3551      0.00000
    119       0.6857      0.00000
    120       0.8895      0.00000
    121       0.9192      0.00000
    122       1.0364      0.00000
    123       1.1607      0.00000
    124       1.5031      0.00000
    125       1.5536      0.00000
    126       1.7006      0.00000
    127       1.7747      0.00000
    128       1.8275      0.00000
    129       1.9612      0.00000
    130       1.9786      0.00000
    131       2.1783      0.00000
    132       2.2530      0.00000
    133       2.4072      0.00000
    134       2.4644      0.00000
    135       2.5290      0.00000
    136       2.5948      0.00000
    137       2.6135      0.00000
    138       2.6952      0.00000
    139       2.7449      0.00000
    140       2.8527      0.00000
    141       3.0300      0.00000
    142       3.0704      0.00000
    143       3.1848      0.00000
    144       3.2389      0.00000
    145       3.2574      0.00000
    146       3.2888      0.00000
    147       3.3382      0.00000
    148       3.4456      0.00000
    149       3.5147      0.00000
    150       3.6885      0.00000
    151       3.7114      0.00000
    152       3.7466      0.00000
    153       3.8253      0.00000
    154       3.8843      0.00000
    155       3.9209      0.00000
    156       3.9705      0.00000
    157       4.0012      0.00000
    158       4.0360      0.00000
    159       4.0386      0.00000
    160       4.0849      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3875      1.00000
      2     -21.8287      1.00000
      3     -21.6395      1.00000
      4     -21.6054      1.00000
      5     -21.2770      1.00000
      6     -21.2308      1.00000
      7     -21.0549      1.00000
      8     -20.1696      1.00000
      9     -20.1244      1.00000
     10     -19.6160      1.00000
     11     -19.5905      1.00000
     12     -19.4141      1.00000
     13     -19.0931      1.00000
     14     -19.0554      1.00000
     15     -19.0511      1.00000
     16     -19.0382      1.00000
     17     -18.3663      1.00000
     18     -18.3470      1.00000
     19     -18.0153      1.00000
     20     -17.0710      1.00000
     21     -17.0230      1.00000
     22     -16.9499      1.00000
     23     -16.9363      1.00000
     24     -16.4761      1.00000
     25     -16.4642      1.00000
     26     -15.6093      1.00000
     27     -15.6089      1.00000
     28     -15.2492      1.00000
     29     -15.2373      1.00000
     30     -15.1901      1.00000
     31     -15.1005      1.00000
     32     -15.0682      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7256      1.00000
     36     -13.7255      1.00000
     37     -13.2343      1.00000
     38     -12.6242      1.00000
     39     -12.5810      1.00000
     40     -12.4536      1.00000
     41     -12.4483      1.00000
     42     -12.1058      1.00000
     43     -12.1011      1.00000
     44     -11.7228      1.00000
     45     -11.6848      1.00000
     46     -11.2465      1.00000
     47     -11.2267      1.00000
     48     -11.0167      1.00000
     49     -11.0052      1.00000
     50     -10.9283      1.00000
     51     -10.9001      1.00000
     52     -10.6321      1.00000
     53     -10.1717      1.00000
     54     -10.1493      1.00000
     55     -10.0853      1.00000
     56      -9.9880      1.00000
     57      -9.6960      1.00000
     58      -9.6888      1.00000
     59      -9.6696      1.00000
     60      -9.5942      1.00000
     61      -9.5702      1.00000
     62      -9.5523      1.00000
     63      -9.3120      1.00000
     64      -9.2997      1.00000
     65      -9.2812      1.00000
     66      -9.2464      1.00000
     67      -9.1212      1.00000
     68      -9.1121      1.00000
     69      -9.1106      1.00000
     70      -8.9382      1.00000
     71      -8.8787      1.00000
     72      -8.6073      1.00000
     73      -8.5889      1.00000
     74      -8.2722      1.00000
     75      -8.1012      1.00000
     76      -7.8712      1.00000
     77      -7.8430      1.00000
     78      -7.7907      1.00000
     79      -7.7657      1.00000
     80      -7.7563      1.00000
     81      -7.4395      1.00000
     82      -7.3350      1.00000
     83      -7.3238      1.00000
     84      -7.2656      1.00000
     85      -7.1669      1.00000
     86      -7.0190      1.00000
     87      -6.9859      1.00000
     88      -6.7174      1.00000
     89      -6.6927      1.00000
     90      -6.6312      1.00000
     91      -6.5901      1.00000
     92      -6.1178      1.00000
     93      -6.0604      1.00000
     94      -6.0453      1.00000
     95      -6.0313      1.00000
     96      -5.7476      1.00000
     97      -4.9697      1.00000
     98      -4.8385      1.00000
     99      -4.7092      1.00000
    100      -4.6737      1.00000
    101      -4.4794      1.00000
    102      -4.3467      1.00000
    103      -4.1128      1.00000
    104      -4.0555      1.00000
    105      -3.7510      1.00000
    106      -3.4594      1.00000
    107      -1.9501      0.00000
    108      -1.7741      0.00000
    109      -1.4826      0.00000
    110      -1.3584      0.00000
    111      -1.3398      0.00000
    112      -1.2955      0.00000
    113      -0.6811      0.00000
    114      -0.4731      0.00000
    115      -0.2389      0.00000
    116       0.0469      0.00000
    117       0.5824      0.00000
    118       0.6889      0.00000
    119       0.7644      0.00000
    120       1.0151      0.00000
    121       1.0934      0.00000
    122       1.1710      0.00000
    123       1.2459      0.00000
    124       1.3324      0.00000
    125       1.4293      0.00000
    126       1.5859      0.00000
    127       1.7606      0.00000
    128       1.8383      0.00000
    129       1.8554      0.00000
    130       1.8828      0.00000
    131       2.0398      0.00000
    132       2.2121      0.00000
    133       2.2255      0.00000
    134       2.2779      0.00000
    135       2.4742      0.00000
    136       2.6063      0.00000
    137       2.6390      0.00000
    138       2.7432      0.00000
    139       2.7833      0.00000
    140       2.8305      0.00000
    141       2.8403      0.00000
    142       2.8716      0.00000
    143       2.9475      0.00000
    144       3.0746      0.00000
    145       3.3064      0.00000
    146       3.3536      0.00000
    147       3.3992      0.00000
    148       3.4147      0.00000
    149       3.4153      0.00000
    150       3.5854      0.00000
    151       3.6444      0.00000
    152       3.6625      0.00000
    153       3.7216      0.00000
    154       3.8864      0.00000
    155       3.9196      0.00000
    156       3.9508      0.00000
    157       4.1081      0.00000
    158       4.1969      0.00000
    159       4.2381      0.00000
    160       4.2771      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2071      1.00000
      2     -22.1175      1.00000
      3     -21.9550      1.00000
      4     -21.4031      1.00000
      5     -21.0442      1.00000
      6     -21.0165      1.00000
      7     -20.4943      1.00000
      8     -20.4651      1.00000
      9     -20.2845      1.00000
     10     -20.2827      1.00000
     11     -19.9557      1.00000
     12     -19.8931      1.00000
     13     -18.8827      1.00000
     14     -18.8159      1.00000
     15     -18.3362      1.00000
     16     -18.3175      1.00000
     17     -18.1485      1.00000
     18     -18.1412      1.00000
     19     -17.8146      1.00000
     20     -17.7969      1.00000
     21     -17.2584      1.00000
     22     -17.2392      1.00000
     23     -17.1590      1.00000
     24     -17.1364      1.00000
     25     -16.1149      1.00000
     26     -15.8799      1.00000
     27     -15.8692      1.00000
     28     -15.8421      1.00000
     29     -15.2305      1.00000
     30     -14.5514      1.00000
     31     -14.5336      1.00000
     32     -14.2757      1.00000
     33     -13.9741      1.00000
     34     -13.9505      1.00000
     35     -13.8255      1.00000
     36     -13.8030      1.00000
     37     -13.6042      1.00000
     38     -13.5794      1.00000
     39     -13.3686      1.00000
     40     -12.6375      1.00000
     41     -12.1697      1.00000
     42     -12.1437      1.00000
     43     -12.0682      1.00000
     44     -12.0216      1.00000
     45     -11.6640      1.00000
     46     -11.6596      1.00000
     47     -11.1382      1.00000
     48     -11.1278      1.00000
     49     -10.7921      1.00000
     50     -10.7364      1.00000
     51     -10.5298      1.00000
     52     -10.2074      1.00000
     53     -10.2016      1.00000
     54     -10.1690      1.00000
     55     -10.0214      1.00000
     56      -9.9931      1.00000
     57      -9.9898      1.00000
     58      -9.8050      1.00000
     59      -9.7956      1.00000
     60      -9.7665      1.00000
     61      -9.7588      1.00000
     62      -9.4574      1.00000
     63      -9.4155      1.00000
     64      -9.0843      1.00000
     65      -9.0459      1.00000
     66      -9.0249      1.00000
     67      -8.9712      1.00000
     68      -8.8963      1.00000
     69      -8.7078      1.00000
     70      -8.6990      1.00000
     71      -8.5629      1.00000
     72      -8.5523      1.00000
     73      -8.4789      1.00000
     74      -8.4608      1.00000
     75      -8.4569      1.00000
     76      -8.3046      1.00000
     77      -8.0930      1.00000
     78      -8.0897      1.00000
     79      -7.9276      1.00000
     80      -7.8335      1.00000
     81      -7.6004      1.00000
     82      -7.5400      1.00000
     83      -7.4532      1.00000
     84      -7.3043      1.00000
     85      -6.9941      1.00000
     86      -6.9208      1.00000
     87      -6.8825      1.00000
     88      -6.5311      1.00000
     89      -6.5164      1.00000
     90      -6.4839      1.00000
     91      -6.4214      1.00000
     92      -5.9257      1.00000
     93      -5.9045      1.00000
     94      -5.7891      1.00000
     95      -5.7748      1.00000
     96      -5.3683      1.00000
     97      -5.3617      1.00000
     98      -5.2203      1.00000
     99      -5.2162      1.00000
    100      -5.1994      1.00000
    101      -4.7187      1.00000
    102      -4.4362      1.00000
    103      -4.1879      1.00000
    104      -3.8135      1.00000
    105      -3.5587      1.00000
    106      -3.2243      1.00000
    107      -2.5637      0.00000
    108      -1.4618      0.00000
    109      -1.2705      0.00000
    110      -1.1886      0.00000
    111      -1.1868      0.00000
    112      -0.6472      0.00000
    113      -0.5559      0.00000
    114      -0.4179      0.00000
    115      -0.3512      0.00000
    116      -0.0814      0.00000
    117      -0.0676      0.00000
    118       0.1229      0.00000
    119       0.5888      0.00000
    120       0.6223      0.00000
    121       0.8496      0.00000
    122       0.9813      0.00000
    123       0.9980      0.00000
    124       1.4869      0.00000
    125       1.6761      0.00000
    126       1.7567      0.00000
    127       1.8498      0.00000
    128       2.1032      0.00000
    129       2.1456      0.00000
    130       2.1879      0.00000
    131       2.2057      0.00000
    132       2.2514      0.00000
    133       2.3484      0.00000
    134       2.4902      0.00000
    135       2.5104      0.00000
    136       2.6563      0.00000
    137       2.8488      0.00000
    138       2.8561      0.00000
    139       2.9469      0.00000
    140       2.9850      0.00000
    141       3.0256      0.00000
    142       3.1313      0.00000
    143       3.1929      0.00000
    144       3.2356      0.00000
    145       3.2387      0.00000
    146       3.2741      0.00000
    147       3.3003      0.00000
    148       3.3501      0.00000
    149       3.4178      0.00000
    150       3.5450      0.00000
    151       3.5596      0.00000
    152       3.6396      0.00000
    153       3.6580      0.00000
    154       3.7022      0.00000
    155       3.7262      0.00000
    156       3.8928      0.00000
    157       3.9467      0.00000
    158       4.0263      0.00000
    159       4.0670      0.00000
    160       4.1749      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2810      1.00000
      2     -22.0768      1.00000
      3     -21.7182      1.00000
      4     -21.6800      1.00000
      5     -20.9809      1.00000
      6     -20.9340      1.00000
      7     -20.6096      1.00000
      8     -20.5775      1.00000
      9     -20.5646      1.00000
     10     -20.0306      1.00000
     11     -19.5124      1.00000
     12     -19.4831      1.00000
     13     -19.3110      1.00000
     14     -19.2981      1.00000
     15     -18.4480      1.00000
     16     -18.4057      1.00000
     17     -17.9272      1.00000
     18     -17.9072      1.00000
     19     -17.7644      1.00000
     20     -17.7203      1.00000
     21     -17.4415      1.00000
     22     -17.4234      1.00000
     23     -17.3369      1.00000
     24     -16.4722      1.00000
     25     -16.4619      1.00000
     26     -15.9690      1.00000
     27     -15.4111      1.00000
     28     -15.4102      1.00000
     29     -15.0963      1.00000
     30     -15.0933      1.00000
     31     -14.8526      1.00000
     32     -14.8407      1.00000
     33     -14.2970      1.00000
     34     -14.2541      1.00000
     35     -13.4437      1.00000
     36     -13.4008      1.00000
     37     -13.1757      1.00000
     38     -13.1744      1.00000
     39     -12.9841      1.00000
     40     -12.9753      1.00000
     41     -12.6114      1.00000
     42     -12.6094      1.00000
     43     -12.1959      1.00000
     44     -11.5805      1.00000
     45     -11.5401      1.00000
     46     -11.3145      1.00000
     47     -11.2846      1.00000
     48     -11.1411      1.00000
     49     -10.6918      1.00000
     50     -10.6653      1.00000
     51     -10.5439      1.00000
     52     -10.3214      1.00000
     53     -10.3139      1.00000
     54     -10.1737      1.00000
     55     -10.1237      1.00000
     56     -10.1101      1.00000
     57      -9.8096      1.00000
     58      -9.7514      1.00000
     59      -9.7513      1.00000
     60      -9.7020      1.00000
     61      -9.6985      1.00000
     62      -9.6455      1.00000
     63      -9.3524      1.00000
     64      -9.3509      1.00000
     65      -9.3213      1.00000
     66      -9.0269      1.00000
     67      -8.9614      1.00000
     68      -8.9566      1.00000
     69      -8.7745      1.00000
     70      -8.5952      1.00000
     71      -8.5855      1.00000
     72      -8.4215      1.00000
     73      -8.3490      1.00000
     74      -8.3233      1.00000
     75      -8.3023      1.00000
     76      -8.2680      1.00000
     77      -8.2567      1.00000
     78      -8.2426      1.00000
     79      -7.9251      1.00000
     80      -7.7363      1.00000
     81      -7.3800      1.00000
     82      -7.3507      1.00000
     83      -7.3140      1.00000
     84      -7.2178      1.00000
     85      -7.1596      1.00000
     86      -7.0689      1.00000
     87      -6.9606      1.00000
     88      -6.9080      1.00000
     89      -6.6176      1.00000
     90      -6.5569      1.00000
     91      -6.2753      1.00000
     92      -5.9955      1.00000
     93      -5.9589      1.00000
     94      -5.6750      1.00000
     95      -5.6483      1.00000
     96      -5.3863      1.00000
     97      -5.3145      1.00000
     98      -5.2934      1.00000
     99      -5.2126      1.00000
    100      -5.2009      1.00000
    101      -4.5044      1.00000
    102      -4.3325      1.00000
    103      -3.9968      1.00000
    104      -3.8861      1.00000
    105      -3.7888      1.00000
    106      -3.4384      1.00000
    107      -2.0341      0.00000
    108      -1.8662      0.00000
    109      -1.2186      0.00000
    110      -1.1872      0.00000
    111      -1.0390      0.00000
    112      -0.7753      0.00000
    113      -0.6814      0.00000
    114      -0.6632      0.00000
    115      -0.6128      0.00000
    116      -0.1058      0.00000
    117       0.2191      0.00000
    118       0.2354      0.00000
    119       0.7646      0.00000
    120       0.9791      0.00000
    121       1.0713      0.00000
    122       1.2357      0.00000
    123       1.2468      0.00000
    124       1.3338      0.00000
    125       1.5717      0.00000
    126       1.5805      0.00000
    127       1.6942      0.00000
    128       1.7872      0.00000
    129       1.9379      0.00000
    130       1.9523      0.00000
    131       2.0836      0.00000
    132       2.2930      0.00000
    133       2.3398      0.00000
    134       2.4127      0.00000
    135       2.5295      0.00000
    136       2.6228      0.00000
    137       2.7670      0.00000
    138       2.8245      0.00000
    139       2.8385      0.00000
    140       2.8587      0.00000
    141       3.0330      0.00000
    142       3.0946      0.00000
    143       3.1438      0.00000
    144       3.2128      0.00000
    145       3.3700      0.00000
    146       3.4118      0.00000
    147       3.4934      0.00000
    148       3.5323      0.00000
    149       3.5855      0.00000
    150       3.5993      0.00000
    151       3.6380      0.00000
    152       3.7270      0.00000
    153       3.7384      0.00000
    154       3.7708      0.00000
    155       3.8154      0.00000
    156       3.8739      0.00000
    157       4.0222      0.00000
    158       4.0807      0.00000
    159       4.1614      0.00000
    160       4.2009      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4243      1.00000
      2     -21.5996      1.00000
      3     -21.4804      1.00000
      4     -21.4714      1.00000
      5     -21.4394      1.00000
      6     -21.4389      1.00000
      7     -21.4283      1.00000
      8     -19.7049      1.00000
      9     -19.6510      1.00000
     10     -19.6289      1.00000
     11     -19.6174      1.00000
     12     -19.6128      1.00000
     13     -19.6112      1.00000
     14     -18.7882      1.00000
     15     -18.7528      1.00000
     16     -18.7346      1.00000
     17     -18.7252      1.00000
     18     -18.7172      1.00000
     19     -18.7130      1.00000
     20     -16.6353      1.00000
     21     -16.6084      1.00000
     22     -16.5853      1.00000
     23     -16.5826      1.00000
     24     -16.5538      1.00000
     25     -16.5533      1.00000
     26     -15.6132      1.00000
     27     -15.6009      1.00000
     28     -15.5978      1.00000
     29     -15.5645      1.00000
     30     -15.5630      1.00000
     31     -15.5616      1.00000
     32     -14.2589      1.00000
     33     -14.2504      1.00000
     34     -14.2414      1.00000
     35     -14.2360      1.00000
     36     -14.2223      1.00000
     37     -14.2194      1.00000
     38     -11.9055      1.00000
     39     -11.8797      1.00000
     40     -11.8685      1.00000
     41     -11.8665      1.00000
     42     -11.8466      1.00000
     43     -11.8461      1.00000
     44     -11.7707      1.00000
     45     -11.7696      1.00000
     46     -11.7345      1.00000
     47     -11.7286      1.00000
     48     -11.7264      1.00000
     49     -11.7212      1.00000
     50     -10.6714      1.00000
     51     -10.3878      1.00000
     52     -10.3835      1.00000
     53     -10.3770      1.00000
     54     -10.3685      1.00000
     55     -10.3563      1.00000
     56     -10.3537      1.00000
     57      -9.8998      1.00000
     58      -9.4479      1.00000
     59      -9.4046      1.00000
     60      -9.3616      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1416      1.00000
     64      -9.1250      1.00000
     65      -9.1214      1.00000
     66      -9.0865      1.00000
     67      -9.0719      1.00000
     68      -9.0716      1.00000
     69      -9.0701      1.00000
     70      -9.0677      1.00000
     71      -9.0645      1.00000
     72      -9.0410      1.00000
     73      -9.0301      1.00000
     74      -9.0271      1.00000
     75      -8.1375      1.00000
     76      -7.7329      1.00000
     77      -7.4714      1.00000
     78      -7.4667      1.00000
     79      -7.4561      1.00000
     80      -7.4361      1.00000
     81      -7.4248      1.00000
     82      -7.4091      1.00000
     83      -7.3118      1.00000
     84      -7.2696      1.00000
     85      -7.2573      1.00000
     86      -7.2487      1.00000
     87      -7.1573      1.00000
     88      -7.0465      1.00000
     89      -6.4471      1.00000
     90      -6.4154      1.00000
     91      -6.4003      1.00000
     92      -6.3634      1.00000
     93      -6.3535      1.00000
     94      -6.3405      1.00000
     95      -5.9628      1.00000
     96      -5.9586      1.00000
     97      -4.7974      1.00000
     98      -4.5410      1.00000
     99      -4.4815      1.00000
    100      -4.4725      1.00000
    101      -4.3832      1.00000
    102      -4.3830      1.00000
    103      -4.2672      1.00000
    104      -4.1853      1.00000
    105      -3.7353      1.00000
    106      -3.4709      1.00000
    107      -1.8607      0.00000
    108      -1.6750      0.00000
    109      -1.6265      0.00000
    110      -1.5942      0.00000
    111      -1.5792      0.00000
    112      -1.5783      0.00000
    113      -0.4288      0.00000
    114       0.1402      0.00000
    115       0.1889      0.00000
    116       0.2517      0.00000
    117       0.2647      0.00000
    118       0.2675      0.00000
    119       0.4709      0.00000
    120       0.5439      0.00000
    121       1.2405      0.00000
    122       1.2865      0.00000
    123       1.5189      0.00000
    124       1.7687      0.00000
    125       1.7714      0.00000
    126       1.7717      0.00000
    127       1.8000      0.00000
    128       1.8268      0.00000
    129       1.9537      0.00000
    130       1.9640      0.00000
    131       1.9695      0.00000
    132       1.9844      0.00000
    133       1.9915      0.00000
    134       2.0711      0.00000
    135       2.2415      0.00000
    136       2.3369      0.00000
    137       2.6007      0.00000
    138       2.6023      0.00000
    139       2.6278      0.00000
    140       2.6944      0.00000
    141       2.9334      0.00000
    142       3.0441      0.00000
    143       3.0639      0.00000
    144       3.0968      0.00000
    145       3.0971      0.00000
    146       3.1021      0.00000
    147       3.1033      0.00000
    148       3.2625      0.00000
    149       3.4435      0.00000
    150       3.4970      0.00000
    151       3.8130      0.00000
    152       3.9367      0.00000
    153       3.9388      0.00000
    154       3.9415      0.00000
    155       3.9495      0.00000
    156       3.9922      0.00000
    157       4.1877      0.00000
    158       4.2600      0.00000
    159       4.2761      0.00000
    160       4.2820      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3876      1.00000
      2     -21.8285      1.00000
      3     -21.6362      1.00000
      4     -21.6092      1.00000
      5     -21.2728      1.00000
      6     -21.2342      1.00000
      7     -21.0557      1.00000
      8     -20.1661      1.00000
      9     -20.1288      1.00000
     10     -19.6072      1.00000
     11     -19.5963      1.00000
     12     -19.4165      1.00000
     13     -19.0884      1.00000
     14     -19.0586      1.00000
     15     -19.0486      1.00000
     16     -19.0410      1.00000
     17     -18.3600      1.00000
     18     -18.3514      1.00000
     19     -18.0192      1.00000
     20     -17.0691      1.00000
     21     -17.0311      1.00000
     22     -16.9451      1.00000
     23     -16.9390      1.00000
     24     -16.4682      1.00000
     25     -16.4624      1.00000
     26     -15.6129      1.00000
     27     -15.6065      1.00000
     28     -15.2526      1.00000
     29     -15.2440      1.00000
     30     -15.1848      1.00000
     31     -15.0979      1.00000
     32     -15.0716      1.00000
     33     -14.6982      1.00000
     34     -14.6959      1.00000
     35     -13.7269      1.00000
     36     -13.7235      1.00000
     37     -13.2368      1.00000
     38     -12.6151      1.00000
     39     -12.5854      1.00000
     40     -12.4546      1.00000
     41     -12.4500      1.00000
     42     -12.1106      1.00000
     43     -12.1051      1.00000
     44     -11.7161      1.00000
     45     -11.6855      1.00000
     46     -11.2355      1.00000
     47     -11.2272      1.00000
     48     -11.0186      1.00000
     49     -11.0103      1.00000
     50     -10.9261      1.00000
     51     -10.9048      1.00000
     52     -10.6259      1.00000
     53     -10.1565      1.00000
     54     -10.1504      1.00000
     55     -10.0935      1.00000
     56      -9.9958      1.00000
     57      -9.7024      1.00000
     58      -9.6962      1.00000
     59      -9.6552      1.00000
     60      -9.5917      1.00000
     61      -9.5767      1.00000
     62      -9.5590      1.00000
     63      -9.3096      1.00000
     64      -9.3039      1.00000
     65      -9.2730      1.00000
     66      -9.2357      1.00000
     67      -9.1354      1.00000
     68      -9.1186      1.00000
     69      -9.1107      1.00000
     70      -8.9389      1.00000
     71      -8.8717      1.00000
     72      -8.6058      1.00000
     73      -8.5920      1.00000
     74      -8.2394      1.00000
     75      -8.1033      1.00000
     76      -7.9090      1.00000
     77      -7.8640      1.00000
     78      -7.7740      1.00000
     79      -7.7588      1.00000
     80      -7.6963      1.00000
     81      -7.5539      1.00000
     82      -7.3413      1.00000
     83      -7.3247      1.00000
     84      -7.2052      1.00000
     85      -7.1219      1.00000
     86      -7.0330      1.00000
     87      -7.0131      1.00000
     88      -6.7045      1.00000
     89      -6.6786      1.00000
     90      -6.6417      1.00000
     91      -6.5975      1.00000
     92      -6.1193      1.00000
     93      -6.0625      1.00000
     94      -6.0322      1.00000
     95      -6.0112      1.00000
     96      -5.7836      1.00000
     97      -4.9695      1.00000
     98      -4.8312      1.00000
     99      -4.7471      1.00000
    100      -4.6801      1.00000
    101      -4.4633      1.00000
    102      -4.2003      1.00000
    103      -4.1707      1.00000
    104      -4.1285      1.00000
    105      -3.7259      1.00000
    106      -3.4808      1.00000
    107      -1.8713      0.00000
    108      -1.8128      0.00000
    109      -1.5251      0.00000
    110      -1.3806      0.00000
    111      -1.3247      0.00000
    112      -1.2913      0.00000
    113      -0.7219      0.00000
    114      -0.3784      0.00000
    115      -0.2534      0.00000
    116       0.0325      0.00000
    117       0.5506      0.00000
    118       0.6947      0.00000
    119       0.7418      0.00000
    120       1.0431      0.00000
    121       1.0953      0.00000
    122       1.1448      0.00000
    123       1.2221      0.00000
    124       1.3737      0.00000
    125       1.5146      0.00000
    126       1.5727      0.00000
    127       1.7120      0.00000
    128       1.8121      0.00000
    129       1.8533      0.00000
    130       1.8769      0.00000
    131       2.0902      0.00000
    132       2.1801      0.00000
    133       2.2358      0.00000
    134       2.2984      0.00000
    135       2.5055      0.00000
    136       2.5802      0.00000
    137       2.6365      0.00000
    138       2.7703      0.00000
    139       2.7877      0.00000
    140       2.8206      0.00000
    141       2.8597      0.00000
    142       2.8907      0.00000
    143       2.9429      0.00000
    144       3.0708      0.00000
    145       3.1464      0.00000
    146       3.3096      0.00000
    147       3.3817      0.00000
    148       3.4278      0.00000
    149       3.4566      0.00000
    150       3.6047      0.00000
    151       3.6410      0.00000
    152       3.6572      0.00000
    153       3.7023      0.00000
    154       3.8995      0.00000
    155       3.9561      0.00000
    156       4.0098      0.00000
    157       4.0660      0.00000
    158       4.2229      0.00000
    159       4.2406      0.00000
    160       4.2726      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0763      1.00000
      3     -21.7145      1.00000
      4     -21.6836      1.00000
      5     -20.9775      1.00000
      6     -20.9379      1.00000
      7     -20.6101      1.00000
      8     -20.5742      1.00000
      9     -20.5682      1.00000
     10     -20.0318      1.00000
     11     -19.5020      1.00000
     12     -19.4904      1.00000
     13     -19.3058      1.00000
     14     -19.3004      1.00000
     15     -18.4469      1.00000
     16     -18.4110      1.00000
     17     -17.9220      1.00000
     18     -17.9120      1.00000
     19     -17.7612      1.00000
     20     -17.7262      1.00000
     21     -17.4362      1.00000
     22     -17.4277      1.00000
     23     -17.3418      1.00000
     24     -16.4625      1.00000
     25     -16.4611      1.00000
     26     -15.9665      1.00000
     27     -15.4130      1.00000
     28     -15.4084      1.00000
     29     -15.0955      1.00000
     30     -15.0929      1.00000
     31     -14.8560      1.00000
     32     -14.8485      1.00000
     33     -14.2907      1.00000
     34     -14.2585      1.00000
     35     -13.4374      1.00000
     36     -13.4054      1.00000
     37     -13.1782      1.00000
     38     -13.1737      1.00000
     39     -12.9810      1.00000
     40     -12.9761      1.00000
     41     -12.6144      1.00000
     42     -12.6096      1.00000
     43     -12.1992      1.00000
     44     -11.5755      1.00000
     45     -11.5420      1.00000
     46     -11.3097      1.00000
     47     -11.2871      1.00000
     48     -11.1437      1.00000
     49     -10.6752      1.00000
     50     -10.6617      1.00000
     51     -10.5485      1.00000
     52     -10.3255      1.00000
     53     -10.3175      1.00000
     54     -10.1692      1.00000
     55     -10.1166      1.00000
     56     -10.1121      1.00000
     57      -9.7962      1.00000
     58      -9.7671      1.00000
     59      -9.7510      1.00000
     60      -9.7011      1.00000
     61      -9.6990      1.00000
     62      -9.6604      1.00000
     63      -9.3575      1.00000
     64      -9.3507      1.00000
     65      -9.3150      1.00000
     66      -9.0393      1.00000
     67      -8.9647      1.00000
     68      -8.9499      1.00000
     69      -8.7979      1.00000
     70      -8.5936      1.00000
     71      -8.5581      1.00000
     72      -8.3967      1.00000
     73      -8.3644      1.00000
     74      -8.3257      1.00000
     75      -8.3082      1.00000
     76      -8.2611      1.00000
     77      -8.2581      1.00000
     78      -8.2367      1.00000
     79      -7.9087      1.00000
     80      -7.6524      1.00000
     81      -7.5434      1.00000
     82      -7.3882      1.00000
     83      -7.3515      1.00000
     84      -7.2340      1.00000
     85      -7.0983      1.00000
     86      -7.0377      1.00000
     87      -6.9348      1.00000
     88      -6.8469      1.00000
     89      -6.6135      1.00000
     90      -6.5622      1.00000
     91      -6.2709      1.00000
     92      -6.0429      1.00000
     93      -5.9519      1.00000
     94      -5.6629      1.00000
     95      -5.6223      1.00000
     96      -5.4613      1.00000
     97      -5.3201      1.00000
     98      -5.2794      1.00000
     99      -5.2150      1.00000
    100      -5.1939      1.00000
    101      -4.5005      1.00000
    102      -4.2037      1.00000
    103      -4.0561      1.00000
    104      -3.9897      1.00000
    105      -3.6917      1.00000
    106      -3.4909      1.00000
    107      -1.9480      0.00000
    108      -1.9005      0.00000
    109      -1.3379      0.00000
    110      -1.0879      0.00000
    111      -1.0614      0.00000
    112      -0.8031      0.00000
    113      -0.6808      0.00000
    114      -0.6501      0.00000
    115      -0.6108      0.00000
    116      -0.1117      0.00000
    117       0.2113      0.00000
    118       0.3242      0.00000
    119       0.6903      0.00000
    120       0.8812      0.00000
    121       1.1211      0.00000
    122       1.1945      0.00000
    123       1.3221      0.00000
    124       1.4144      0.00000
    125       1.5499      0.00000
    126       1.5714      0.00000
    127       1.6735      0.00000
    128       1.8041      0.00000
    129       1.8701      0.00000
    130       2.0478      0.00000
    131       2.1208      0.00000
    132       2.3249      0.00000
    133       2.3544      0.00000
    134       2.3909      0.00000
    135       2.5345      0.00000
    136       2.6259      0.00000
    137       2.7232      0.00000
    138       2.7574      0.00000
    139       2.8220      0.00000
    140       2.8735      0.00000
    141       3.0359      0.00000
    142       3.0497      0.00000
    143       3.1553      0.00000
    144       3.2578      0.00000
    145       3.3539      0.00000
    146       3.4092      0.00000
    147       3.4268      0.00000
    148       3.5555      0.00000
    149       3.5720      0.00000
    150       3.5882      0.00000
    151       3.6520      0.00000
    152       3.6689      0.00000
    153       3.7746      0.00000
    154       3.7934      0.00000
    155       3.8045      0.00000
    156       3.8896      0.00000
    157       3.9150      0.00000
    158       3.9937      0.00000
    159       4.2062      0.00000
    160       4.2213      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3155      1.00000
      2     -21.9607      1.00000
      3     -21.8924      1.00000
      4     -21.3789      1.00000
      5     -21.3504      1.00000
      6     -20.8383      1.00000
      7     -20.7736      1.00000
      8     -20.6232      1.00000
      9     -20.0760      1.00000
     10     -20.0706      1.00000
     11     -19.7157      1.00000
     12     -19.6918      1.00000
     13     -18.9954      1.00000
     14     -18.9898      1.00000
     15     -18.6390      1.00000
     16     -18.6235      1.00000
     17     -18.4624      1.00000
     18     -17.6752      1.00000
     19     -17.6258      1.00000
     20     -17.6227      1.00000
     21     -17.5811      1.00000
     22     -17.1259      1.00000
     23     -17.1049      1.00000
     24     -16.9609      1.00000
     25     -16.0010      1.00000
     26     -15.9282      1.00000
     27     -15.5854      1.00000
     28     -15.5853      1.00000
     29     -15.2876      1.00000
     30     -14.8636      1.00000
     31     -14.8368      1.00000
     32     -14.5802      1.00000
     33     -14.5387      1.00000
     34     -14.1678      1.00000
     35     -14.1540      1.00000
     36     -13.1485      1.00000
     37     -13.1006      1.00000
     38     -13.0310      1.00000
     39     -13.0217      1.00000
     40     -12.7104      1.00000
     41     -12.7065      1.00000
     42     -12.3403      1.00000
     43     -12.3091      1.00000
     44     -11.6351      1.00000
     45     -11.6222      1.00000
     46     -11.5716      1.00000
     47     -10.9488      1.00000
     48     -10.9159      1.00000
     49     -10.6307      1.00000
     50     -10.6262      1.00000
     51     -10.5461      1.00000
     52     -10.4989      1.00000
     53     -10.4981      1.00000
     54     -10.4414      1.00000
     55     -10.3630      1.00000
     56     -10.0970      1.00000
     57      -9.9023      1.00000
     58      -9.6113      1.00000
     59      -9.5594      1.00000
     60      -9.4519      1.00000
     61      -9.4120      1.00000
     62      -9.4046      1.00000
     63      -9.3797      1.00000
     64      -9.3790      1.00000
     65      -9.2855      1.00000
     66      -9.1682      1.00000
     67      -9.1434      1.00000
     68      -9.1151      1.00000
     69      -8.8638      1.00000
     70      -8.8569      1.00000
     71      -8.8149      1.00000
     72      -8.5963      1.00000
     73      -8.4796      1.00000
     74      -8.1992      1.00000
     75      -8.1637      1.00000
     76      -8.0131      1.00000
     77      -7.9572      1.00000
     78      -7.8534      1.00000
     79      -7.8434      1.00000
     80      -7.7081      1.00000
     81      -7.6989      1.00000
     82      -7.6249      1.00000
     83      -7.4455      1.00000
     84      -7.3059      1.00000
     85      -7.2483      1.00000
     86      -6.9074      1.00000
     87      -6.8938      1.00000
     88      -6.5892      1.00000
     89      -6.5508      1.00000
     90      -6.4105      1.00000
     91      -6.2532      1.00000
     92      -6.2323      1.00000
     93      -6.2055      1.00000
     94      -6.0233      1.00000
     95      -5.5496      1.00000
     96      -5.4890      1.00000
     97      -5.3495      1.00000
     98      -5.2210      1.00000
     99      -4.9793      1.00000
    100      -4.7292      1.00000
    101      -4.6772      1.00000
    102      -4.3843      1.00000
    103      -4.1991      1.00000
    104      -3.8651      1.00000
    105      -3.5467      1.00000
    106      -3.5022      1.00000
    107      -2.2601      0.00000
    108      -1.4551      0.00000
    109      -1.3749      0.00000
    110      -1.2452      0.00000
    111      -1.0997      0.00000
    112      -0.9482      0.00000
    113      -0.8669      0.00000
    114      -0.8069      0.00000
    115      -0.1427      0.00000
    116       0.1061      0.00000
    117       0.2379      0.00000
    118       0.3731      0.00000
    119       0.6481      0.00000
    120       0.8310      0.00000
    121       0.9320      0.00000
    122       1.0575      0.00000
    123       1.2300      0.00000
    124       1.4385      0.00000
    125       1.5451      0.00000
    126       1.7614      0.00000
    127       1.7863      0.00000
    128       1.8662      0.00000
    129       1.9627      0.00000
    130       2.0380      0.00000
    131       2.1692      0.00000
    132       2.1878      0.00000
    133       2.4038      0.00000
    134       2.4593      0.00000
    135       2.5283      0.00000
    136       2.5997      0.00000
    137       2.6343      0.00000
    138       2.6918      0.00000
    139       2.7644      0.00000
    140       2.8267      0.00000
    141       2.9432      0.00000
    142       3.0713      0.00000
    143       3.1925      0.00000
    144       3.2074      0.00000
    145       3.2552      0.00000
    146       3.3095      0.00000
    147       3.3191      0.00000
    148       3.4614      0.00000
    149       3.4921      0.00000
    150       3.6931      0.00000
    151       3.7065      0.00000
    152       3.7245      0.00000
    153       3.8534      0.00000
    154       3.9074      0.00000
    155       3.9317      0.00000
    156       3.9727      0.00000
    157       4.0076      0.00000
    158       4.0274      0.00000
    159       4.0403      0.00000
    160       4.0553      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1161      1.00000
      3     -21.9553      1.00000
      4     -21.4028      1.00000
      5     -21.0480      1.00000
      6     -21.0130      1.00000
      7     -20.4990      1.00000
      8     -20.4604      1.00000
      9     -20.2939      1.00000
     10     -20.2749      1.00000
     11     -19.9563      1.00000
     12     -19.8908      1.00000
     13     -18.8813      1.00000
     14     -18.8129      1.00000
     15     -18.3521      1.00000
     16     -18.3069      1.00000
     17     -18.1527      1.00000
     18     -18.1355      1.00000
     19     -17.8264      1.00000
     20     -17.7895      1.00000
     21     -17.2524      1.00000
     22     -17.2410      1.00000
     23     -17.1660      1.00000
     24     -17.1324      1.00000
     25     -16.1092      1.00000
     26     -15.8843      1.00000
     27     -15.8695      1.00000
     28     -15.8343      1.00000
     29     -15.2378      1.00000
     30     -14.5544      1.00000
     31     -14.5272      1.00000
     32     -14.2816      1.00000
     33     -13.9651      1.00000
     34     -13.9567      1.00000
     35     -13.8219      1.00000
     36     -13.8051      1.00000
     37     -13.6149      1.00000
     38     -13.5716      1.00000
     39     -13.3688      1.00000
     40     -12.6340      1.00000
     41     -12.1813      1.00000
     42     -12.1339      1.00000
     43     -12.0715      1.00000
     44     -12.0189      1.00000
     45     -11.6713      1.00000
     46     -11.6580      1.00000
     47     -11.1392      1.00000
     48     -11.1193      1.00000
     49     -10.7943      1.00000
     50     -10.7303      1.00000
     51     -10.5228      1.00000
     52     -10.2114      1.00000
     53     -10.2054      1.00000
     54     -10.1634      1.00000
     55     -10.0190      1.00000
     56     -10.0038      1.00000
     57      -9.9904      1.00000
     58      -9.8031      1.00000
     59      -9.7990      1.00000
     60      -9.7639      1.00000
     61      -9.7592      1.00000
     62      -9.4542      1.00000
     63      -9.4152      1.00000
     64      -9.0784      1.00000
     65      -9.0746      1.00000
     66      -9.0423      1.00000
     67      -8.9562      1.00000
     68      -8.8762      1.00000
     69      -8.7139      1.00000
     70      -8.7017      1.00000
     71      -8.5658      1.00000
     72      -8.5434      1.00000
     73      -8.4987      1.00000
     74      -8.4649      1.00000
     75      -8.4546      1.00000
     76      -8.2586      1.00000
     77      -8.1253      1.00000
     78      -8.0422      1.00000
     79      -7.9176      1.00000
     80      -7.8621      1.00000
     81      -7.6166      1.00000
     82      -7.5487      1.00000
     83      -7.4960      1.00000
     84      -7.2627      1.00000
     85      -6.9976      1.00000
     86      -6.9266      1.00000
     87      -6.8852      1.00000
     88      -6.5339      1.00000
     89      -6.4879      1.00000
     90      -6.4616      1.00000
     91      -6.4100      1.00000
     92      -5.9829      1.00000
     93      -5.8974      1.00000
     94      -5.7853      1.00000
     95      -5.7594      1.00000
     96      -5.4304      1.00000
     97      -5.3290      1.00000
     98      -5.2312      1.00000
     99      -5.2185      1.00000
    100      -5.1884      1.00000
    101      -4.6895      1.00000
    102      -4.4169      1.00000
    103      -4.2054      1.00000
    104      -3.8274      1.00000
    105      -3.5214      1.00000
    106      -3.2757      1.00000
    107      -2.5343      0.00000
    108      -1.4568      0.00000
    109      -1.2704      0.00000
    110      -1.2059      0.00000
    111      -1.1754      0.00000
    112      -0.7217      0.00000
    113      -0.5072      0.00000
    114      -0.4154      0.00000
    115      -0.3426      0.00000
    116      -0.1496      0.00000
    117      -0.0068      0.00000
    118       0.1890      0.00000
    119       0.5566      0.00000
    120       0.6082      0.00000
    121       0.7932      0.00000
    122       0.9004      0.00000
    123       1.1274      0.00000
    124       1.4853      0.00000
    125       1.6279      0.00000
    126       1.8408      0.00000
    127       1.9206      0.00000
    128       2.0989      0.00000
    129       2.1088      0.00000
    130       2.1499      0.00000
    131       2.1870      0.00000
    132       2.2749      0.00000
    133       2.3343      0.00000
    134       2.4685      0.00000
    135       2.5766      0.00000
    136       2.6504      0.00000
    137       2.8477      0.00000
    138       2.8650      0.00000
    139       2.8872      0.00000
    140       2.9974      0.00000
    141       3.0131      0.00000
    142       3.1352      0.00000
    143       3.1794      0.00000
    144       3.2217      0.00000
    145       3.2659      0.00000
    146       3.2795      0.00000
    147       3.2963      0.00000
    148       3.3413      0.00000
    149       3.4186      0.00000
    150       3.4430      0.00000
    151       3.5457      0.00000
    152       3.6190      0.00000
    153       3.7063      0.00000
    154       3.7292      0.00000
    155       3.7655      0.00000
    156       3.8917      0.00000
    157       3.9266      0.00000
    158       3.9958      0.00000
    159       4.1215      0.00000
    160       4.2139      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3153      1.00000
      2     -21.9624      1.00000
      3     -21.8908      1.00000
      4     -21.3828      1.00000
      5     -21.3472      1.00000
      6     -20.8379      1.00000
      7     -20.7718      1.00000
      8     -20.6235      1.00000
      9     -20.0883      1.00000
     10     -20.0602      1.00000
     11     -19.7171      1.00000
     12     -19.6889      1.00000
     13     -19.0087      1.00000
     14     -18.9783      1.00000
     15     -18.6492      1.00000
     16     -18.6171      1.00000
     17     -18.4597      1.00000
     18     -17.6600      1.00000
     19     -17.6458      1.00000
     20     -17.6103      1.00000
     21     -17.5773      1.00000
     22     -17.1371      1.00000
     23     -17.0977      1.00000
     24     -16.9669      1.00000
     25     -16.0093      1.00000
     26     -15.9223      1.00000
     27     -15.5980      1.00000
     28     -15.5751      1.00000
     29     -15.2798      1.00000
     30     -14.8763      1.00000
     31     -14.8302      1.00000
     32     -14.5749      1.00000
     33     -14.5367      1.00000
     34     -14.1650      1.00000
     35     -14.1601      1.00000
     36     -13.1628      1.00000
     37     -13.0954      1.00000
     38     -13.0228      1.00000
     39     -13.0189      1.00000
     40     -12.7178      1.00000
     41     -12.6950      1.00000
     42     -12.3407      1.00000
     43     -12.3133      1.00000
     44     -11.6332      1.00000
     45     -11.6237      1.00000
     46     -11.5701      1.00000
     47     -10.9417      1.00000
     48     -10.9232      1.00000
     49     -10.6654      1.00000
     50     -10.5909      1.00000
     51     -10.5725      1.00000
     52     -10.5026      1.00000
     53     -10.4883      1.00000
     54     -10.4405      1.00000
     55     -10.3556      1.00000
     56     -10.1012      1.00000
     57      -9.8965      1.00000
     58      -9.6083      1.00000
     59      -9.5507      1.00000
     60      -9.4521      1.00000
     61      -9.4210      1.00000
     62      -9.4087      1.00000
     63      -9.3801      1.00000
     64      -9.3722      1.00000
     65      -9.2663      1.00000
     66      -9.1671      1.00000
     67      -9.1435      1.00000
     68      -9.1169      1.00000
     69      -8.8677      1.00000
     70      -8.8614      1.00000
     71      -8.8016      1.00000
     72      -8.5950      1.00000
     73      -8.5246      1.00000
     74      -8.1951      1.00000
     75      -8.1720      1.00000
     76      -8.0786      1.00000
     77      -7.8590      1.00000
     78      -7.8375      1.00000
     79      -7.8208      1.00000
     80      -7.7122      1.00000
     81      -7.6977      1.00000
     82      -7.6016      1.00000
     83      -7.5245      1.00000
     84      -7.3519      1.00000
     85      -7.1660      1.00000
     86      -6.9077      1.00000
     87      -6.8977      1.00000
     88      -6.5938      1.00000
     89      -6.5509      1.00000
     90      -6.4073      1.00000
     91      -6.3024      1.00000
     92      -6.2481      1.00000
     93      -6.2041      1.00000
     94      -6.0033      1.00000
     95      -5.5309      1.00000
     96      -5.4653      1.00000
     97      -5.3134      1.00000
     98      -5.2099      1.00000
     99      -5.0453      1.00000
    100      -4.7224      1.00000
    101      -4.6706      1.00000
    102      -4.4190      1.00000
    103      -4.1916      1.00000
    104      -3.8367      1.00000
    105      -3.6317      1.00000
    106      -3.4140      1.00000
    107      -2.2942      0.00000
    108      -1.5089      0.00000
    109      -1.2730      0.00000
    110      -1.2663      0.00000
    111      -1.0366      0.00000
    112      -0.9812      0.00000
    113      -0.8712      0.00000
    114      -0.8032      0.00000
    115      -0.2637      0.00000
    116       0.2001      0.00000
    117       0.2354      0.00000
    118       0.3551      0.00000
    119       0.6857      0.00000
    120       0.8895      0.00000
    121       0.9192      0.00000
    122       1.0364      0.00000
    123       1.1607      0.00000
    124       1.5031      0.00000
    125       1.5536      0.00000
    126       1.7006      0.00000
    127       1.7747      0.00000
    128       1.8275      0.00000
    129       1.9612      0.00000
    130       1.9786      0.00000
    131       2.1783      0.00000
    132       2.2530      0.00000
    133       2.4072      0.00000
    134       2.4644      0.00000
    135       2.5290      0.00000
    136       2.5948      0.00000
    137       2.6135      0.00000
    138       2.6952      0.00000
    139       2.7450      0.00000
    140       2.8528      0.00000
    141       3.0300      0.00000
    142       3.0704      0.00000
    143       3.1848      0.00000
    144       3.2389      0.00000
    145       3.2574      0.00000
    146       3.2888      0.00000
    147       3.3382      0.00000
    148       3.4456      0.00000
    149       3.5147      0.00000
    150       3.6885      0.00000
    151       3.7114      0.00000
    152       3.7465      0.00000
    153       3.8253      0.00000
    154       3.8843      0.00000
    155       3.9209      0.00000
    156       3.9705      0.00000
    157       4.0012      0.00000
    158       4.0360      0.00000
    159       4.0386      0.00000
    160       4.0849      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3875      1.00000
      2     -21.8287      1.00000
      3     -21.6395      1.00000
      4     -21.6054      1.00000
      5     -21.2770      1.00000
      6     -21.2308      1.00000
      7     -21.0549      1.00000
      8     -20.1696      1.00000
      9     -20.1244      1.00000
     10     -19.6160      1.00000
     11     -19.5905      1.00000
     12     -19.4141      1.00000
     13     -19.0931      1.00000
     14     -19.0554      1.00000
     15     -19.0511      1.00000
     16     -19.0382      1.00000
     17     -18.3663      1.00000
     18     -18.3470      1.00000
     19     -18.0153      1.00000
     20     -17.0710      1.00000
     21     -17.0230      1.00000
     22     -16.9499      1.00000
     23     -16.9363      1.00000
     24     -16.4761      1.00000
     25     -16.4642      1.00000
     26     -15.6093      1.00000
     27     -15.6089      1.00000
     28     -15.2492      1.00000
     29     -15.2374      1.00000
     30     -15.1901      1.00000
     31     -15.1005      1.00000
     32     -15.0682      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7256      1.00000
     36     -13.7255      1.00000
     37     -13.2343      1.00000
     38     -12.6242      1.00000
     39     -12.5810      1.00000
     40     -12.4536      1.00000
     41     -12.4483      1.00000
     42     -12.1058      1.00000
     43     -12.1011      1.00000
     44     -11.7228      1.00000
     45     -11.6848      1.00000
     46     -11.2465      1.00000
     47     -11.2267      1.00000
     48     -11.0167      1.00000
     49     -11.0052      1.00000
     50     -10.9283      1.00000
     51     -10.9001      1.00000
     52     -10.6321      1.00000
     53     -10.1717      1.00000
     54     -10.1493      1.00000
     55     -10.0853      1.00000
     56      -9.9880      1.00000
     57      -9.6960      1.00000
     58      -9.6888      1.00000
     59      -9.6696      1.00000
     60      -9.5942      1.00000
     61      -9.5702      1.00000
     62      -9.5523      1.00000
     63      -9.3120      1.00000
     64      -9.2997      1.00000
     65      -9.2812      1.00000
     66      -9.2464      1.00000
     67      -9.1212      1.00000
     68      -9.1121      1.00000
     69      -9.1106      1.00000
     70      -8.9382      1.00000
     71      -8.8787      1.00000
     72      -8.6073      1.00000
     73      -8.5889      1.00000
     74      -8.2722      1.00000
     75      -8.1012      1.00000
     76      -7.8712      1.00000
     77      -7.8430      1.00000
     78      -7.7907      1.00000
     79      -7.7657      1.00000
     80      -7.7563      1.00000
     81      -7.4395      1.00000
     82      -7.3350      1.00000
     83      -7.3238      1.00000
     84      -7.2656      1.00000
     85      -7.1669      1.00000
     86      -7.0190      1.00000
     87      -6.9859      1.00000
     88      -6.7174      1.00000
     89      -6.6927      1.00000
     90      -6.6312      1.00000
     91      -6.5901      1.00000
     92      -6.1178      1.00000
     93      -6.0604      1.00000
     94      -6.0453      1.00000
     95      -6.0313      1.00000
     96      -5.7476      1.00000
     97      -4.9697      1.00000
     98      -4.8385      1.00000
     99      -4.7092      1.00000
    100      -4.6737      1.00000
    101      -4.4794      1.00000
    102      -4.3467      1.00000
    103      -4.1128      1.00000
    104      -4.0555      1.00000
    105      -3.7509      1.00000
    106      -3.4593      1.00000
    107      -1.9501      0.00000
    108      -1.7741      0.00000
    109      -1.4826      0.00000
    110      -1.3584      0.00000
    111      -1.3398      0.00000
    112      -1.2955      0.00000
    113      -0.6811      0.00000
    114      -0.4731      0.00000
    115      -0.2389      0.00000
    116       0.0469      0.00000
    117       0.5824      0.00000
    118       0.6889      0.00000
    119       0.7644      0.00000
    120       1.0151      0.00000
    121       1.0934      0.00000
    122       1.1710      0.00000
    123       1.2459      0.00000
    124       1.3324      0.00000
    125       1.4293      0.00000
    126       1.5859      0.00000
    127       1.7606      0.00000
    128       1.8383      0.00000
    129       1.8554      0.00000
    130       1.8828      0.00000
    131       2.0398      0.00000
    132       2.2121      0.00000
    133       2.2255      0.00000
    134       2.2779      0.00000
    135       2.4742      0.00000
    136       2.6063      0.00000
    137       2.6390      0.00000
    138       2.7432      0.00000
    139       2.7833      0.00000
    140       2.8305      0.00000
    141       2.8403      0.00000
    142       2.8716      0.00000
    143       2.9475      0.00000
    144       3.0746      0.00000
    145       3.3064      0.00000
    146       3.3536      0.00000
    147       3.3993      0.00000
    148       3.4147      0.00000
    149       3.4153      0.00000
    150       3.5854      0.00000
    151       3.6444      0.00000
    152       3.6625      0.00000
    153       3.7216      0.00000
    154       3.8865      0.00000
    155       3.9196      0.00000
    156       3.9508      0.00000
    157       4.1081      0.00000
    158       4.1969      0.00000
    159       4.2381      0.00000
    160       4.2771      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2071      1.00000
      2     -22.1175      1.00000
      3     -21.9550      1.00000
      4     -21.4031      1.00000
      5     -21.0442      1.00000
      6     -21.0165      1.00000
      7     -20.4943      1.00000
      8     -20.4651      1.00000
      9     -20.2845      1.00000
     10     -20.2827      1.00000
     11     -19.9557      1.00000
     12     -19.8931      1.00000
     13     -18.8827      1.00000
     14     -18.8159      1.00000
     15     -18.3362      1.00000
     16     -18.3175      1.00000
     17     -18.1485      1.00000
     18     -18.1412      1.00000
     19     -17.8146      1.00000
     20     -17.7969      1.00000
     21     -17.2584      1.00000
     22     -17.2392      1.00000
     23     -17.1590      1.00000
     24     -17.1364      1.00000
     25     -16.1149      1.00000
     26     -15.8799      1.00000
     27     -15.8692      1.00000
     28     -15.8421      1.00000
     29     -15.2305      1.00000
     30     -14.5514      1.00000
     31     -14.5336      1.00000
     32     -14.2757      1.00000
     33     -13.9741      1.00000
     34     -13.9505      1.00000
     35     -13.8255      1.00000
     36     -13.8030      1.00000
     37     -13.6042      1.00000
     38     -13.5794      1.00000
     39     -13.3686      1.00000
     40     -12.6375      1.00000
     41     -12.1697      1.00000
     42     -12.1437      1.00000
     43     -12.0682      1.00000
     44     -12.0216      1.00000
     45     -11.6640      1.00000
     46     -11.6596      1.00000
     47     -11.1382      1.00000
     48     -11.1278      1.00000
     49     -10.7921      1.00000
     50     -10.7364      1.00000
     51     -10.5298      1.00000
     52     -10.2074      1.00000
     53     -10.2016      1.00000
     54     -10.1690      1.00000
     55     -10.0214      1.00000
     56      -9.9931      1.00000
     57      -9.9898      1.00000
     58      -9.8050      1.00000
     59      -9.7956      1.00000
     60      -9.7665      1.00000
     61      -9.7588      1.00000
     62      -9.4574      1.00000
     63      -9.4155      1.00000
     64      -9.0843      1.00000
     65      -9.0459      1.00000
     66      -9.0249      1.00000
     67      -8.9712      1.00000
     68      -8.8963      1.00000
     69      -8.7078      1.00000
     70      -8.6990      1.00000
     71      -8.5629      1.00000
     72      -8.5523      1.00000
     73      -8.4789      1.00000
     74      -8.4608      1.00000
     75      -8.4569      1.00000
     76      -8.3046      1.00000
     77      -8.0930      1.00000
     78      -8.0897      1.00000
     79      -7.9276      1.00000
     80      -7.8335      1.00000
     81      -7.6004      1.00000
     82      -7.5400      1.00000
     83      -7.4532      1.00000
     84      -7.3043      1.00000
     85      -6.9941      1.00000
     86      -6.9208      1.00000
     87      -6.8825      1.00000
     88      -6.5311      1.00000
     89      -6.5164      1.00000
     90      -6.4839      1.00000
     91      -6.4214      1.00000
     92      -5.9257      1.00000
     93      -5.9044      1.00000
     94      -5.7891      1.00000
     95      -5.7748      1.00000
     96      -5.3683      1.00000
     97      -5.3617      1.00000
     98      -5.2203      1.00000
     99      -5.2162      1.00000
    100      -5.1994      1.00000
    101      -4.7187      1.00000
    102      -4.4362      1.00000
    103      -4.1879      1.00000
    104      -3.8135      1.00000
    105      -3.5587      1.00000
    106      -3.2243      1.00000
    107      -2.5637      0.00000
    108      -1.4618      0.00000
    109      -1.2705      0.00000
    110      -1.1886      0.00000
    111      -1.1868      0.00000
    112      -0.6472      0.00000
    113      -0.5559      0.00000
    114      -0.4179      0.00000
    115      -0.3512      0.00000
    116      -0.0814      0.00000
    117      -0.0676      0.00000
    118       0.1229      0.00000
    119       0.5888      0.00000
    120       0.6223      0.00000
    121       0.8496      0.00000
    122       0.9813      0.00000
    123       0.9980      0.00000
    124       1.4869      0.00000
    125       1.6761      0.00000
    126       1.7567      0.00000
    127       1.8498      0.00000
    128       2.1032      0.00000
    129       2.1456      0.00000
    130       2.1879      0.00000
    131       2.2057      0.00000
    132       2.2514      0.00000
    133       2.3484      0.00000
    134       2.4902      0.00000
    135       2.5104      0.00000
    136       2.6563      0.00000
    137       2.8488      0.00000
    138       2.8561      0.00000
    139       2.9469      0.00000
    140       2.9850      0.00000
    141       3.0256      0.00000
    142       3.1313      0.00000
    143       3.1929      0.00000
    144       3.2357      0.00000
    145       3.2387      0.00000
    146       3.2742      0.00000
    147       3.3003      0.00000
    148       3.3501      0.00000
    149       3.4178      0.00000
    150       3.5450      0.00000
    151       3.5597      0.00000
    152       3.6396      0.00000
    153       3.6580      0.00000
    154       3.7022      0.00000
    155       3.7262      0.00000
    156       3.8928      0.00000
    157       3.9467      0.00000
    158       4.0263      0.00000
    159       4.0670      0.00000
    160       4.1749      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2810      1.00000
      2     -22.0768      1.00000
      3     -21.7182      1.00000
      4     -21.6800      1.00000
      5     -20.9809      1.00000
      6     -20.9340      1.00000
      7     -20.6096      1.00000
      8     -20.5775      1.00000
      9     -20.5646      1.00000
     10     -20.0306      1.00000
     11     -19.5124      1.00000
     12     -19.4831      1.00000
     13     -19.3110      1.00000
     14     -19.2981      1.00000
     15     -18.4480      1.00000
     16     -18.4057      1.00000
     17     -17.9272      1.00000
     18     -17.9072      1.00000
     19     -17.7644      1.00000
     20     -17.7203      1.00000
     21     -17.4415      1.00000
     22     -17.4234      1.00000
     23     -17.3369      1.00000
     24     -16.4722      1.00000
     25     -16.4619      1.00000
     26     -15.9690      1.00000
     27     -15.4111      1.00000
     28     -15.4102      1.00000
     29     -15.0963      1.00000
     30     -15.0933      1.00000
     31     -14.8526      1.00000
     32     -14.8407      1.00000
     33     -14.2970      1.00000
     34     -14.2541      1.00000
     35     -13.4437      1.00000
     36     -13.4008      1.00000
     37     -13.1757      1.00000
     38     -13.1744      1.00000
     39     -12.9841      1.00000
     40     -12.9753      1.00000
     41     -12.6114      1.00000
     42     -12.6094      1.00000
     43     -12.1959      1.00000
     44     -11.5805      1.00000
     45     -11.5401      1.00000
     46     -11.3145      1.00000
     47     -11.2846      1.00000
     48     -11.1411      1.00000
     49     -10.6918      1.00000
     50     -10.6653      1.00000
     51     -10.5439      1.00000
     52     -10.3214      1.00000
     53     -10.3139      1.00000
     54     -10.1737      1.00000
     55     -10.1237      1.00000
     56     -10.1101      1.00000
     57      -9.8096      1.00000
     58      -9.7514      1.00000
     59      -9.7513      1.00000
     60      -9.7020      1.00000
     61      -9.6985      1.00000
     62      -9.6455      1.00000
     63      -9.3524      1.00000
     64      -9.3509      1.00000
     65      -9.3213      1.00000
     66      -9.0269      1.00000
     67      -8.9614      1.00000
     68      -8.9566      1.00000
     69      -8.7745      1.00000
     70      -8.5952      1.00000
     71      -8.5855      1.00000
     72      -8.4215      1.00000
     73      -8.3490      1.00000
     74      -8.3233      1.00000
     75      -8.3023      1.00000
     76      -8.2680      1.00000
     77      -8.2567      1.00000
     78      -8.2426      1.00000
     79      -7.9251      1.00000
     80      -7.7363      1.00000
     81      -7.3800      1.00000
     82      -7.3507      1.00000
     83      -7.3140      1.00000
     84      -7.2178      1.00000
     85      -7.1596      1.00000
     86      -7.0689      1.00000
     87      -6.9606      1.00000
     88      -6.9080      1.00000
     89      -6.6176      1.00000
     90      -6.5569      1.00000
     91      -6.2753      1.00000
     92      -5.9955      1.00000
     93      -5.9589      1.00000
     94      -5.6750      1.00000
     95      -5.6483      1.00000
     96      -5.3863      1.00000
     97      -5.3144      1.00000
     98      -5.2934      1.00000
     99      -5.2126      1.00000
    100      -5.2009      1.00000
    101      -4.5044      1.00000
    102      -4.3325      1.00000
    103      -3.9968      1.00000
    104      -3.8861      1.00000
    105      -3.7888      1.00000
    106      -3.4384      1.00000
    107      -2.0341      0.00000
    108      -1.8662      0.00000
    109      -1.2186      0.00000
    110      -1.1872      0.00000
    111      -1.0390      0.00000
    112      -0.7753      0.00000
    113      -0.6814      0.00000
    114      -0.6632      0.00000
    115      -0.6128      0.00000
    116      -0.1058      0.00000
    117       0.2191      0.00000
    118       0.2354      0.00000
    119       0.7646      0.00000
    120       0.9791      0.00000
    121       1.0713      0.00000
    122       1.2357      0.00000
    123       1.2468      0.00000
    124       1.3338      0.00000
    125       1.5717      0.00000
    126       1.5805      0.00000
    127       1.6942      0.00000
    128       1.7872      0.00000
    129       1.9379      0.00000
    130       1.9523      0.00000
    131       2.0836      0.00000
    132       2.2930      0.00000
    133       2.3398      0.00000
    134       2.4127      0.00000
    135       2.5295      0.00000
    136       2.6228      0.00000
    137       2.7670      0.00000
    138       2.8245      0.00000
    139       2.8385      0.00000
    140       2.8587      0.00000
    141       3.0330      0.00000
    142       3.0946      0.00000
    143       3.1438      0.00000
    144       3.2128      0.00000
    145       3.3700      0.00000
    146       3.4118      0.00000
    147       3.4934      0.00000
    148       3.5323      0.00000
    149       3.5855      0.00000
    150       3.5993      0.00000
    151       3.6380      0.00000
    152       3.7270      0.00000
    153       3.7384      0.00000
    154       3.7708      0.00000
    155       3.8154      0.00000
    156       3.8739      0.00000
    157       4.0222      0.00000
    158       4.0807      0.00000
    159       4.1614      0.00000
    160       4.2009      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0434   -7.3961    4.1994   -1.2767   -0.2384   17.6012    0.1399   -0.5294    0.6316   -0.4648
x    -3.0917   -0.0371   -0.0632    0.0619   -0.0109   -2.9777   -0.0099   -0.0068    0.0048    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0002   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0434    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0005   -0.0941   -0.0089    0.0372    0.0391
y    -0.0450   -3.2444   -0.5414   -0.1644   -1.1931   -0.6058
z   204.0434    1.1062   -0.3117    0.0490    0.0206    0.0867   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1125    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7848
z    -0.2197    0.2319   -0.0553    0.0613   -0.0902    0.0008
 total charge-density along one line
x   212.0000  -10.2273    6.1480   -2.0869   -0.4743   19.5185   -1.0048    0.4784   -0.0482   -0.1249
x    -2.6449   -0.0274   -0.0610    0.0848   -0.0546   -2.2244   -0.0243   -0.0023    0.0051    0.0021
x    -0.0895    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2273    6.1480   -2.0869   -0.4743   19.5185   -1.0048    0.4784   -0.0482   -0.1249
y    -2.6449   -0.0274   -0.0610    0.0848   -0.0546   -2.2244   -0.0243   -0.0023    0.0051    0.0021
y    -0.0895    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3207  188.8878 -170.1394  154.0529 -140.5040  126.8051 -111.4233   95.0651  -79.2556
z    64.8748  -52.0781   40.9791  -31.9124   25.0404  -19.9733   15.9439  -12.3476    9.0735   -6.3492
z     4.3503   -2.9858    2.0028   -1.2129    0.5849   -0.1553   -0.0932    0.2481   -0.3869    0.5127
z    -0.5773    0.5537   -0.4734    0.3958   -0.3540    0.3357   -0.3104    0.2652   -0.2125    0.1704
z    -0.1439    0.1247   -0.1045    0.0829   -0.0653    0.0546   -0.0484    0.0427   -0.0357    0.0289
z    -0.0241    0.0211   -0.0187    0.0159   -0.0130    0.0103   -0.0082    0.0064   -0.0048    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.096   0.000   0.000
  0.000   0.212   0.000   1.567   0.000   0.000  -0.310   0.000   0.628   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.132   0.000  -0.034  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.132   0.000   0.414   0.000   0.077   0.587  -0.238   0.000   0.063   0.000   0.000
  0.000  -0.310   0.000   0.628   0.000   0.000  -0.191   0.000   0.376   0.000   0.000   0.000  -0.051   0.000   0.070   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.587   0.000   0.163   1.368  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.096   0.000   0.026  -0.093   0.000   0.063   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.070   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.013   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.031   8.933
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.783   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.862  89.403   8.031 142.296
 


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


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


    CHARGE:  VPU time   90.18: CPU time   45.48
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  361.74: CPU time  181.17
    STRESS:  VPU time 1087.93: CPU time  546.54
    FORCOR:  VPU time    7.38: CPU time    7.37
    FORHAR:  VPU time    1.96: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force = 0.1771342E-05[ 0.134E-05, 0.220E-05]  d Energy = 0.5600861E-05-0.383E-05
 d Force = 0.3263591E-01[ 0.326E-01, 0.326E-01]  d Ewald  =-0.1272491E+01 0.131E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726585 eV

  energy  without entropy=     -471.726585  energy(sigma->0) =     -471.726585
 

  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    40789.92  40748.26 -47486.55    -36.08      0.00      0.00
  Hartree  40216.32  40200.18 -39474.15    -13.98      0.00      0.00
  E(xc)     -779.36   -779.64   -807.29     -0.25      0.00      0.00
  Local   -83290.49 -83241.61  84275.76     42.33      0.00      0.00
  n-local   -216.76   -215.60   -203.47      0.74      0.00      0.00
  augment     20.07     22.06     17.82      1.72      0.00      0.00
  Kinetic   3162.03   3175.40   3583.65      3.23      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.59     -0.76     -0.29     -0.14      0.00      0.00
  in kB       -0.36     -0.46     -0.18     -0.09      0.00      0.00
  external pressure =       -0.33 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.347025055  0.001779632  0.000000000     0.080984433  0.046740890  0.000000000
    -6.171977963 10.693723163  0.000000000    -0.000013477  0.093505022  0.000000000
     0.000000000  0.000000000 19.978256016     0.000000000  0.000000000  0.050054419

  length of vectors
    12.347025183 12.347025029 19.978256016     0.093505022  0.093505023  0.050054419


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.352E-05 -.494E-04 -.950E+03   0.420E-05 -.275E-04 0.959E+03   0.593E-20 0.846E-21 -.869E+01   -.474E-07 0.277E-07 0.728E-03
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.889E+00 -.253E+01   0.763E-04 -.448E-04 0.287E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.889E+00 -.253E+01   -.763E-04 0.448E-04 0.287E-03
   -.201E+01 0.116E+01 0.135E+02   0.201E+01 -.116E+01 -.135E+02   0.103E-02 -.595E-03 -.337E-01   -.331E-03 0.188E-03 0.312E-03
   0.621E+01 0.685E+01 0.164E+02   -.621E+01 -.687E+01 -.164E+02   0.222E-02 0.173E-01 -.369E-01   -.161E-03 0.312E-03 0.216E-03
   0.112E+02 0.507E+01 0.166E+02   -.112E+02 -.508E+01 -.165E+02   0.187E-01 0.787E-02 -.486E-01   -.387E-03 0.331E-03 -.144E-03
   0.469E+01 -.878E+00 0.154E+02   -.471E+01 0.885E+00 -.154E+02   0.160E-01 -.752E-02 -.981E-02   -.475E-03 0.245E-03 -.352E-03
   -.304E+01 -.251E+01 0.138E+02   0.304E+01 0.251E+01 -.138E+02   0.214E-02 0.114E-02 -.458E-02   -.468E-03 0.242E-03 -.122E-03
   0.655E+00 0.389E+01 0.138E+02   -.652E+00 -.389E+01 -.138E+02   0.826E-04 -.243E-02 -.458E-02   -.449E-03 0.278E-03 -.125E-03
   0.247E+01 0.188E+02 0.226E+02   -.246E+01 -.189E+02 -.225E+02   0.134E-03 0.991E-01 -.418E-01   -.379E-03 0.541E-03 -.186E-04
   0.226E+02 0.213E+02 0.403E+02   -.227E+02 -.216E+02 -.402E+02   0.759E-01 0.257E+00 -.722E-01   -.180E-03 0.592E-03 0.238E-03
   0.266E+02 -.342E+01 0.259E+02   -.269E+02 0.352E+01 -.258E+02   0.267E+00 -.109E+00 -.395E-01   -.117E-03 0.452E-04 -.802E-04
   0.911E+01 -.526E+01 0.156E+02   -.915E+01 0.528E+01 -.155E+02   0.426E-01 -.246E-01 -.152E-01   -.582E-03 0.330E-03 -.180E-03
   0.311E+01 -.363E+01 0.154E+02   -.312E+01 0.363E+01 -.154E+02   0.145E-01 -.101E-01 -.981E-02   -.452E-03 0.285E-03 -.359E-03
   -.587E+01 0.135E+02 0.177E+02   0.588E+01 -.136E+02 -.177E+02   0.551E-03 0.697E-01 -.439E-01   -.688E-03 0.199E-03 -.110E-03
   -.118E+02 0.359E+02 0.467E+02   0.118E+02 -.365E+02 -.470E+02   -.297E-01 0.602E+00 0.297E+00   -.866E-03 0.528E-03 -.110E-03
   0.234E+02 -.135E+02 0.914E+02   -.241E+02 0.139E+02 -.934E+02   0.631E+00 -.364E+00 0.202E+01   0.237E-04 -.164E-04 -.330E-03
   0.163E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.258E+02   0.228E+00 -.176E+00 -.395E-01   -.100E-03 0.713E-04 -.845E-04
   0.121E+01 -.122E+02 0.166E+02   -.121E+01 0.122E+02 -.165E+02   0.256E-02 -.202E-01 -.486E-01   -.477E-03 0.168E-03 -.149E-03
   -.411E+01 0.189E+01 0.142E+02   0.412E+01 -.191E+01 -.141E+02   0.190E-02 0.918E-02 -.333E-01   -.337E-03 0.213E-03 -.329E-03
   -.191E+02 0.110E+02 0.224E+02   0.191E+02 -.111E+02 -.224E+02   -.492E-01 0.284E-01 -.465E-01   -.612E-03 0.357E-03 0.115E-03
   -.370E+02 -.776E+01 0.467E+02   0.375E+02 0.803E+01 -.470E+02   -.537E+00 -.275E+00 0.297E+00   -.887E-03 0.485E-03 -.107E-03
   -.716E+01 -.302E+02 0.403E+02   0.734E+01 0.304E+02 -.402E+02   -.185E+00 -.194E+00 -.722E-01   -.599E-03 -.144E-03 0.237E-03
   -.283E+01 -.880E+01 0.164E+02   0.285E+01 0.881E+01 -.164E+02   -.139E-01 -.106E-01 -.369E-01   -.349E-03 -.184E-04 0.215E-03
   0.141E+01 -.814E+00 0.129E+02   -.141E+01 0.813E+00 -.129E+02   0.184E-02 -.106E-02 -.307E-01   -.465E-03 0.270E-03 0.149E-03
   -.370E+01 0.262E+01 0.142E+02   0.371E+01 -.261E+01 -.141E+02   -.700E-02 -.624E-02 -.333E-01   -.351E-03 0.190E-03 -.324E-03
   -.146E+02 -.167E+01 0.177E+02   0.147E+02 0.171E+01 -.177E+02   -.601E-01 -.353E-01 -.439E-01   -.515E-03 0.495E-03 -.103E-03
   -.150E+02 -.115E+02 0.226E+02   0.151E+02 0.116E+02 -.225E+02   -.858E-01 -.497E-01 -.418E-01   -.656E-03 0.519E-04 -.160E-04
   0.283E+01 0.880E+01 0.164E+02   -.285E+01 -.881E+01 -.164E+02   0.139E-01 0.106E-01 -.369E-01   0.349E-03 0.184E-04 0.215E-03
   0.150E+02 0.115E+02 0.226E+02   -.151E+02 -.116E+02 -.225E+02   0.858E-01 0.497E-01 -.418E-01   0.656E-03 -.519E-04 -.160E-04
   0.146E+02 0.167E+01 0.177E+02   -.147E+02 -.171E+01 -.177E+02   0.601E-01 0.353E-01 -.439E-01   0.515E-03 -.494E-03 -.103E-03
   0.370E+01 -.262E+01 0.142E+02   -.371E+01 0.261E+01 -.141E+02   0.700E-02 0.624E-02 -.333E-01   0.351E-03 -.190E-03 -.324E-03
   -.141E+01 0.814E+00 0.129E+02   0.141E+01 -.813E+00 -.129E+02   -.184E-02 0.106E-02 -.307E-01   0.465E-03 -.270E-03 0.149E-03
   -.121E+01 0.122E+02 0.166E+02   0.121E+01 -.122E+02 -.165E+02   -.256E-02 0.202E-01 -.486E-01   0.477E-03 -.168E-03 -.149E-03
   0.716E+01 0.302E+02 0.403E+02   -.734E+01 -.304E+02 -.402E+02   0.185E+00 0.194E+00 -.722E-01   0.599E-03 0.144E-03 0.237E-03
   0.370E+02 0.776E+01 0.467E+02   -.375E+02 -.803E+01 -.470E+02   0.537E+00 0.275E+00 0.297E+00   0.887E-03 -.485E-03 -.107E-03
   0.191E+02 -.110E+02 0.224E+02   -.191E+02 0.111E+02 -.224E+02   0.492E-01 -.284E-01 -.465E-01   0.613E-03 -.357E-03 0.115E-03
   0.411E+01 -.189E+01 0.142E+02   -.412E+01 0.191E+01 -.141E+02   -.190E-02 -.918E-02 -.333E-01   0.337E-03 -.213E-03 -.329E-03
   -.311E+01 0.363E+01 0.154E+02   0.312E+01 -.363E+01 -.154E+02   -.145E-01 0.101E-01 -.981E-02   0.452E-03 -.285E-03 -.359E-03
   -.163E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.258E+02   -.228E+00 0.176E+00 -.395E-01   0.100E-03 -.713E-04 -.845E-04
   -.234E+02 0.135E+02 0.914E+02   0.241E+02 -.139E+02 -.934E+02   -.631E+00 0.364E+00 0.202E+01   -.237E-04 0.164E-04 -.330E-03
   0.118E+02 -.359E+02 0.467E+02   -.118E+02 0.365E+02 -.470E+02   0.297E-01 -.602E+00 0.297E+00   0.866E-03 -.528E-03 -.110E-03
   0.587E+01 -.135E+02 0.177E+02   -.588E+01 0.136E+02 -.177E+02   -.551E-03 -.697E-01 -.439E-01   0.688E-03 -.199E-03 -.110E-03
   -.656E+00 -.389E+01 0.138E+02   0.652E+00 0.389E+01 -.138E+02   -.826E-04 0.243E-02 -.458E-02   0.449E-03 -.278E-03 -.125E-03
   -.911E+01 0.526E+01 0.156E+02   0.915E+01 -.528E+01 -.155E+02   -.426E-01 0.246E-01 -.152E-01   0.582E-03 -.330E-03 -.180E-03
   -.266E+02 0.342E+01 0.259E+02   0.269E+02 -.352E+01 -.258E+02   -.267E+00 0.109E+00 -.395E-01   0.117E-03 -.452E-04 -.802E-04
   -.226E+02 -.213E+02 0.403E+02   0.227E+02 0.216E+02 -.402E+02   -.759E-01 -.257E+00 -.722E-01   0.180E-03 -.592E-03 0.238E-03
   -.247E+01 -.188E+02 0.226E+02   0.246E+01 0.189E+02 -.225E+02   -.134E-03 -.991E-01 -.418E-01   0.379E-03 -.541E-03 -.186E-04
   0.201E+01 -.116E+01 0.135E+02   -.201E+01 0.116E+01 -.135E+02   -.103E-02 0.595E-03 -.337E-01   0.331E-03 -.188E-03 0.312E-03
   0.304E+01 0.251E+01 0.138E+02   -.304E+01 -.251E+01 -.138E+02   -.214E-02 -.114E-02 -.458E-02   0.468E-03 -.242E-03 -.122E-03
   -.469E+01 0.878E+00 0.154E+02   0.471E+01 -.885E+00 -.154E+02   -.160E-01 0.752E-02 -.981E-02   0.475E-03 -.245E-03 -.352E-03
   -.112E+02 -.507E+01 0.166E+02   0.112E+02 0.508E+01 -.165E+02   -.187E-01 -.787E-02 -.486E-01   0.387E-03 -.331E-03 -.144E-03
   -.621E+01 -.685E+01 0.164E+02   0.621E+01 0.687E+01 -.164E+02   -.222E-02 -.173E-01 -.369E-01   0.161E-03 -.312E-03 0.216E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.299E-03 0.101E+02   -.136E-12 0.110E-12 0.178E-13   -.127E-15 0.694E-17 -.101E+02   -.332E-07 0.199E-07 -.182E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06055     12.33503         0.000000      0.000000     -0.020063
      1.07877      6.50751     13.59665        -0.003420      0.001974      0.001126
      2.62708      5.61359     13.59665         0.003420     -0.001974      0.001126
     -0.00006      0.00003      9.97641         0.005216     -0.003012     -0.009488
     -1.23470      2.13744      9.97660         0.003945     -0.005440     -0.005159
     -2.46975      4.27729      9.98215        -0.003040     -0.000240      0.003942
     -3.70365      6.41632      9.97934         0.001589     -0.000108      0.007105
     -4.93757      8.55500      9.97716         0.002604     -0.002203      0.002815
      2.46939      0.00033      9.97716         0.003209     -0.001154      0.002815
      1.23424      2.13759      9.98058         0.001261     -0.001501      0.001602
     -0.00209      4.27216      9.99449        -0.004048      0.000101     -0.007361
     -1.23792      6.41726     10.00600         0.001471     -0.002675     -0.002177
     -2.46854      8.55554      9.98345        -0.001417      0.000818      0.000807
      4.93850      0.00107      9.97934         0.000888     -0.001322      0.007105
      3.70478      2.13771      9.98816         0.002605     -0.003488      0.000509
      2.47074      4.26988     10.02738        -0.000843     -0.002797      0.001274
      1.22980      6.42031     10.03686         0.003011     -0.001738      0.011043
     -0.00142      8.55894     10.00600         0.003052      0.000064     -0.002177
      7.40791      0.00200      9.98215        -0.001312      0.002753      0.003942
      6.17351      2.13985      9.97905         0.003844     -0.001361      0.007743
      4.94004      4.27820      9.99807         0.003308     -0.001910     -0.008354
      3.71260      6.42084     10.02738         0.002001      0.002129      0.001274
      2.47421      8.56123      9.99449        -0.002111      0.003455     -0.007361
      9.87860      0.00233      9.97660         0.006684     -0.000697     -0.005159
      8.64315      2.14021      9.97644         0.002344     -0.001354     -0.005689
      7.40864      4.27917      9.97905         0.003100     -0.002648      0.007743
      6.17613      6.41821      9.98816         0.004323     -0.000512      0.000509
      4.94096      8.55783      9.98058         0.001931     -0.000342      0.001602
     -0.00077      1.42504      9.97660        -0.006684      0.000697     -0.005159
     -1.23511      3.56327      9.98058        -0.001931      0.000342      0.001602
     -2.47029      5.70288      9.98816        -0.004323      0.000512      0.000509
     -3.70279      7.84193      9.97905        -0.003100      0.002648      0.007743
     -4.93730      9.98088      9.97644        -0.002344      0.001354     -0.005689
      2.46992      1.42537      9.98215         0.001312     -0.002753      0.003942
      1.23164      3.55986      9.99449         0.002111     -0.003455     -0.007361
     -0.00675      5.70026     10.02738        -0.002001     -0.002129      0.001274
     -1.23419      7.84289      9.99807        -0.003308      0.001910     -0.008354
     -2.46766      9.98124      9.97905        -0.003844      0.001361      0.007743
      4.93932      1.42631      9.97934        -0.000888      0.001322      0.007105
      3.70726      3.56215     10.00600        -0.003052     -0.000064     -0.002177
      2.47605      5.70079     10.03686        -0.003011      0.001738      0.011043
      1.23510      7.85122     10.02738         0.000843      0.002797      0.001274
      0.00106      9.98339      9.98816        -0.002605      0.003488      0.000509
      7.40843      1.42704      9.97716        -0.003209      0.001154      0.002815
      6.17438      3.56555      9.98345         0.001417     -0.000818      0.000807
      4.94377      5.70384     10.00600        -0.001471      0.002675     -0.002177
      3.70794      7.84894      9.99449         0.004048     -0.000101     -0.007361
      2.47161      9.98350      9.98058        -0.001261      0.001501      0.001602
      9.87788      1.42734      9.97641        -0.005216      0.003012     -0.009488
      8.64341      3.56609      9.97716        -0.002604      0.002203      0.002815
      7.40949      5.70477      9.97934        -0.001589      0.000108      0.007105
      6.17560      7.84380      9.98215         0.003040      0.000240      0.003942
      4.94054      9.98365      9.97660        -0.003945      0.005440     -0.005159
 -----------------------------------------------------------------------------------
    total drift:                               -0.001810      0.000299     -0.005307


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




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


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  150.42: CPU time   75.26
     LOOP+:  VPU time 4066.00: CPU time 2077.44


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


    POTLOK:  VPU time    7.76: CPU time    7.71
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1131.21: CPU time  583.13
 BZINTS: Fermi energy: -3.211255;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.90: CPU time   45.32
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1229.33: CPU time  636.58

 eigenvalue-minimisations  :  4136
 total energy-change (2. order) :-0.4717266E+03  (-0.2239350E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9566402 magnetization   -0.0000030

 Broyden mixing:
  rms(total) = 0.27287E-03    rms(broyden)= 0.27282E-03
  rms(prec ) = 0.30365E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34052.28485416
  -1/2 Hartree   DENC   =    -40942.82152925
  -V(xc)+E(xc)   XCENC  =       726.49425212
  PAW double counting   =      4092.16920392    -4130.49114710
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.80207355
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72658609 eV

  energy without entropy =     -471.72658609  energy(sigma->0) =     -471.72658609


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




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


    POTLOK:  VPU time    7.70: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1107.42: CPU time  566.38
 BZINTS: Fermi energy: -3.211227;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1115.45: CPU time  574.40

 eigenvalue-minimisations  :  4008
 total energy-change (2. order) : 0.1228364E-06  (-0.3647739E-06)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9566402 magnetization   -0.0000030

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34052.28485416
  -1/2 Hartree   DENC   =    -40942.85066003
  -V(xc)+E(xc)   XCENC  =       726.49513705
  PAW double counting   =      4092.19519059    -4130.51727891
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.77368242
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72658596 eV

  energy without entropy =     -471.72658596  energy(sigma->0) =     -471.72658596


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2080       2 -39.5440       3 -39.5440       4 -58.3173       5 -58.3210
       6 -58.3237       7 -58.3185       8 -58.3188       9 -58.3188      10 -58.3247
      11 -58.3906      12 -58.3551      13 -58.3268      14 -58.3185      15 -58.3282
      16 -58.5435      17 -58.7298      18 -58.3551      19 -58.3237      20 -58.3237
      21 -58.3615      22 -58.5435      23 -58.3906      24 -58.3210      25 -58.3265
      26 -58.3237      27 -58.3282      28 -58.3248      29 -58.3209      30 -58.3246
      31 -58.3281      32 -58.3236      33 -58.3264      34 -58.3236      35 -58.3905
      36 -58.5434      37 -58.3614      38 -58.3236      39 -58.3184      40 -58.3550
      41 -58.7297      42 -58.5434      43 -58.3281      44 -58.3187      45 -58.3266
      46 -58.3550      47 -58.3905      48 -58.3246      49 -58.3172      50 -58.3187
      51 -58.3184      52 -58.3236      53 -58.3209
 
 
 
 E-fermi :  -3.2112     XC(G=0):  -2.3475     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     -22.4243      1.00000
      2     -21.5996      1.00000
      3     -21.4804      1.00000
      4     -21.4714      1.00000
      5     -21.4394      1.00000
      6     -21.4389      1.00000
      7     -21.4283      1.00000
      8     -19.7049      1.00000
      9     -19.6510      1.00000
     10     -19.6289      1.00000
     11     -19.6174      1.00000
     12     -19.6128      1.00000
     13     -19.6112      1.00000
     14     -18.7882      1.00000
     15     -18.7528      1.00000
     16     -18.7346      1.00000
     17     -18.7252      1.00000
     18     -18.7171      1.00000
     19     -18.7130      1.00000
     20     -16.6353      1.00000
     21     -16.6083      1.00000
     22     -16.5852      1.00000
     23     -16.5827      1.00000
     24     -16.5538      1.00000
     25     -16.5533      1.00000
     26     -15.6131      1.00000
     27     -15.6009      1.00000
     28     -15.5978      1.00000
     29     -15.5645      1.00000
     30     -15.5630      1.00000
     31     -15.5615      1.00000
     32     -14.2588      1.00000
     33     -14.2503      1.00000
     34     -14.2414      1.00000
     35     -14.2360      1.00000
     36     -14.2223      1.00000
     37     -14.2193      1.00000
     38     -11.9054      1.00000
     39     -11.8796      1.00000
     40     -11.8685      1.00000
     41     -11.8665      1.00000
     42     -11.8465      1.00000
     43     -11.8460      1.00000
     44     -11.7706      1.00000
     45     -11.7697      1.00000
     46     -11.7343      1.00000
     47     -11.7286      1.00000
     48     -11.7265      1.00000
     49     -11.7211      1.00000
     50     -10.6715      1.00000
     51     -10.3877      1.00000
     52     -10.3835      1.00000
     53     -10.3770      1.00000
     54     -10.3684      1.00000
     55     -10.3563      1.00000
     56     -10.3536      1.00000
     57      -9.8999      1.00000
     58      -9.4479      1.00000
     59      -9.4047      1.00000
     60      -9.3616      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1414      1.00000
     64      -9.1252      1.00000
     65      -9.1213      1.00000
     66      -9.0864      1.00000
     67      -9.0717      1.00000
     68      -9.0714      1.00000
     69      -9.0700      1.00000
     70      -9.0678      1.00000
     71      -9.0644      1.00000
     72      -9.0410      1.00000
     73      -9.0299      1.00000
     74      -9.0270      1.00000
     75      -8.1376      1.00000
     76      -7.7329      1.00000
     77      -7.4714      1.00000
     78      -7.4665      1.00000
     79      -7.4562      1.00000
     80      -7.4360      1.00000
     81      -7.4246      1.00000
     82      -7.4090      1.00000
     83      -7.3118      1.00000
     84      -7.2696      1.00000
     85      -7.2573      1.00000
     86      -7.2487      1.00000
     87      -7.1574      1.00000
     88      -7.0465      1.00000
     89      -6.4471      1.00000
     90      -6.4154      1.00000
     91      -6.4003      1.00000
     92      -6.3633      1.00000
     93      -6.3535      1.00000
     94      -6.3405      1.00000
     95      -5.9629      1.00000
     96      -5.9583      1.00000
     97      -4.7973      1.00000
     98      -4.5409      1.00000
     99      -4.4815      1.00000
    100      -4.4725      1.00000
    101      -4.3832      1.00000
    102      -4.3829      1.00000
    103      -4.2672      1.00000
    104      -4.1854      1.00000
    105      -3.7353      1.00000
    106      -3.4709      1.00000
    107      -1.8607      0.00000
    108      -1.6750      0.00000
    109      -1.6264      0.00000
    110      -1.5941      0.00000
    111      -1.5792      0.00000
    112      -1.5783      0.00000
    113      -0.4288      0.00000
    114       0.1403      0.00000
    115       0.1889      0.00000
    116       0.2517      0.00000
    117       0.2649      0.00000
    118       0.2675      0.00000
    119       0.4709      0.00000
    120       0.5438      0.00000
    121       1.2409      0.00000
    122       1.2864      0.00000
    123       1.5202      0.00000
    124       1.7686      0.00000
    125       1.7713      0.00000
    126       1.7716      0.00000
    127       1.8040      0.00000
    128       1.8268      0.00000
    129       1.9538      0.00000
    130       1.9642      0.00000
    131       1.9697      0.00000
    132       1.9845      0.00000
    133       1.9916      0.00000
    134       2.0712      0.00000
    135       2.2417      0.00000
    136       2.3386      0.00000
    137       2.6015      0.00000
    138       2.6034      0.00000
    139       2.6287      0.00000
    140       2.6996      0.00000
    141       2.9343      0.00000
    142       3.0487      0.00000
    143       3.0686      0.00000
    144       3.1026      0.00000
    145       3.1027      0.00000
    146       3.1076      0.00000
    147       3.1083      0.00000
    148       3.2650      0.00000
    149       3.4471      0.00000
    150       3.4992      0.00000
    151       3.8167      0.00000
    152       3.9438      0.00000
    153       3.9461      0.00000
    154       3.9494      0.00000
    155       3.9526      0.00000
    156       3.9941      0.00000
    157       4.1901      0.00000
    158       4.2601      0.00000
    159       4.2780      0.00000
    160       4.2822      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3876      1.00000
      2     -21.8285      1.00000
      3     -21.6362      1.00000
      4     -21.6092      1.00000
      5     -21.2727      1.00000
      6     -21.2342      1.00000
      7     -21.0557      1.00000
      8     -20.1661      1.00000
      9     -20.1288      1.00000
     10     -19.6072      1.00000
     11     -19.5962      1.00000
     12     -19.4165      1.00000
     13     -19.0884      1.00000
     14     -19.0586      1.00000
     15     -19.0486      1.00000
     16     -19.0410      1.00000
     17     -18.3600      1.00000
     18     -18.3513      1.00000
     19     -18.0192      1.00000
     20     -17.0691      1.00000
     21     -17.0311      1.00000
     22     -16.9451      1.00000
     23     -16.9389      1.00000
     24     -16.4681      1.00000
     25     -16.4623      1.00000
     26     -15.6128      1.00000
     27     -15.6065      1.00000
     28     -15.2525      1.00000
     29     -15.2440      1.00000
     30     -15.1849      1.00000
     31     -15.0979      1.00000
     32     -15.0716      1.00000
     33     -14.6982      1.00000
     34     -14.6958      1.00000
     35     -13.7269      1.00000
     36     -13.7233      1.00000
     37     -13.2368      1.00000
     38     -12.6150      1.00000
     39     -12.5854      1.00000
     40     -12.4547      1.00000
     41     -12.4500      1.00000
     42     -12.1106      1.00000
     43     -12.1050      1.00000
     44     -11.7160      1.00000
     45     -11.6854      1.00000
     46     -11.2354      1.00000
     47     -11.2271      1.00000
     48     -11.0187      1.00000
     49     -11.0102      1.00000
     50     -10.9261      1.00000
     51     -10.9047      1.00000
     52     -10.6260      1.00000
     53     -10.1566      1.00000
     54     -10.1503      1.00000
     55     -10.0935      1.00000
     56      -9.9959      1.00000
     57      -9.7023      1.00000
     58      -9.6962      1.00000
     59      -9.6551      1.00000
     60      -9.5917      1.00000
     61      -9.5765      1.00000
     62      -9.5590      1.00000
     63      -9.3098      1.00000
     64      -9.3037      1.00000
     65      -9.2730      1.00000
     66      -9.2355      1.00000
     67      -9.1354      1.00000
     68      -9.1188      1.00000
     69      -9.1105      1.00000
     70      -8.9389      1.00000
     71      -8.8715      1.00000
     72      -8.6057      1.00000
     73      -8.5918      1.00000
     74      -8.2394      1.00000
     75      -8.1034      1.00000
     76      -7.9090      1.00000
     77      -7.8638      1.00000
     78      -7.7741      1.00000
     79      -7.7587      1.00000
     80      -7.6963      1.00000
     81      -7.5539      1.00000
     82      -7.3413      1.00000
     83      -7.3246      1.00000
     84      -7.2052      1.00000
     85      -7.1219      1.00000
     86      -7.0330      1.00000
     87      -7.0129      1.00000
     88      -6.7045      1.00000
     89      -6.6786      1.00000
     90      -6.6417      1.00000
     91      -6.5975      1.00000
     92      -6.1193      1.00000
     93      -6.0624      1.00000
     94      -6.0320      1.00000
     95      -6.0111      1.00000
     96      -5.7836      1.00000
     97      -4.9694      1.00000
     98      -4.8311      1.00000
     99      -4.7471      1.00000
    100      -4.6801      1.00000
    101      -4.4633      1.00000
    102      -4.2004      1.00000
    103      -4.1707      1.00000
    104      -4.1284      1.00000
    105      -3.7259      1.00000
    106      -3.4809      1.00000
    107      -1.8712      0.00000
    108      -1.8128      0.00000
    109      -1.5251      0.00000
    110      -1.3805      0.00000
    111      -1.3247      0.00000
    112      -1.2913      0.00000
    113      -0.7219      0.00000
    114      -0.3784      0.00000
    115      -0.2533      0.00000
    116       0.0325      0.00000
    117       0.5505      0.00000
    118       0.6948      0.00000
    119       0.7418      0.00000
    120       1.0432      0.00000
    121       1.0953      0.00000
    122       1.1449      0.00000
    123       1.2222      0.00000
    124       1.3739      0.00000
    125       1.5150      0.00000
    126       1.5733      0.00000
    127       1.7123      0.00000
    128       1.8149      0.00000
    129       1.8541      0.00000
    130       1.8771      0.00000
    131       2.0909      0.00000
    132       2.1804      0.00000
    133       2.2362      0.00000
    134       2.2995      0.00000
    135       2.5068      0.00000
    136       2.5814      0.00000
    137       2.6421      0.00000
    138       2.7721      0.00000
    139       2.7903      0.00000
    140       2.8216      0.00000
    141       2.8647      0.00000
    142       2.8928      0.00000
    143       2.9462      0.00000
    144       3.0721      0.00000
    145       3.1476      0.00000
    146       3.3131      0.00000
    147       3.3868      0.00000
    148       3.4321      0.00000
    149       3.4599      0.00000
    150       3.6096      0.00000
    151       3.6432      0.00000
    152       3.6627      0.00000
    153       3.7062      0.00000
    154       3.9034      0.00000
    155       3.9586      0.00000
    156       4.0113      0.00000
    157       4.0682      0.00000
    158       4.2279      0.00000
    159       4.2437      0.00000
    160       4.2745      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0763      1.00000
      3     -21.7145      1.00000
      4     -21.6836      1.00000
      5     -20.9775      1.00000
      6     -20.9379      1.00000
      7     -20.6101      1.00000
      8     -20.5742      1.00000
      9     -20.5682      1.00000
     10     -20.0318      1.00000
     11     -19.5020      1.00000
     12     -19.4904      1.00000
     13     -19.3057      1.00000
     14     -19.3004      1.00000
     15     -18.4469      1.00000
     16     -18.4110      1.00000
     17     -17.9220      1.00000
     18     -17.9120      1.00000
     19     -17.7612      1.00000
     20     -17.7262      1.00000
     21     -17.4362      1.00000
     22     -17.4276      1.00000
     23     -17.3418      1.00000
     24     -16.4624      1.00000
     25     -16.4610      1.00000
     26     -15.9665      1.00000
     27     -15.4129      1.00000
     28     -15.4083      1.00000
     29     -15.0954      1.00000
     30     -15.0929      1.00000
     31     -14.8560      1.00000
     32     -14.8484      1.00000
     33     -14.2907      1.00000
     34     -14.2585      1.00000
     35     -13.4374      1.00000
     36     -13.4054      1.00000
     37     -13.1782      1.00000
     38     -13.1736      1.00000
     39     -12.9810      1.00000
     40     -12.9761      1.00000
     41     -12.6144      1.00000
     42     -12.6094      1.00000
     43     -12.1992      1.00000
     44     -11.5753      1.00000
     45     -11.5419      1.00000
     46     -11.3096      1.00000
     47     -11.2869      1.00000
     48     -11.1437      1.00000
     49     -10.6751      1.00000
     50     -10.6616      1.00000
     51     -10.5485      1.00000
     52     -10.3257      1.00000
     53     -10.3174      1.00000
     54     -10.1692      1.00000
     55     -10.1166      1.00000
     56     -10.1119      1.00000
     57      -9.7962      1.00000
     58      -9.7673      1.00000
     59      -9.7509      1.00000
     60      -9.7012      1.00000
     61      -9.6989      1.00000
     62      -9.6604      1.00000
     63      -9.3577      1.00000
     64      -9.3505      1.00000
     65      -9.3148      1.00000
     66      -9.0393      1.00000
     67      -8.9648      1.00000
     68      -8.9498      1.00000
     69      -8.7979      1.00000
     70      -8.5935      1.00000
     71      -8.5581      1.00000
     72      -8.3967      1.00000
     73      -8.3644      1.00000
     74      -8.3257      1.00000
     75      -8.3081      1.00000
     76      -8.2611      1.00000
     77      -8.2579      1.00000
     78      -8.2365      1.00000
     79      -7.9087      1.00000
     80      -7.6525      1.00000
     81      -7.5435      1.00000
     82      -7.3882      1.00000
     83      -7.3514      1.00000
     84      -7.2341      1.00000
     85      -7.0983      1.00000
     86      -7.0377      1.00000
     87      -6.9348      1.00000
     88      -6.8469      1.00000
     89      -6.6133      1.00000
     90      -6.5622      1.00000
     91      -6.2707      1.00000
     92      -6.0429      1.00000
     93      -5.9519      1.00000
     94      -5.6629      1.00000
     95      -5.6222      1.00000
     96      -5.4613      1.00000
     97      -5.3201      1.00000
     98      -5.2793      1.00000
     99      -5.2150      1.00000
    100      -5.1939      1.00000
    101      -4.5005      1.00000
    102      -4.2038      1.00000
    103      -4.0560      1.00000
    104      -3.9896      1.00000
    105      -3.6917      1.00000
    106      -3.4910      1.00000
    107      -1.9480      0.00000
    108      -1.9005      0.00000
    109      -1.3379      0.00000
    110      -1.0878      0.00000
    111      -1.0613      0.00000
    112      -0.8030      0.00000
    113      -0.6806      0.00000
    114      -0.6500      0.00000
    115      -0.6107      0.00000
    116      -0.1116      0.00000
    117       0.2114      0.00000
    118       0.3242      0.00000
    119       0.6901      0.00000
    120       0.8811      0.00000
    121       1.1212      0.00000
    122       1.1946      0.00000
    123       1.3221      0.00000
    124       1.4145      0.00000
    125       1.5501      0.00000
    126       1.5715      0.00000
    127       1.6739      0.00000
    128       1.8050      0.00000
    129       1.8720      0.00000
    130       2.0490      0.00000
    131       2.1248      0.00000
    132       2.3272      0.00000
    133       2.3562      0.00000
    134       2.3913      0.00000
    135       2.5357      0.00000
    136       2.6269      0.00000
    137       2.7239      0.00000
    138       2.7627      0.00000
    139       2.8277      0.00000
    140       2.8763      0.00000
    141       3.0396      0.00000
    142       3.0506      0.00000
    143       3.1567      0.00000
    144       3.2593      0.00000
    145       3.3546      0.00000
    146       3.4104      0.00000
    147       3.4290      0.00000
    148       3.5584      0.00000
    149       3.5751      0.00000
    150       3.5909      0.00000
    151       3.6528      0.00000
    152       3.6702      0.00000
    153       3.7762      0.00000
    154       3.7966      0.00000
    155       3.8100      0.00000
    156       3.8922      0.00000
    157       3.9161      0.00000
    158       3.9960      0.00000
    159       4.2081      0.00000
    160       4.2235      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3155      1.00000
      2     -21.9607      1.00000
      3     -21.8924      1.00000
      4     -21.3789      1.00000
      5     -21.3504      1.00000
      6     -20.8383      1.00000
      7     -20.7736      1.00000
      8     -20.6232      1.00000
      9     -20.0760      1.00000
     10     -20.0705      1.00000
     11     -19.7157      1.00000
     12     -19.6918      1.00000
     13     -18.9953      1.00000
     14     -18.9898      1.00000
     15     -18.6389      1.00000
     16     -18.6234      1.00000
     17     -18.4624      1.00000
     18     -17.6752      1.00000
     19     -17.6258      1.00000
     20     -17.6228      1.00000
     21     -17.5812      1.00000
     22     -17.1259      1.00000
     23     -17.1048      1.00000
     24     -16.9607      1.00000
     25     -16.0009      1.00000
     26     -15.9280      1.00000
     27     -15.5854      1.00000
     28     -15.5853      1.00000
     29     -15.2875      1.00000
     30     -14.8636      1.00000
     31     -14.8368      1.00000
     32     -14.5803      1.00000
     33     -14.5388      1.00000
     34     -14.1676      1.00000
     35     -14.1538      1.00000
     36     -13.1485      1.00000
     37     -13.1006      1.00000
     38     -13.0311      1.00000
     39     -13.0218      1.00000
     40     -12.7104      1.00000
     41     -12.7065      1.00000
     42     -12.3402      1.00000
     43     -12.3090      1.00000
     44     -11.6349      1.00000
     45     -11.6220      1.00000
     46     -11.5715      1.00000
     47     -10.9486      1.00000
     48     -10.9158      1.00000
     49     -10.6307      1.00000
     50     -10.6262      1.00000
     51     -10.5461      1.00000
     52     -10.4987      1.00000
     53     -10.4979      1.00000
     54     -10.4413      1.00000
     55     -10.3632      1.00000
     56     -10.0970      1.00000
     57      -9.9023      1.00000
     58      -9.6115      1.00000
     59      -9.5596      1.00000
     60      -9.4519      1.00000
     61      -9.4118      1.00000
     62      -9.4045      1.00000
     63      -9.3798      1.00000
     64      -9.3791      1.00000
     65      -9.2855      1.00000
     66      -9.1680      1.00000
     67      -9.1432      1.00000
     68      -9.1149      1.00000
     69      -8.8636      1.00000
     70      -8.8567      1.00000
     71      -8.8149      1.00000
     72      -8.5963      1.00000
     73      -8.4797      1.00000
     74      -8.1991      1.00000
     75      -8.1635      1.00000
     76      -8.0131      1.00000
     77      -7.9572      1.00000
     78      -7.8535      1.00000
     79      -7.8435      1.00000
     80      -7.7080      1.00000
     81      -7.6988      1.00000
     82      -7.6249      1.00000
     83      -7.4455      1.00000
     84      -7.3059      1.00000
     85      -7.2483      1.00000
     86      -6.9073      1.00000
     87      -6.8936      1.00000
     88      -6.5891      1.00000
     89      -6.5508      1.00000
     90      -6.4106      1.00000
     91      -6.2531      1.00000
     92      -6.2323      1.00000
     93      -6.2053      1.00000
     94      -6.0233      1.00000
     95      -5.5496      1.00000
     96      -5.4890      1.00000
     97      -5.3495      1.00000
     98      -5.2210      1.00000
     99      -4.9792      1.00000
    100      -4.7291      1.00000
    101      -4.6772      1.00000
    102      -4.3843      1.00000
    103      -4.1992      1.00000
    104      -3.8651      1.00000
    105      -3.5466      1.00000
    106      -3.5022      1.00000
    107      -2.2600      0.00000
    108      -1.4551      0.00000
    109      -1.3748      0.00000
    110      -1.2451      0.00000
    111      -1.0997      0.00000
    112      -0.9482      0.00000
    113      -0.8669      0.00000
    114      -0.8068      0.00000
    115      -0.1427      0.00000
    116       0.1063      0.00000
    117       0.2381      0.00000
    118       0.3731      0.00000
    119       0.6480      0.00000
    120       0.8310      0.00000
    121       0.9320      0.00000
    122       1.0574      0.00000
    123       1.2299      0.00000
    124       1.4387      0.00000
    125       1.5457      0.00000
    126       1.7614      0.00000
    127       1.7869      0.00000
    128       1.8686      0.00000
    129       1.9632      0.00000
    130       2.0397      0.00000
    131       2.1696      0.00000
    132       2.1898      0.00000
    133       2.4046      0.00000
    134       2.4650      0.00000
    135       2.5318      0.00000
    136       2.5999      0.00000
    137       2.6352      0.00000
    138       2.6918      0.00000
    139       2.7685      0.00000
    140       2.8280      0.00000
    141       2.9440      0.00000
    142       3.0743      0.00000
    143       3.1935      0.00000
    144       3.2121      0.00000
    145       3.2599      0.00000
    146       3.3164      0.00000
    147       3.3220      0.00000
    148       3.4635      0.00000
    149       3.4927      0.00000
    150       3.6936      0.00000
    151       3.7071      0.00000
    152       3.7261      0.00000
    153       3.8538      0.00000
    154       3.9102      0.00000
    155       3.9354      0.00000
    156       3.9734      0.00000
    157       4.0120      0.00000
    158       4.0277      0.00000
    159       4.0423      0.00000
    160       4.0616      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1162      1.00000
      3     -21.9553      1.00000
      4     -21.4028      1.00000
      5     -21.0481      1.00000
      6     -21.0130      1.00000
      7     -20.4990      1.00000
      8     -20.4604      1.00000
      9     -20.2939      1.00000
     10     -20.2750      1.00000
     11     -19.9562      1.00000
     12     -19.8907      1.00000
     13     -18.8813      1.00000
     14     -18.8128      1.00000
     15     -18.3521      1.00000
     16     -18.3069      1.00000
     17     -18.1527      1.00000
     18     -18.1355      1.00000
     19     -17.8264      1.00000
     20     -17.7895      1.00000
     21     -17.2524      1.00000
     22     -17.2409      1.00000
     23     -17.1660      1.00000
     24     -17.1323      1.00000
     25     -16.1093      1.00000
     26     -15.8842      1.00000
     27     -15.8695      1.00000
     28     -15.8342      1.00000
     29     -15.2378      1.00000
     30     -14.5543      1.00000
     31     -14.5271      1.00000
     32     -14.2816      1.00000
     33     -13.9651      1.00000
     34     -13.9567      1.00000
     35     -13.8219      1.00000
     36     -13.8050      1.00000
     37     -13.6148      1.00000
     38     -13.5716      1.00000
     39     -13.3688      1.00000
     40     -12.6340      1.00000
     41     -12.1812      1.00000
     42     -12.1338      1.00000
     43     -12.0714      1.00000
     44     -12.0189      1.00000
     45     -11.6713      1.00000
     46     -11.6580      1.00000
     47     -11.1391      1.00000
     48     -11.1191      1.00000
     49     -10.7942      1.00000
     50     -10.7302      1.00000
     51     -10.5228      1.00000
     52     -10.2115      1.00000
     53     -10.2053      1.00000
     54     -10.1634      1.00000
     55     -10.0190      1.00000
     56     -10.0038      1.00000
     57      -9.9904      1.00000
     58      -9.8032      1.00000
     59      -9.7989      1.00000
     60      -9.7638      1.00000
     61      -9.7591      1.00000
     62      -9.4541      1.00000
     63      -9.4152      1.00000
     64      -9.0784      1.00000
     65      -9.0747      1.00000
     66      -9.0422      1.00000
     67      -8.9561      1.00000
     68      -8.8762      1.00000
     69      -8.7139      1.00000
     70      -8.7017      1.00000
     71      -8.5657      1.00000
     72      -8.5433      1.00000
     73      -8.4986      1.00000
     74      -8.4650      1.00000
     75      -8.4545      1.00000
     76      -8.2586      1.00000
     77      -8.1253      1.00000
     78      -8.0422      1.00000
     79      -7.9176      1.00000
     80      -7.8621      1.00000
     81      -7.6166      1.00000
     82      -7.5486      1.00000
     83      -7.4960      1.00000
     84      -7.2627      1.00000
     85      -6.9976      1.00000
     86      -6.9265      1.00000
     87      -6.8852      1.00000
     88      -6.5338      1.00000
     89      -6.4878      1.00000
     90      -6.4615      1.00000
     91      -6.4100      1.00000
     92      -5.9829      1.00000
     93      -5.8974      1.00000
     94      -5.7853      1.00000
     95      -5.7594      1.00000
     96      -5.4304      1.00000
     97      -5.3290      1.00000
     98      -5.2312      1.00000
     99      -5.2185      1.00000
    100      -5.1884      1.00000
    101      -4.6895      1.00000
    102      -4.4169      1.00000
    103      -4.2055      1.00000
    104      -3.8274      1.00000
    105      -3.5214      1.00000
    106      -3.2756      1.00000
    107      -2.5343      0.00000
    108      -1.4568      0.00000
    109      -1.2703      0.00000
    110      -1.2059      0.00000
    111      -1.1754      0.00000
    112      -0.7216      0.00000
    113      -0.5071      0.00000
    114      -0.4153      0.00000
    115      -0.3425      0.00000
    116      -0.1495      0.00000
    117      -0.0068      0.00000
    118       0.1890      0.00000
    119       0.5566      0.00000
    120       0.6082      0.00000
    121       0.7931      0.00000
    122       0.9004      0.00000
    123       1.1273      0.00000
    124       1.4856      0.00000
    125       1.6284      0.00000
    126       1.8419      0.00000
    127       1.9214      0.00000
    128       2.0996      0.00000
    129       2.1092      0.00000
    130       2.1558      0.00000
    131       2.1893      0.00000
    132       2.2750      0.00000
    133       2.3378      0.00000
    134       2.4704      0.00000
    135       2.5779      0.00000
    136       2.6515      0.00000
    137       2.8482      0.00000
    138       2.8652      0.00000
    139       2.8876      0.00000
    140       3.0037      0.00000
    141       3.0171      0.00000
    142       3.1356      0.00000
    143       3.1843      0.00000
    144       3.2254      0.00000
    145       3.2679      0.00000
    146       3.2797      0.00000
    147       3.2965      0.00000
    148       3.3415      0.00000
    149       3.4195      0.00000
    150       3.4449      0.00000
    151       3.5475      0.00000
    152       3.6213      0.00000
    153       3.7116      0.00000
    154       3.7339      0.00000
    155       3.7660      0.00000
    156       3.8918      0.00000
    157       3.9307      0.00000
    158       3.9977      0.00000
    159       4.1223      0.00000
    160       4.2158      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3153      1.00000
      2     -21.9624      1.00000
      3     -21.8908      1.00000
      4     -21.3828      1.00000
      5     -21.3472      1.00000
      6     -20.8379      1.00000
      7     -20.7718      1.00000
      8     -20.6235      1.00000
      9     -20.0883      1.00000
     10     -20.0602      1.00000
     11     -19.7171      1.00000
     12     -19.6889      1.00000
     13     -19.0087      1.00000
     14     -18.9783      1.00000
     15     -18.6492      1.00000
     16     -18.6171      1.00000
     17     -18.4597      1.00000
     18     -17.6599      1.00000
     19     -17.6457      1.00000
     20     -17.6103      1.00000
     21     -17.5773      1.00000
     22     -17.1371      1.00000
     23     -17.0977      1.00000
     24     -16.9669      1.00000
     25     -16.0093      1.00000
     26     -15.9223      1.00000
     27     -15.5980      1.00000
     28     -15.5751      1.00000
     29     -15.2798      1.00000
     30     -14.8763      1.00000
     31     -14.8301      1.00000
     32     -14.5748      1.00000
     33     -14.5366      1.00000
     34     -14.1650      1.00000
     35     -14.1601      1.00000
     36     -13.1627      1.00000
     37     -13.0953      1.00000
     38     -13.0227      1.00000
     39     -13.0188      1.00000
     40     -12.7177      1.00000
     41     -12.6949      1.00000
     42     -12.3407      1.00000
     43     -12.3133      1.00000
     44     -11.6332      1.00000
     45     -11.6237      1.00000
     46     -11.5701      1.00000
     47     -10.9417      1.00000
     48     -10.9232      1.00000
     49     -10.6654      1.00000
     50     -10.5907      1.00000
     51     -10.5725      1.00000
     52     -10.5027      1.00000
     53     -10.4882      1.00000
     54     -10.4404      1.00000
     55     -10.3555      1.00000
     56     -10.1013      1.00000
     57      -9.8965      1.00000
     58      -9.6081      1.00000
     59      -9.5505      1.00000
     60      -9.4521      1.00000
     61      -9.4212      1.00000
     62      -9.4086      1.00000
     63      -9.3799      1.00000
     64      -9.3721      1.00000
     65      -9.2663      1.00000
     66      -9.1671      1.00000
     67      -9.1435      1.00000
     68      -9.1169      1.00000
     69      -8.8678      1.00000
     70      -8.8613      1.00000
     71      -8.8016      1.00000
     72      -8.5950      1.00000
     73      -8.5246      1.00000
     74      -8.1951      1.00000
     75      -8.1720      1.00000
     76      -8.0787      1.00000
     77      -7.8588      1.00000
     78      -7.8374      1.00000
     79      -7.8207      1.00000
     80      -7.7121      1.00000
     81      -7.6975      1.00000
     82      -7.6016      1.00000
     83      -7.5246      1.00000
     84      -7.3520      1.00000
     85      -7.1660      1.00000
     86      -6.9077      1.00000
     87      -6.8975      1.00000
     88      -6.5938      1.00000
     89      -6.5509      1.00000
     90      -6.4071      1.00000
     91      -6.3024      1.00000
     92      -6.2481      1.00000
     93      -6.2041      1.00000
     94      -6.0033      1.00000
     95      -5.5309      1.00000
     96      -5.4652      1.00000
     97      -5.3133      1.00000
     98      -5.2099      1.00000
     99      -5.0453      1.00000
    100      -4.7224      1.00000
    101      -4.6706      1.00000
    102      -4.4189      1.00000
    103      -4.1917      1.00000
    104      -3.8367      1.00000
    105      -3.6317      1.00000
    106      -3.4140      1.00000
    107      -2.2941      0.00000
    108      -1.5088      0.00000
    109      -1.2729      0.00000
    110      -1.2663      0.00000
    111      -1.0366      0.00000
    112      -0.9811      0.00000
    113      -0.8712      0.00000
    114      -0.8031      0.00000
    115      -0.2637      0.00000
    116       0.2001      0.00000
    117       0.2354      0.00000
    118       0.3551      0.00000
    119       0.6856      0.00000
    120       0.8896      0.00000
    121       0.9193      0.00000
    122       1.0363      0.00000
    123       1.1606      0.00000
    124       1.5032      0.00000
    125       1.5542      0.00000
    126       1.7015      0.00000
    127       1.7749      0.00000
    128       1.8285      0.00000
    129       1.9630      0.00000
    130       1.9797      0.00000
    131       2.1805      0.00000
    132       2.2538      0.00000
    133       2.4077      0.00000
    134       2.4702      0.00000
    135       2.5327      0.00000
    136       2.5950      0.00000
    137       2.6136      0.00000
    138       2.6953      0.00000
    139       2.7488      0.00000
    140       2.8544      0.00000
    141       3.0304      0.00000
    142       3.0734      0.00000
    143       3.1873      0.00000
    144       3.2434      0.00000
    145       3.2623      0.00000
    146       3.2926      0.00000
    147       3.3434      0.00000
    148       3.4474      0.00000
    149       3.5156      0.00000
    150       3.6887      0.00000
    151       3.7116      0.00000
    152       3.7486      0.00000
    153       3.8265      0.00000
    154       3.8873      0.00000
    155       3.9236      0.00000
    156       3.9722      0.00000
    157       4.0025      0.00000
    158       4.0394      0.00000
    159       4.0438      0.00000
    160       4.0867      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3875      1.00000
      2     -21.8287      1.00000
      3     -21.6395      1.00000
      4     -21.6054      1.00000
      5     -21.2770      1.00000
      6     -21.2308      1.00000
      7     -21.0549      1.00000
      8     -20.1696      1.00000
      9     -20.1244      1.00000
     10     -19.6161      1.00000
     11     -19.5905      1.00000
     12     -19.4140      1.00000
     13     -19.0931      1.00000
     14     -19.0554      1.00000
     15     -19.0511      1.00000
     16     -19.0381      1.00000
     17     -18.3663      1.00000
     18     -18.3470      1.00000
     19     -18.0152      1.00000
     20     -17.0709      1.00000
     21     -17.0229      1.00000
     22     -16.9498      1.00000
     23     -16.9363      1.00000
     24     -16.4762      1.00000
     25     -16.4642      1.00000
     26     -15.6094      1.00000
     27     -15.6089      1.00000
     28     -15.2491      1.00000
     29     -15.2373      1.00000
     30     -15.1900      1.00000
     31     -15.1004      1.00000
     32     -15.0681      1.00000
     33     -14.6989      1.00000
     34     -14.6980      1.00000
     35     -13.7256      1.00000
     36     -13.7255      1.00000
     37     -13.2341      1.00000
     38     -12.6240      1.00000
     39     -12.5809      1.00000
     40     -12.4535      1.00000
     41     -12.4482      1.00000
     42     -12.1058      1.00000
     43     -12.1010      1.00000
     44     -11.7229      1.00000
     45     -11.6849      1.00000
     46     -11.2465      1.00000
     47     -11.2267      1.00000
     48     -11.0166      1.00000
     49     -11.0050      1.00000
     50     -10.9283      1.00000
     51     -10.9001      1.00000
     52     -10.6321      1.00000
     53     -10.1716      1.00000
     54     -10.1491      1.00000
     55     -10.0851      1.00000
     56      -9.9880      1.00000
     57      -9.6959      1.00000
     58      -9.6887      1.00000
     59      -9.6696      1.00000
     60      -9.5942      1.00000
     61      -9.5702      1.00000
     62      -9.5524      1.00000
     63      -9.3119      1.00000
     64      -9.2995      1.00000
     65      -9.2812      1.00000
     66      -9.2466      1.00000
     67      -9.1212      1.00000
     68      -9.1120      1.00000
     69      -9.1104      1.00000
     70      -8.9382      1.00000
     71      -8.8789      1.00000
     72      -8.6074      1.00000
     73      -8.5889      1.00000
     74      -8.2723      1.00000
     75      -8.1009      1.00000
     76      -7.8713      1.00000
     77      -7.8430      1.00000
     78      -7.7907      1.00000
     79      -7.7655      1.00000
     80      -7.7561      1.00000
     81      -7.4395      1.00000
     82      -7.3348      1.00000
     83      -7.3236      1.00000
     84      -7.2657      1.00000
     85      -7.1670      1.00000
     86      -7.0191      1.00000
     87      -6.9859      1.00000
     88      -6.7174      1.00000
     89      -6.6928      1.00000
     90      -6.6312      1.00000
     91      -6.5901      1.00000
     92      -6.1175      1.00000
     93      -6.0605      1.00000
     94      -6.0453      1.00000
     95      -6.0313      1.00000
     96      -5.7475      1.00000
     97      -4.9697      1.00000
     98      -4.8385      1.00000
     99      -4.7092      1.00000
    100      -4.6736      1.00000
    101      -4.4794      1.00000
    102      -4.3468      1.00000
    103      -4.1128      1.00000
    104      -4.0555      1.00000
    105      -3.7510      1.00000
    106      -3.4594      1.00000
    107      -1.9500      0.00000
    108      -1.7740      0.00000
    109      -1.4826      0.00000
    110      -1.3583      0.00000
    111      -1.3397      0.00000
    112      -1.2954      0.00000
    113      -0.6810      0.00000
    114      -0.4730      0.00000
    115      -0.2389      0.00000
    116       0.0470      0.00000
    117       0.5823      0.00000
    118       0.6889      0.00000
    119       0.7644      0.00000
    120       1.0152      0.00000
    121       1.0935      0.00000
    122       1.1711      0.00000
    123       1.2458      0.00000
    124       1.3327      0.00000
    125       1.4294      0.00000
    126       1.5868      0.00000
    127       1.7633      0.00000
    128       1.8383      0.00000
    129       1.8560      0.00000
    130       1.8828      0.00000
    131       2.0412      0.00000
    132       2.2125      0.00000
    133       2.2258      0.00000
    134       2.2789      0.00000
    135       2.4754      0.00000
    136       2.6089      0.00000
    137       2.6432      0.00000
    138       2.7439      0.00000
    139       2.7885      0.00000
    140       2.8307      0.00000
    141       2.8411      0.00000
    142       2.8769      0.00000
    143       2.9513      0.00000
    144       3.0757      0.00000
    145       3.3095      0.00000
    146       3.3556      0.00000
    147       3.4039      0.00000
    148       3.4184      0.00000
    149       3.4191      0.00000
    150       3.5913      0.00000
    151       3.6496      0.00000
    152       3.6665      0.00000
    153       3.7235      0.00000
    154       3.8881      0.00000
    155       3.9222      0.00000
    156       3.9537      0.00000
    157       4.1101      0.00000
    158       4.1997      0.00000
    159       4.2434      0.00000
    160       4.2792      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2071      1.00000
      2     -22.1175      1.00000
      3     -21.9551      1.00000
      4     -21.4032      1.00000
      5     -21.0442      1.00000
      6     -21.0165      1.00000
      7     -20.4943      1.00000
      8     -20.4651      1.00000
      9     -20.2844      1.00000
     10     -20.2827      1.00000
     11     -19.9557      1.00000
     12     -19.8931      1.00000
     13     -18.8828      1.00000
     14     -18.8159      1.00000
     15     -18.3361      1.00000
     16     -18.3174      1.00000
     17     -18.1484      1.00000
     18     -18.1411      1.00000
     19     -17.8145      1.00000
     20     -17.7969      1.00000
     21     -17.2584      1.00000
     22     -17.2392      1.00000
     23     -17.1589      1.00000
     24     -17.1365      1.00000
     25     -16.1148      1.00000
     26     -15.8799      1.00000
     27     -15.8693      1.00000
     28     -15.8422      1.00000
     29     -15.2304      1.00000
     30     -14.5515      1.00000
     31     -14.5337      1.00000
     32     -14.2756      1.00000
     33     -13.9739      1.00000
     34     -13.9504      1.00000
     35     -13.8254      1.00000
     36     -13.8028      1.00000
     37     -13.6042      1.00000
     38     -13.5794      1.00000
     39     -13.3686      1.00000
     40     -12.6375      1.00000
     41     -12.1697      1.00000
     42     -12.1437      1.00000
     43     -12.0682      1.00000
     44     -12.0217      1.00000
     45     -11.6637      1.00000
     46     -11.6594      1.00000
     47     -11.1383      1.00000
     48     -11.1279      1.00000
     49     -10.7922      1.00000
     50     -10.7366      1.00000
     51     -10.5298      1.00000
     52     -10.2073      1.00000
     53     -10.2014      1.00000
     54     -10.1690      1.00000
     55     -10.0213      1.00000
     56      -9.9931      1.00000
     57      -9.9896      1.00000
     58      -9.8048      1.00000
     59      -9.7954      1.00000
     60      -9.7664      1.00000
     61      -9.7588      1.00000
     62      -9.4576      1.00000
     63      -9.4155      1.00000
     64      -9.0842      1.00000
     65      -9.0457      1.00000
     66      -9.0249      1.00000
     67      -8.9712      1.00000
     68      -8.8963      1.00000
     69      -8.7076      1.00000
     70      -8.6988      1.00000
     71      -8.5630      1.00000
     72      -8.5525      1.00000
     73      -8.4789      1.00000
     74      -8.4608      1.00000
     75      -8.4568      1.00000
     76      -8.3046      1.00000
     77      -8.0930      1.00000
     78      -8.0897      1.00000
     79      -7.9274      1.00000
     80      -7.8335      1.00000
     81      -7.6004      1.00000
     82      -7.5401      1.00000
     83      -7.4533      1.00000
     84      -7.3044      1.00000
     85      -6.9938      1.00000
     86      -6.9206      1.00000
     87      -6.8822      1.00000
     88      -6.5312      1.00000
     89      -6.5165      1.00000
     90      -6.4840      1.00000
     91      -6.4214      1.00000
     92      -5.9256      1.00000
     93      -5.9044      1.00000
     94      -5.7891      1.00000
     95      -5.7748      1.00000
     96      -5.3682      1.00000
     97      -5.3617      1.00000
     98      -5.2202      1.00000
     99      -5.2162      1.00000
    100      -5.1993      1.00000
    101      -4.7187      1.00000
    102      -4.4362      1.00000
    103      -4.1880      1.00000
    104      -3.8135      1.00000
    105      -3.5587      1.00000
    106      -3.2243      1.00000
    107      -2.5636      0.00000
    108      -1.4618      0.00000
    109      -1.2703      0.00000
    110      -1.1885      0.00000
    111      -1.1868      0.00000
    112      -0.6472      0.00000
    113      -0.5558      0.00000
    114      -0.4178      0.00000
    115      -0.3512      0.00000
    116      -0.0813      0.00000
    117      -0.0674      0.00000
    118       0.1229      0.00000
    119       0.5889      0.00000
    120       0.6223      0.00000
    121       0.8495      0.00000
    122       0.9812      0.00000
    123       0.9979      0.00000
    124       1.4869      0.00000
    125       1.6766      0.00000
    126       1.7576      0.00000
    127       1.8509      0.00000
    128       2.1044      0.00000
    129       2.1513      0.00000
    130       2.1898      0.00000
    131       2.2058      0.00000
    132       2.2526      0.00000
    133       2.3516      0.00000
    134       2.4902      0.00000
    135       2.5133      0.00000
    136       2.6574      0.00000
    137       2.8491      0.00000
    138       2.8565      0.00000
    139       2.9478      0.00000
    140       2.9914      0.00000
    141       3.0297      0.00000
    142       3.1314      0.00000
    143       3.1979      0.00000
    144       3.2391      0.00000
    145       3.2405      0.00000
    146       3.2750      0.00000
    147       3.3005      0.00000
    148       3.3504      0.00000
    149       3.4198      0.00000
    150       3.5465      0.00000
    151       3.5607      0.00000
    152       3.6402      0.00000
    153       3.6604      0.00000
    154       3.7072      0.00000
    155       3.7311      0.00000
    156       3.8927      0.00000
    157       3.9510      0.00000
    158       4.0284      0.00000
    159       4.0678      0.00000
    160       4.1764      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2810      1.00000
      2     -22.0768      1.00000
      3     -21.7183      1.00000
      4     -21.6800      1.00000
      5     -20.9809      1.00000
      6     -20.9340      1.00000
      7     -20.6095      1.00000
      8     -20.5775      1.00000
      9     -20.5646      1.00000
     10     -20.0305      1.00000
     11     -19.5124      1.00000
     12     -19.4831      1.00000
     13     -19.3110      1.00000
     14     -19.2981      1.00000
     15     -18.4480      1.00000
     16     -18.4056      1.00000
     17     -17.9272      1.00000
     18     -17.9072      1.00000
     19     -17.7643      1.00000
     20     -17.7202      1.00000
     21     -17.4415      1.00000
     22     -17.4233      1.00000
     23     -17.3368      1.00000
     24     -16.4722      1.00000
     25     -16.4620      1.00000
     26     -15.9689      1.00000
     27     -15.4112      1.00000
     28     -15.4103      1.00000
     29     -15.0963      1.00000
     30     -15.0934      1.00000
     31     -14.8525      1.00000
     32     -14.8406      1.00000
     33     -14.2968      1.00000
     34     -14.2539      1.00000
     35     -13.4436      1.00000
     36     -13.4006      1.00000
     37     -13.1757      1.00000
     38     -13.1744      1.00000
     39     -12.9840      1.00000
     40     -12.9752      1.00000
     41     -12.6114      1.00000
     42     -12.6094      1.00000
     43     -12.1957      1.00000
     44     -11.5806      1.00000
     45     -11.5402      1.00000
     46     -11.3146      1.00000
     47     -11.2847      1.00000
     48     -11.1409      1.00000
     49     -10.6918      1.00000
     50     -10.6653      1.00000
     51     -10.5439      1.00000
     52     -10.3212      1.00000
     53     -10.3137      1.00000
     54     -10.1737      1.00000
     55     -10.1237      1.00000
     56     -10.1101      1.00000
     57      -9.8096      1.00000
     58      -9.7512      1.00000
     59      -9.7512      1.00000
     60      -9.7019      1.00000
     61      -9.6983      1.00000
     62      -9.6456      1.00000
     63      -9.3523      1.00000
     64      -9.3507      1.00000
     65      -9.3215      1.00000
     66      -9.0269      1.00000
     67      -8.9613      1.00000
     68      -8.9565      1.00000
     69      -8.7746      1.00000
     70      -8.5954      1.00000
     71      -8.5855      1.00000
     72      -8.4214      1.00000
     73      -8.3490      1.00000
     74      -8.3232      1.00000
     75      -8.3021      1.00000
     76      -8.2679      1.00000
     77      -8.2567      1.00000
     78      -8.2427      1.00000
     79      -7.9251      1.00000
     80      -7.7363      1.00000
     81      -7.3797      1.00000
     82      -7.3504      1.00000
     83      -7.3140      1.00000
     84      -7.2175      1.00000
     85      -7.1597      1.00000
     86      -7.0689      1.00000
     87      -6.9606      1.00000
     88      -6.9081      1.00000
     89      -6.6177      1.00000
     90      -6.5565      1.00000
     91      -6.2754      1.00000
     92      -5.9955      1.00000
     93      -5.9588      1.00000
     94      -5.6750      1.00000
     95      -5.6483      1.00000
     96      -5.3862      1.00000
     97      -5.3144      1.00000
     98      -5.2934      1.00000
     99      -5.2126      1.00000
    100      -5.2009      1.00000
    101      -4.5044      1.00000
    102      -4.3326      1.00000
    103      -3.9968      1.00000
    104      -3.8861      1.00000
    105      -3.7888      1.00000
    106      -3.4384      1.00000
    107      -2.0340      0.00000
    108      -1.8662      0.00000
    109      -1.2186      0.00000
    110      -1.1870      0.00000
    111      -1.0390      0.00000
    112      -0.7752      0.00000
    113      -0.6813      0.00000
    114      -0.6633      0.00000
    115      -0.6126      0.00000
    116      -0.1058      0.00000
    117       0.2192      0.00000
    118       0.2355      0.00000
    119       0.7645      0.00000
    120       0.9790      0.00000
    121       1.0713      0.00000
    122       1.2357      0.00000
    123       1.2467      0.00000
    124       1.3338      0.00000
    125       1.5720      0.00000
    126       1.5805      0.00000
    127       1.6950      0.00000
    128       1.7889      0.00000
    129       1.9381      0.00000
    130       1.9532      0.00000
    131       2.0881      0.00000
    132       2.2967      0.00000
    133       2.3409      0.00000
    134       2.4129      0.00000
    135       2.5309      0.00000
    136       2.6239      0.00000
    137       2.7723      0.00000
    138       2.8303      0.00000
    139       2.8387      0.00000
    140       2.8616      0.00000
    141       3.0374      0.00000
    142       3.0951      0.00000
    143       3.1443      0.00000
    144       3.2152      0.00000
    145       3.3710      0.00000
    146       3.4133      0.00000
    147       3.4957      0.00000
    148       3.5366      0.00000
    149       3.5859      0.00000
    150       3.6020      0.00000
    151       3.6406      0.00000
    152       3.7277      0.00000
    153       3.7394      0.00000
    154       3.7745      0.00000
    155       3.8209      0.00000
    156       3.8765      0.00000
    157       4.0243      0.00000
    158       4.0816      0.00000
    159       4.1628      0.00000
    160       4.2027      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4243      1.00000
      2     -21.5996      1.00000
      3     -21.4804      1.00000
      4     -21.4714      1.00000
      5     -21.4394      1.00000
      6     -21.4389      1.00000
      7     -21.4283      1.00000
      8     -19.7049      1.00000
      9     -19.6510      1.00000
     10     -19.6289      1.00000
     11     -19.6174      1.00000
     12     -19.6128      1.00000
     13     -19.6112      1.00000
     14     -18.7882      1.00000
     15     -18.7528      1.00000
     16     -18.7346      1.00000
     17     -18.7252      1.00000
     18     -18.7171      1.00000
     19     -18.7130      1.00000
     20     -16.6353      1.00000
     21     -16.6083      1.00000
     22     -16.5852      1.00000
     23     -16.5827      1.00000
     24     -16.5538      1.00000
     25     -16.5533      1.00000
     26     -15.6131      1.00000
     27     -15.6009      1.00000
     28     -15.5978      1.00000
     29     -15.5645      1.00000
     30     -15.5630      1.00000
     31     -15.5615      1.00000
     32     -14.2588      1.00000
     33     -14.2503      1.00000
     34     -14.2414      1.00000
     35     -14.2360      1.00000
     36     -14.2223      1.00000
     37     -14.2193      1.00000
     38     -11.9054      1.00000
     39     -11.8796      1.00000
     40     -11.8685      1.00000
     41     -11.8665      1.00000
     42     -11.8465      1.00000
     43     -11.8460      1.00000
     44     -11.7706      1.00000
     45     -11.7697      1.00000
     46     -11.7343      1.00000
     47     -11.7286      1.00000
     48     -11.7265      1.00000
     49     -11.7211      1.00000
     50     -10.6715      1.00000
     51     -10.3877      1.00000
     52     -10.3835      1.00000
     53     -10.3770      1.00000
     54     -10.3684      1.00000
     55     -10.3563      1.00000
     56     -10.3536      1.00000
     57      -9.8999      1.00000
     58      -9.4479      1.00000
     59      -9.4047      1.00000
     60      -9.3616      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1414      1.00000
     64      -9.1252      1.00000
     65      -9.1213      1.00000
     66      -9.0864      1.00000
     67      -9.0717      1.00000
     68      -9.0714      1.00000
     69      -9.0700      1.00000
     70      -9.0678      1.00000
     71      -9.0644      1.00000
     72      -9.0410      1.00000
     73      -9.0299      1.00000
     74      -9.0270      1.00000
     75      -8.1376      1.00000
     76      -7.7329      1.00000
     77      -7.4714      1.00000
     78      -7.4665      1.00000
     79      -7.4562      1.00000
     80      -7.4360      1.00000
     81      -7.4246      1.00000
     82      -7.4090      1.00000
     83      -7.3118      1.00000
     84      -7.2696      1.00000
     85      -7.2573      1.00000
     86      -7.2487      1.00000
     87      -7.1574      1.00000
     88      -7.0465      1.00000
     89      -6.4471      1.00000
     90      -6.4154      1.00000
     91      -6.4003      1.00000
     92      -6.3633      1.00000
     93      -6.3535      1.00000
     94      -6.3405      1.00000
     95      -5.9629      1.00000
     96      -5.9583      1.00000
     97      -4.7973      1.00000
     98      -4.5409      1.00000
     99      -4.4815      1.00000
    100      -4.4725      1.00000
    101      -4.3832      1.00000
    102      -4.3829      1.00000
    103      -4.2671      1.00000
    104      -4.1854      1.00000
    105      -3.7353      1.00000
    106      -3.4709      1.00000
    107      -1.8607      0.00000
    108      -1.6750      0.00000
    109      -1.6264      0.00000
    110      -1.5941      0.00000
    111      -1.5792      0.00000
    112      -1.5783      0.00000
    113      -0.4288      0.00000
    114       0.1403      0.00000
    115       0.1889      0.00000
    116       0.2517      0.00000
    117       0.2649      0.00000
    118       0.2675      0.00000
    119       0.4709      0.00000
    120       0.5438      0.00000
    121       1.2409      0.00000
    122       1.2864      0.00000
    123       1.5202      0.00000
    124       1.7686      0.00000
    125       1.7713      0.00000
    126       1.7716      0.00000
    127       1.8040      0.00000
    128       1.8268      0.00000
    129       1.9538      0.00000
    130       1.9642      0.00000
    131       1.9697      0.00000
    132       1.9845      0.00000
    133       1.9916      0.00000
    134       2.0712      0.00000
    135       2.2417      0.00000
    136       2.3386      0.00000
    137       2.6015      0.00000
    138       2.6034      0.00000
    139       2.6287      0.00000
    140       2.6996      0.00000
    141       2.9343      0.00000
    142       3.0487      0.00000
    143       3.0687      0.00000
    144       3.1026      0.00000
    145       3.1027      0.00000
    146       3.1076      0.00000
    147       3.1083      0.00000
    148       3.2650      0.00000
    149       3.4471      0.00000
    150       3.4992      0.00000
    151       3.8167      0.00000
    152       3.9438      0.00000
    153       3.9461      0.00000
    154       3.9494      0.00000
    155       3.9526      0.00000
    156       3.9941      0.00000
    157       4.1901      0.00000
    158       4.2601      0.00000
    159       4.2780      0.00000
    160       4.2822      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3876      1.00000
      2     -21.8285      1.00000
      3     -21.6362      1.00000
      4     -21.6092      1.00000
      5     -21.2727      1.00000
      6     -21.2342      1.00000
      7     -21.0557      1.00000
      8     -20.1661      1.00000
      9     -20.1288      1.00000
     10     -19.6072      1.00000
     11     -19.5962      1.00000
     12     -19.4165      1.00000
     13     -19.0884      1.00000
     14     -19.0586      1.00000
     15     -19.0486      1.00000
     16     -19.0410      1.00000
     17     -18.3600      1.00000
     18     -18.3513      1.00000
     19     -18.0192      1.00000
     20     -17.0691      1.00000
     21     -17.0311      1.00000
     22     -16.9451      1.00000
     23     -16.9389      1.00000
     24     -16.4681      1.00000
     25     -16.4623      1.00000
     26     -15.6128      1.00000
     27     -15.6065      1.00000
     28     -15.2525      1.00000
     29     -15.2440      1.00000
     30     -15.1849      1.00000
     31     -15.0979      1.00000
     32     -15.0716      1.00000
     33     -14.6982      1.00000
     34     -14.6958      1.00000
     35     -13.7269      1.00000
     36     -13.7233      1.00000
     37     -13.2368      1.00000
     38     -12.6150      1.00000
     39     -12.5854      1.00000
     40     -12.4547      1.00000
     41     -12.4500      1.00000
     42     -12.1106      1.00000
     43     -12.1050      1.00000
     44     -11.7160      1.00000
     45     -11.6854      1.00000
     46     -11.2354      1.00000
     47     -11.2271      1.00000
     48     -11.0187      1.00000
     49     -11.0102      1.00000
     50     -10.9261      1.00000
     51     -10.9047      1.00000
     52     -10.6260      1.00000
     53     -10.1566      1.00000
     54     -10.1503      1.00000
     55     -10.0935      1.00000
     56      -9.9959      1.00000
     57      -9.7023      1.00000
     58      -9.6962      1.00000
     59      -9.6551      1.00000
     60      -9.5917      1.00000
     61      -9.5765      1.00000
     62      -9.5590      1.00000
     63      -9.3098      1.00000
     64      -9.3037      1.00000
     65      -9.2730      1.00000
     66      -9.2355      1.00000
     67      -9.1354      1.00000
     68      -9.1188      1.00000
     69      -9.1105      1.00000
     70      -8.9389      1.00000
     71      -8.8715      1.00000
     72      -8.6057      1.00000
     73      -8.5918      1.00000
     74      -8.2394      1.00000
     75      -8.1034      1.00000
     76      -7.9090      1.00000
     77      -7.8638      1.00000
     78      -7.7741      1.00000
     79      -7.7587      1.00000
     80      -7.6963      1.00000
     81      -7.5539      1.00000
     82      -7.3413      1.00000
     83      -7.3246      1.00000
     84      -7.2052      1.00000
     85      -7.1219      1.00000
     86      -7.0330      1.00000
     87      -7.0129      1.00000
     88      -6.7045      1.00000
     89      -6.6786      1.00000
     90      -6.6417      1.00000
     91      -6.5975      1.00000
     92      -6.1193      1.00000
     93      -6.0624      1.00000
     94      -6.0320      1.00000
     95      -6.0111      1.00000
     96      -5.7836      1.00000
     97      -4.9694      1.00000
     98      -4.8311      1.00000
     99      -4.7471      1.00000
    100      -4.6801      1.00000
    101      -4.4633      1.00000
    102      -4.2003      1.00000
    103      -4.1707      1.00000
    104      -4.1284      1.00000
    105      -3.7259      1.00000
    106      -3.4808      1.00000
    107      -1.8712      0.00000
    108      -1.8128      0.00000
    109      -1.5251      0.00000
    110      -1.3805      0.00000
    111      -1.3247      0.00000
    112      -1.2913      0.00000
    113      -0.7219      0.00000
    114      -0.3784      0.00000
    115      -0.2533      0.00000
    116       0.0325      0.00000
    117       0.5505      0.00000
    118       0.6948      0.00000
    119       0.7418      0.00000
    120       1.0432      0.00000
    121       1.0953      0.00000
    122       1.1449      0.00000
    123       1.2222      0.00000
    124       1.3739      0.00000
    125       1.5150      0.00000
    126       1.5733      0.00000
    127       1.7123      0.00000
    128       1.8149      0.00000
    129       1.8541      0.00000
    130       1.8771      0.00000
    131       2.0909      0.00000
    132       2.1804      0.00000
    133       2.2362      0.00000
    134       2.2995      0.00000
    135       2.5068      0.00000
    136       2.5814      0.00000
    137       2.6422      0.00000
    138       2.7721      0.00000
    139       2.7903      0.00000
    140       2.8216      0.00000
    141       2.8647      0.00000
    142       2.8928      0.00000
    143       2.9463      0.00000
    144       3.0721      0.00000
    145       3.1476      0.00000
    146       3.3131      0.00000
    147       3.3869      0.00000
    148       3.4321      0.00000
    149       3.4599      0.00000
    150       3.6096      0.00000
    151       3.6432      0.00000
    152       3.6627      0.00000
    153       3.7062      0.00000
    154       3.9034      0.00000
    155       3.9586      0.00000
    156       4.0113      0.00000
    157       4.0682      0.00000
    158       4.2279      0.00000
    159       4.2437      0.00000
    160       4.2745      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0763      1.00000
      3     -21.7145      1.00000
      4     -21.6836      1.00000
      5     -20.9775      1.00000
      6     -20.9379      1.00000
      7     -20.6101      1.00000
      8     -20.5742      1.00000
      9     -20.5682      1.00000
     10     -20.0318      1.00000
     11     -19.5020      1.00000
     12     -19.4904      1.00000
     13     -19.3057      1.00000
     14     -19.3004      1.00000
     15     -18.4469      1.00000
     16     -18.4110      1.00000
     17     -17.9220      1.00000
     18     -17.9120      1.00000
     19     -17.7612      1.00000
     20     -17.7262      1.00000
     21     -17.4362      1.00000
     22     -17.4276      1.00000
     23     -17.3418      1.00000
     24     -16.4624      1.00000
     25     -16.4610      1.00000
     26     -15.9665      1.00000
     27     -15.4129      1.00000
     28     -15.4083      1.00000
     29     -15.0954      1.00000
     30     -15.0929      1.00000
     31     -14.8560      1.00000
     32     -14.8484      1.00000
     33     -14.2907      1.00000
     34     -14.2585      1.00000
     35     -13.4374      1.00000
     36     -13.4054      1.00000
     37     -13.1782      1.00000
     38     -13.1736      1.00000
     39     -12.9810      1.00000
     40     -12.9761      1.00000
     41     -12.6144      1.00000
     42     -12.6094      1.00000
     43     -12.1992      1.00000
     44     -11.5753      1.00000
     45     -11.5419      1.00000
     46     -11.3096      1.00000
     47     -11.2869      1.00000
     48     -11.1437      1.00000
     49     -10.6751      1.00000
     50     -10.6616      1.00000
     51     -10.5485      1.00000
     52     -10.3257      1.00000
     53     -10.3174      1.00000
     54     -10.1692      1.00000
     55     -10.1166      1.00000
     56     -10.1119      1.00000
     57      -9.7962      1.00000
     58      -9.7673      1.00000
     59      -9.7509      1.00000
     60      -9.7012      1.00000
     61      -9.6989      1.00000
     62      -9.6604      1.00000
     63      -9.3577      1.00000
     64      -9.3505      1.00000
     65      -9.3148      1.00000
     66      -9.0393      1.00000
     67      -8.9648      1.00000
     68      -8.9498      1.00000
     69      -8.7979      1.00000
     70      -8.5935      1.00000
     71      -8.5581      1.00000
     72      -8.3967      1.00000
     73      -8.3644      1.00000
     74      -8.3257      1.00000
     75      -8.3081      1.00000
     76      -8.2611      1.00000
     77      -8.2579      1.00000
     78      -8.2365      1.00000
     79      -7.9087      1.00000
     80      -7.6525      1.00000
     81      -7.5435      1.00000
     82      -7.3882      1.00000
     83      -7.3514      1.00000
     84      -7.2341      1.00000
     85      -7.0983      1.00000
     86      -7.0377      1.00000
     87      -6.9348      1.00000
     88      -6.8469      1.00000
     89      -6.6133      1.00000
     90      -6.5622      1.00000
     91      -6.2707      1.00000
     92      -6.0429      1.00000
     93      -5.9519      1.00000
     94      -5.6629      1.00000
     95      -5.6222      1.00000
     96      -5.4613      1.00000
     97      -5.3201      1.00000
     98      -5.2793      1.00000
     99      -5.2150      1.00000
    100      -5.1939      1.00000
    101      -4.5005      1.00000
    102      -4.2038      1.00000
    103      -4.0560      1.00000
    104      -3.9896      1.00000
    105      -3.6917      1.00000
    106      -3.4910      1.00000
    107      -1.9480      0.00000
    108      -1.9005      0.00000
    109      -1.3379      0.00000
    110      -1.0878      0.00000
    111      -1.0613      0.00000
    112      -0.8030      0.00000
    113      -0.6806      0.00000
    114      -0.6500      0.00000
    115      -0.6107      0.00000
    116      -0.1116      0.00000
    117       0.2114      0.00000
    118       0.3242      0.00000
    119       0.6901      0.00000
    120       0.8811      0.00000
    121       1.1212      0.00000
    122       1.1946      0.00000
    123       1.3221      0.00000
    124       1.4145      0.00000
    125       1.5501      0.00000
    126       1.5715      0.00000
    127       1.6739      0.00000
    128       1.8050      0.00000
    129       1.8720      0.00000
    130       2.0490      0.00000
    131       2.1248      0.00000
    132       2.3272      0.00000
    133       2.3562      0.00000
    134       2.3913      0.00000
    135       2.5357      0.00000
    136       2.6269      0.00000
    137       2.7239      0.00000
    138       2.7627      0.00000
    139       2.8277      0.00000
    140       2.8763      0.00000
    141       3.0396      0.00000
    142       3.0506      0.00000
    143       3.1567      0.00000
    144       3.2594      0.00000
    145       3.3546      0.00000
    146       3.4104      0.00000
    147       3.4290      0.00000
    148       3.5584      0.00000
    149       3.5751      0.00000
    150       3.5909      0.00000
    151       3.6528      0.00000
    152       3.6702      0.00000
    153       3.7762      0.00000
    154       3.7966      0.00000
    155       3.8101      0.00000
    156       3.8922      0.00000
    157       3.9161      0.00000
    158       3.9960      0.00000
    159       4.2081      0.00000
    160       4.2235      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3155      1.00000
      2     -21.9607      1.00000
      3     -21.8924      1.00000
      4     -21.3789      1.00000
      5     -21.3504      1.00000
      6     -20.8383      1.00000
      7     -20.7736      1.00000
      8     -20.6232      1.00000
      9     -20.0760      1.00000
     10     -20.0705      1.00000
     11     -19.7157      1.00000
     12     -19.6918      1.00000
     13     -18.9953      1.00000
     14     -18.9898      1.00000
     15     -18.6389      1.00000
     16     -18.6234      1.00000
     17     -18.4624      1.00000
     18     -17.6752      1.00000
     19     -17.6258      1.00000
     20     -17.6228      1.00000
     21     -17.5812      1.00000
     22     -17.1259      1.00000
     23     -17.1048      1.00000
     24     -16.9607      1.00000
     25     -16.0009      1.00000
     26     -15.9280      1.00000
     27     -15.5854      1.00000
     28     -15.5853      1.00000
     29     -15.2875      1.00000
     30     -14.8636      1.00000
     31     -14.8368      1.00000
     32     -14.5803      1.00000
     33     -14.5388      1.00000
     34     -14.1676      1.00000
     35     -14.1538      1.00000
     36     -13.1485      1.00000
     37     -13.1006      1.00000
     38     -13.0311      1.00000
     39     -13.0218      1.00000
     40     -12.7104      1.00000
     41     -12.7065      1.00000
     42     -12.3402      1.00000
     43     -12.3090      1.00000
     44     -11.6349      1.00000
     45     -11.6220      1.00000
     46     -11.5715      1.00000
     47     -10.9486      1.00000
     48     -10.9158      1.00000
     49     -10.6307      1.00000
     50     -10.6262      1.00000
     51     -10.5461      1.00000
     52     -10.4987      1.00000
     53     -10.4979      1.00000
     54     -10.4413      1.00000
     55     -10.3632      1.00000
     56     -10.0970      1.00000
     57      -9.9023      1.00000
     58      -9.6115      1.00000
     59      -9.5596      1.00000
     60      -9.4519      1.00000
     61      -9.4118      1.00000
     62      -9.4045      1.00000
     63      -9.3798      1.00000
     64      -9.3791      1.00000
     65      -9.2855      1.00000
     66      -9.1680      1.00000
     67      -9.1432      1.00000
     68      -9.1149      1.00000
     69      -8.8636      1.00000
     70      -8.8567      1.00000
     71      -8.8149      1.00000
     72      -8.5963      1.00000
     73      -8.4797      1.00000
     74      -8.1991      1.00000
     75      -8.1635      1.00000
     76      -8.0131      1.00000
     77      -7.9572      1.00000
     78      -7.8535      1.00000
     79      -7.8435      1.00000
     80      -7.7080      1.00000
     81      -7.6988      1.00000
     82      -7.6249      1.00000
     83      -7.4455      1.00000
     84      -7.3059      1.00000
     85      -7.2483      1.00000
     86      -6.9073      1.00000
     87      -6.8936      1.00000
     88      -6.5891      1.00000
     89      -6.5508      1.00000
     90      -6.4106      1.00000
     91      -6.2531      1.00000
     92      -6.2323      1.00000
     93      -6.2053      1.00000
     94      -6.0233      1.00000
     95      -5.5496      1.00000
     96      -5.4890      1.00000
     97      -5.3495      1.00000
     98      -5.2210      1.00000
     99      -4.9792      1.00000
    100      -4.7291      1.00000
    101      -4.6772      1.00000
    102      -4.3843      1.00000
    103      -4.1992      1.00000
    104      -3.8651      1.00000
    105      -3.5466      1.00000
    106      -3.5022      1.00000
    107      -2.2600      0.00000
    108      -1.4551      0.00000
    109      -1.3748      0.00000
    110      -1.2451      0.00000
    111      -1.0997      0.00000
    112      -0.9482      0.00000
    113      -0.8669      0.00000
    114      -0.8068      0.00000
    115      -0.1427      0.00000
    116       0.1063      0.00000
    117       0.2381      0.00000
    118       0.3731      0.00000
    119       0.6480      0.00000
    120       0.8310      0.00000
    121       0.9320      0.00000
    122       1.0574      0.00000
    123       1.2299      0.00000
    124       1.4387      0.00000
    125       1.5457      0.00000
    126       1.7614      0.00000
    127       1.7869      0.00000
    128       1.8686      0.00000
    129       1.9632      0.00000
    130       2.0397      0.00000
    131       2.1696      0.00000
    132       2.1898      0.00000
    133       2.4046      0.00000
    134       2.4650      0.00000
    135       2.5318      0.00000
    136       2.5999      0.00000
    137       2.6352      0.00000
    138       2.6918      0.00000
    139       2.7684      0.00000
    140       2.8280      0.00000
    141       2.9440      0.00000
    142       3.0743      0.00000
    143       3.1935      0.00000
    144       3.2121      0.00000
    145       3.2600      0.00000
    146       3.3165      0.00000
    147       3.3220      0.00000
    148       3.4636      0.00000
    149       3.4927      0.00000
    150       3.6936      0.00000
    151       3.7072      0.00000
    152       3.7261      0.00000
    153       3.8538      0.00000
    154       3.9101      0.00000
    155       3.9354      0.00000
    156       3.9734      0.00000
    157       4.0120      0.00000
    158       4.0277      0.00000
    159       4.0423      0.00000
    160       4.0616      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1162      1.00000
      3     -21.9553      1.00000
      4     -21.4028      1.00000
      5     -21.0481      1.00000
      6     -21.0130      1.00000
      7     -20.4990      1.00000
      8     -20.4604      1.00000
      9     -20.2939      1.00000
     10     -20.2750      1.00000
     11     -19.9562      1.00000
     12     -19.8907      1.00000
     13     -18.8813      1.00000
     14     -18.8128      1.00000
     15     -18.3521      1.00000
     16     -18.3069      1.00000
     17     -18.1527      1.00000
     18     -18.1355      1.00000
     19     -17.8264      1.00000
     20     -17.7895      1.00000
     21     -17.2524      1.00000
     22     -17.2409      1.00000
     23     -17.1660      1.00000
     24     -17.1323      1.00000
     25     -16.1093      1.00000
     26     -15.8842      1.00000
     27     -15.8695      1.00000
     28     -15.8342      1.00000
     29     -15.2378      1.00000
     30     -14.5543      1.00000
     31     -14.5271      1.00000
     32     -14.2816      1.00000
     33     -13.9651      1.00000
     34     -13.9567      1.00000
     35     -13.8219      1.00000
     36     -13.8050      1.00000
     37     -13.6148      1.00000
     38     -13.5716      1.00000
     39     -13.3688      1.00000
     40     -12.6340      1.00000
     41     -12.1812      1.00000
     42     -12.1338      1.00000
     43     -12.0714      1.00000
     44     -12.0189      1.00000
     45     -11.6713      1.00000
     46     -11.6580      1.00000
     47     -11.1391      1.00000
     48     -11.1191      1.00000
     49     -10.7942      1.00000
     50     -10.7302      1.00000
     51     -10.5228      1.00000
     52     -10.2115      1.00000
     53     -10.2053      1.00000
     54     -10.1634      1.00000
     55     -10.0190      1.00000
     56     -10.0038      1.00000
     57      -9.9904      1.00000
     58      -9.8032      1.00000
     59      -9.7989      1.00000
     60      -9.7638      1.00000
     61      -9.7591      1.00000
     62      -9.4541      1.00000
     63      -9.4152      1.00000
     64      -9.0784      1.00000
     65      -9.0747      1.00000
     66      -9.0422      1.00000
     67      -8.9561      1.00000
     68      -8.8762      1.00000
     69      -8.7139      1.00000
     70      -8.7017      1.00000
     71      -8.5657      1.00000
     72      -8.5433      1.00000
     73      -8.4986      1.00000
     74      -8.4650      1.00000
     75      -8.4545      1.00000
     76      -8.2586      1.00000
     77      -8.1253      1.00000
     78      -8.0422      1.00000
     79      -7.9176      1.00000
     80      -7.8621      1.00000
     81      -7.6166      1.00000
     82      -7.5486      1.00000
     83      -7.4960      1.00000
     84      -7.2627      1.00000
     85      -6.9976      1.00000
     86      -6.9265      1.00000
     87      -6.8852      1.00000
     88      -6.5338      1.00000
     89      -6.4878      1.00000
     90      -6.4615      1.00000
     91      -6.4100      1.00000
     92      -5.9829      1.00000
     93      -5.8974      1.00000
     94      -5.7853      1.00000
     95      -5.7594      1.00000
     96      -5.4304      1.00000
     97      -5.3290      1.00000
     98      -5.2312      1.00000
     99      -5.2185      1.00000
    100      -5.1884      1.00000
    101      -4.6895      1.00000
    102      -4.4169      1.00000
    103      -4.2055      1.00000
    104      -3.8273      1.00000
    105      -3.5214      1.00000
    106      -3.2756      1.00000
    107      -2.5343      0.00000
    108      -1.4568      0.00000
    109      -1.2703      0.00000
    110      -1.2059      0.00000
    111      -1.1754      0.00000
    112      -0.7216      0.00000
    113      -0.5071      0.00000
    114      -0.4153      0.00000
    115      -0.3425      0.00000
    116      -0.1495      0.00000
    117      -0.0068      0.00000
    118       0.1890      0.00000
    119       0.5566      0.00000
    120       0.6082      0.00000
    121       0.7931      0.00000
    122       0.9004      0.00000
    123       1.1273      0.00000
    124       1.4856      0.00000
    125       1.6284      0.00000
    126       1.8419      0.00000
    127       1.9214      0.00000
    128       2.0996      0.00000
    129       2.1092      0.00000
    130       2.1558      0.00000
    131       2.1893      0.00000
    132       2.2750      0.00000
    133       2.3378      0.00000
    134       2.4704      0.00000
    135       2.5779      0.00000
    136       2.6515      0.00000
    137       2.8482      0.00000
    138       2.8652      0.00000
    139       2.8876      0.00000
    140       3.0037      0.00000
    141       3.0171      0.00000
    142       3.1355      0.00000
    143       3.1844      0.00000
    144       3.2254      0.00000
    145       3.2679      0.00000
    146       3.2797      0.00000
    147       3.2965      0.00000
    148       3.3415      0.00000
    149       3.4195      0.00000
    150       3.4449      0.00000
    151       3.5475      0.00000
    152       3.6213      0.00000
    153       3.7116      0.00000
    154       3.7339      0.00000
    155       3.7660      0.00000
    156       3.8918      0.00000
    157       3.9307      0.00000
    158       3.9977      0.00000
    159       4.1223      0.00000
    160       4.2158      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3153      1.00000
      2     -21.9624      1.00000
      3     -21.8908      1.00000
      4     -21.3828      1.00000
      5     -21.3472      1.00000
      6     -20.8379      1.00000
      7     -20.7718      1.00000
      8     -20.6235      1.00000
      9     -20.0883      1.00000
     10     -20.0602      1.00000
     11     -19.7171      1.00000
     12     -19.6889      1.00000
     13     -19.0087      1.00000
     14     -18.9783      1.00000
     15     -18.6492      1.00000
     16     -18.6171      1.00000
     17     -18.4597      1.00000
     18     -17.6599      1.00000
     19     -17.6457      1.00000
     20     -17.6103      1.00000
     21     -17.5773      1.00000
     22     -17.1371      1.00000
     23     -17.0977      1.00000
     24     -16.9669      1.00000
     25     -16.0093      1.00000
     26     -15.9223      1.00000
     27     -15.5980      1.00000
     28     -15.5751      1.00000
     29     -15.2798      1.00000
     30     -14.8763      1.00000
     31     -14.8301      1.00000
     32     -14.5748      1.00000
     33     -14.5366      1.00000
     34     -14.1650      1.00000
     35     -14.1601      1.00000
     36     -13.1627      1.00000
     37     -13.0953      1.00000
     38     -13.0227      1.00000
     39     -13.0188      1.00000
     40     -12.7177      1.00000
     41     -12.6949      1.00000
     42     -12.3407      1.00000
     43     -12.3133      1.00000
     44     -11.6332      1.00000
     45     -11.6237      1.00000
     46     -11.5701      1.00000
     47     -10.9417      1.00000
     48     -10.9232      1.00000
     49     -10.6654      1.00000
     50     -10.5907      1.00000
     51     -10.5725      1.00000
     52     -10.5027      1.00000
     53     -10.4882      1.00000
     54     -10.4404      1.00000
     55     -10.3555      1.00000
     56     -10.1013      1.00000
     57      -9.8965      1.00000
     58      -9.6081      1.00000
     59      -9.5505      1.00000
     60      -9.4521      1.00000
     61      -9.4212      1.00000
     62      -9.4086      1.00000
     63      -9.3799      1.00000
     64      -9.3721      1.00000
     65      -9.2663      1.00000
     66      -9.1671      1.00000
     67      -9.1435      1.00000
     68      -9.1169      1.00000
     69      -8.8678      1.00000
     70      -8.8613      1.00000
     71      -8.8016      1.00000
     72      -8.5950      1.00000
     73      -8.5246      1.00000
     74      -8.1951      1.00000
     75      -8.1720      1.00000
     76      -8.0787      1.00000
     77      -7.8588      1.00000
     78      -7.8374      1.00000
     79      -7.8207      1.00000
     80      -7.7121      1.00000
     81      -7.6975      1.00000
     82      -7.6016      1.00000
     83      -7.5245      1.00000
     84      -7.3520      1.00000
     85      -7.1660      1.00000
     86      -6.9077      1.00000
     87      -6.8975      1.00000
     88      -6.5938      1.00000
     89      -6.5509      1.00000
     90      -6.4071      1.00000
     91      -6.3024      1.00000
     92      -6.2481      1.00000
     93      -6.2041      1.00000
     94      -6.0033      1.00000
     95      -5.5309      1.00000
     96      -5.4652      1.00000
     97      -5.3133      1.00000
     98      -5.2099      1.00000
     99      -5.0453      1.00000
    100      -4.7224      1.00000
    101      -4.6706      1.00000
    102      -4.4189      1.00000
    103      -4.1917      1.00000
    104      -3.8366      1.00000
    105      -3.6317      1.00000
    106      -3.4140      1.00000
    107      -2.2941      0.00000
    108      -1.5088      0.00000
    109      -1.2729      0.00000
    110      -1.2663      0.00000
    111      -1.0366      0.00000
    112      -0.9811      0.00000
    113      -0.8712      0.00000
    114      -0.8031      0.00000
    115      -0.2637      0.00000
    116       0.2001      0.00000
    117       0.2354      0.00000
    118       0.3551      0.00000
    119       0.6856      0.00000
    120       0.8896      0.00000
    121       0.9193      0.00000
    122       1.0363      0.00000
    123       1.1606      0.00000
    124       1.5032      0.00000
    125       1.5542      0.00000
    126       1.7015      0.00000
    127       1.7749      0.00000
    128       1.8285      0.00000
    129       1.9630      0.00000
    130       1.9797      0.00000
    131       2.1805      0.00000
    132       2.2538      0.00000
    133       2.4077      0.00000
    134       2.4702      0.00000
    135       2.5328      0.00000
    136       2.5950      0.00000
    137       2.6136      0.00000
    138       2.6953      0.00000
    139       2.7488      0.00000
    140       2.8544      0.00000
    141       3.0304      0.00000
    142       3.0734      0.00000
    143       3.1874      0.00000
    144       3.2434      0.00000
    145       3.2623      0.00000
    146       3.2926      0.00000
    147       3.3434      0.00000
    148       3.4474      0.00000
    149       3.5156      0.00000
    150       3.6887      0.00000
    151       3.7116      0.00000
    152       3.7486      0.00000
    153       3.8265      0.00000
    154       3.8873      0.00000
    155       3.9236      0.00000
    156       3.9722      0.00000
    157       4.0025      0.00000
    158       4.0394      0.00000
    159       4.0438      0.00000
    160       4.0867      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3875      1.00000
      2     -21.8287      1.00000
      3     -21.6395      1.00000
      4     -21.6054      1.00000
      5     -21.2770      1.00000
      6     -21.2308      1.00000
      7     -21.0549      1.00000
      8     -20.1696      1.00000
      9     -20.1244      1.00000
     10     -19.6161      1.00000
     11     -19.5905      1.00000
     12     -19.4140      1.00000
     13     -19.0931      1.00000
     14     -19.0554      1.00000
     15     -19.0511      1.00000
     16     -19.0381      1.00000
     17     -18.3663      1.00000
     18     -18.3470      1.00000
     19     -18.0152      1.00000
     20     -17.0709      1.00000
     21     -17.0229      1.00000
     22     -16.9498      1.00000
     23     -16.9363      1.00000
     24     -16.4762      1.00000
     25     -16.4642      1.00000
     26     -15.6094      1.00000
     27     -15.6089      1.00000
     28     -15.2491      1.00000
     29     -15.2373      1.00000
     30     -15.1900      1.00000
     31     -15.1004      1.00000
     32     -15.0681      1.00000
     33     -14.6989      1.00000
     34     -14.6980      1.00000
     35     -13.7256      1.00000
     36     -13.7255      1.00000
     37     -13.2341      1.00000
     38     -12.6240      1.00000
     39     -12.5809      1.00000
     40     -12.4535      1.00000
     41     -12.4482      1.00000
     42     -12.1058      1.00000
     43     -12.1010      1.00000
     44     -11.7229      1.00000
     45     -11.6849      1.00000
     46     -11.2465      1.00000
     47     -11.2267      1.00000
     48     -11.0166      1.00000
     49     -11.0050      1.00000
     50     -10.9283      1.00000
     51     -10.9001      1.00000
     52     -10.6321      1.00000
     53     -10.1716      1.00000
     54     -10.1491      1.00000
     55     -10.0851      1.00000
     56      -9.9880      1.00000
     57      -9.6959      1.00000
     58      -9.6887      1.00000
     59      -9.6696      1.00000
     60      -9.5942      1.00000
     61      -9.5702      1.00000
     62      -9.5524      1.00000
     63      -9.3119      1.00000
     64      -9.2995      1.00000
     65      -9.2812      1.00000
     66      -9.2466      1.00000
     67      -9.1212      1.00000
     68      -9.1120      1.00000
     69      -9.1104      1.00000
     70      -8.9382      1.00000
     71      -8.8789      1.00000
     72      -8.6074      1.00000
     73      -8.5889      1.00000
     74      -8.2723      1.00000
     75      -8.1009      1.00000
     76      -7.8713      1.00000
     77      -7.8430      1.00000
     78      -7.7907      1.00000
     79      -7.7655      1.00000
     80      -7.7561      1.00000
     81      -7.4395      1.00000
     82      -7.3348      1.00000
     83      -7.3236      1.00000
     84      -7.2657      1.00000
     85      -7.1670      1.00000
     86      -7.0191      1.00000
     87      -6.9858      1.00000
     88      -6.7174      1.00000
     89      -6.6928      1.00000
     90      -6.6312      1.00000
     91      -6.5901      1.00000
     92      -6.1175      1.00000
     93      -6.0605      1.00000
     94      -6.0453      1.00000
     95      -6.0313      1.00000
     96      -5.7475      1.00000
     97      -4.9697      1.00000
     98      -4.8385      1.00000
     99      -4.7092      1.00000
    100      -4.6736      1.00000
    101      -4.4794      1.00000
    102      -4.3468      1.00000
    103      -4.1128      1.00000
    104      -4.0555      1.00000
    105      -3.7509      1.00000
    106      -3.4594      1.00000
    107      -1.9500      0.00000
    108      -1.7740      0.00000
    109      -1.4826      0.00000
    110      -1.3583      0.00000
    111      -1.3397      0.00000
    112      -1.2954      0.00000
    113      -0.6810      0.00000
    114      -0.4730      0.00000
    115      -0.2389      0.00000
    116       0.0470      0.00000
    117       0.5823      0.00000
    118       0.6889      0.00000
    119       0.7644      0.00000
    120       1.0152      0.00000
    121       1.0935      0.00000
    122       1.1712      0.00000
    123       1.2458      0.00000
    124       1.3327      0.00000
    125       1.4294      0.00000
    126       1.5868      0.00000
    127       1.7634      0.00000
    128       1.8383      0.00000
    129       1.8560      0.00000
    130       1.8828      0.00000
    131       2.0412      0.00000
    132       2.2125      0.00000
    133       2.2258      0.00000
    134       2.2789      0.00000
    135       2.4754      0.00000
    136       2.6090      0.00000
    137       2.6432      0.00000
    138       2.7439      0.00000
    139       2.7885      0.00000
    140       2.8307      0.00000
    141       2.8411      0.00000
    142       2.8769      0.00000
    143       2.9513      0.00000
    144       3.0757      0.00000
    145       3.3095      0.00000
    146       3.3556      0.00000
    147       3.4039      0.00000
    148       3.4184      0.00000
    149       3.4191      0.00000
    150       3.5913      0.00000
    151       3.6496      0.00000
    152       3.6665      0.00000
    153       3.7235      0.00000
    154       3.8881      0.00000
    155       3.9222      0.00000
    156       3.9537      0.00000
    157       4.1101      0.00000
    158       4.1997      0.00000
    159       4.2435      0.00000
    160       4.2792      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2071      1.00000
      2     -22.1175      1.00000
      3     -21.9551      1.00000
      4     -21.4032      1.00000
      5     -21.0442      1.00000
      6     -21.0165      1.00000
      7     -20.4943      1.00000
      8     -20.4651      1.00000
      9     -20.2844      1.00000
     10     -20.2827      1.00000
     11     -19.9557      1.00000
     12     -19.8931      1.00000
     13     -18.8828      1.00000
     14     -18.8159      1.00000
     15     -18.3361      1.00000
     16     -18.3174      1.00000
     17     -18.1484      1.00000
     18     -18.1411      1.00000
     19     -17.8145      1.00000
     20     -17.7969      1.00000
     21     -17.2584      1.00000
     22     -17.2392      1.00000
     23     -17.1589      1.00000
     24     -17.1365      1.00000
     25     -16.1148      1.00000
     26     -15.8799      1.00000
     27     -15.8693      1.00000
     28     -15.8422      1.00000
     29     -15.2304      1.00000
     30     -14.5515      1.00000
     31     -14.5337      1.00000
     32     -14.2756      1.00000
     33     -13.9739      1.00000
     34     -13.9504      1.00000
     35     -13.8254      1.00000
     36     -13.8028      1.00000
     37     -13.6042      1.00000
     38     -13.5794      1.00000
     39     -13.3686      1.00000
     40     -12.6375      1.00000
     41     -12.1697      1.00000
     42     -12.1437      1.00000
     43     -12.0682      1.00000
     44     -12.0217      1.00000
     45     -11.6637      1.00000
     46     -11.6594      1.00000
     47     -11.1383      1.00000
     48     -11.1279      1.00000
     49     -10.7922      1.00000
     50     -10.7366      1.00000
     51     -10.5298      1.00000
     52     -10.2073      1.00000
     53     -10.2014      1.00000
     54     -10.1690      1.00000
     55     -10.0213      1.00000
     56      -9.9931      1.00000
     57      -9.9896      1.00000
     58      -9.8048      1.00000
     59      -9.7954      1.00000
     60      -9.7664      1.00000
     61      -9.7588      1.00000
     62      -9.4576      1.00000
     63      -9.4155      1.00000
     64      -9.0842      1.00000
     65      -9.0457      1.00000
     66      -9.0249      1.00000
     67      -8.9712      1.00000
     68      -8.8963      1.00000
     69      -8.7076      1.00000
     70      -8.6988      1.00000
     71      -8.5630      1.00000
     72      -8.5525      1.00000
     73      -8.4789      1.00000
     74      -8.4608      1.00000
     75      -8.4568      1.00000
     76      -8.3046      1.00000
     77      -8.0930      1.00000
     78      -8.0897      1.00000
     79      -7.9274      1.00000
     80      -7.8335      1.00000
     81      -7.6004      1.00000
     82      -7.5401      1.00000
     83      -7.4533      1.00000
     84      -7.3044      1.00000
     85      -6.9938      1.00000
     86      -6.9206      1.00000
     87      -6.8822      1.00000
     88      -6.5312      1.00000
     89      -6.5165      1.00000
     90      -6.4840      1.00000
     91      -6.4214      1.00000
     92      -5.9256      1.00000
     93      -5.9044      1.00000
     94      -5.7891      1.00000
     95      -5.7748      1.00000
     96      -5.3682      1.00000
     97      -5.3617      1.00000
     98      -5.2202      1.00000
     99      -5.2162      1.00000
    100      -5.1993      1.00000
    101      -4.7187      1.00000
    102      -4.4362      1.00000
    103      -4.1880      1.00000
    104      -3.8135      1.00000
    105      -3.5587      1.00000
    106      -3.2243      1.00000
    107      -2.5636      0.00000
    108      -1.4618      0.00000
    109      -1.2703      0.00000
    110      -1.1885      0.00000
    111      -1.1868      0.00000
    112      -0.6472      0.00000
    113      -0.5558      0.00000
    114      -0.4178      0.00000
    115      -0.3512      0.00000
    116      -0.0813      0.00000
    117      -0.0674      0.00000
    118       0.1229      0.00000
    119       0.5889      0.00000
    120       0.6223      0.00000
    121       0.8495      0.00000
    122       0.9812      0.00000
    123       0.9979      0.00000
    124       1.4869      0.00000
    125       1.6766      0.00000
    126       1.7576      0.00000
    127       1.8509      0.00000
    128       2.1044      0.00000
    129       2.1513      0.00000
    130       2.1898      0.00000
    131       2.2058      0.00000
    132       2.2526      0.00000
    133       2.3516      0.00000
    134       2.4902      0.00000
    135       2.5133      0.00000
    136       2.6574      0.00000
    137       2.8491      0.00000
    138       2.8565      0.00000
    139       2.9478      0.00000
    140       2.9914      0.00000
    141       3.0298      0.00000
    142       3.1314      0.00000
    143       3.1979      0.00000
    144       3.2391      0.00000
    145       3.2405      0.00000
    146       3.2750      0.00000
    147       3.3005      0.00000
    148       3.3504      0.00000
    149       3.4198      0.00000
    150       3.5464      0.00000
    151       3.5607      0.00000
    152       3.6402      0.00000
    153       3.6604      0.00000
    154       3.7072      0.00000
    155       3.7311      0.00000
    156       3.8927      0.00000
    157       3.9510      0.00000
    158       4.0284      0.00000
    159       4.0678      0.00000
    160       4.1765      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2810      1.00000
      2     -22.0768      1.00000
      3     -21.7183      1.00000
      4     -21.6800      1.00000
      5     -20.9809      1.00000
      6     -20.9340      1.00000
      7     -20.6095      1.00000
      8     -20.5775      1.00000
      9     -20.5646      1.00000
     10     -20.0305      1.00000
     11     -19.5124      1.00000
     12     -19.4831      1.00000
     13     -19.3110      1.00000
     14     -19.2981      1.00000
     15     -18.4480      1.00000
     16     -18.4056      1.00000
     17     -17.9272      1.00000
     18     -17.9072      1.00000
     19     -17.7643      1.00000
     20     -17.7202      1.00000
     21     -17.4415      1.00000
     22     -17.4233      1.00000
     23     -17.3368      1.00000
     24     -16.4722      1.00000
     25     -16.4620      1.00000
     26     -15.9689      1.00000
     27     -15.4112      1.00000
     28     -15.4103      1.00000
     29     -15.0963      1.00000
     30     -15.0934      1.00000
     31     -14.8525      1.00000
     32     -14.8406      1.00000
     33     -14.2968      1.00000
     34     -14.2539      1.00000
     35     -13.4436      1.00000
     36     -13.4006      1.00000
     37     -13.1757      1.00000
     38     -13.1744      1.00000
     39     -12.9840      1.00000
     40     -12.9752      1.00000
     41     -12.6114      1.00000
     42     -12.6094      1.00000
     43     -12.1957      1.00000
     44     -11.5806      1.00000
     45     -11.5402      1.00000
     46     -11.3146      1.00000
     47     -11.2847      1.00000
     48     -11.1409      1.00000
     49     -10.6918      1.00000
     50     -10.6653      1.00000
     51     -10.5439      1.00000
     52     -10.3212      1.00000
     53     -10.3137      1.00000
     54     -10.1737      1.00000
     55     -10.1237      1.00000
     56     -10.1101      1.00000
     57      -9.8096      1.00000
     58      -9.7512      1.00000
     59      -9.7512      1.00000
     60      -9.7019      1.00000
     61      -9.6983      1.00000
     62      -9.6456      1.00000
     63      -9.3523      1.00000
     64      -9.3507      1.00000
     65      -9.3215      1.00000
     66      -9.0269      1.00000
     67      -8.9613      1.00000
     68      -8.9565      1.00000
     69      -8.7746      1.00000
     70      -8.5954      1.00000
     71      -8.5855      1.00000
     72      -8.4214      1.00000
     73      -8.3490      1.00000
     74      -8.3232      1.00000
     75      -8.3021      1.00000
     76      -8.2679      1.00000
     77      -8.2567      1.00000
     78      -8.2427      1.00000
     79      -7.9251      1.00000
     80      -7.7363      1.00000
     81      -7.3797      1.00000
     82      -7.3504      1.00000
     83      -7.3140      1.00000
     84      -7.2175      1.00000
     85      -7.1597      1.00000
     86      -7.0689      1.00000
     87      -6.9606      1.00000
     88      -6.9081      1.00000
     89      -6.6177      1.00000
     90      -6.5565      1.00000
     91      -6.2754      1.00000
     92      -5.9955      1.00000
     93      -5.9588      1.00000
     94      -5.6750      1.00000
     95      -5.6483      1.00000
     96      -5.3862      1.00000
     97      -5.3144      1.00000
     98      -5.2934      1.00000
     99      -5.2126      1.00000
    100      -5.2009      1.00000
    101      -4.5044      1.00000
    102      -4.3326      1.00000
    103      -3.9968      1.00000
    104      -3.8861      1.00000
    105      -3.7888      1.00000
    106      -3.4384      1.00000
    107      -2.0340      0.00000
    108      -1.8662      0.00000
    109      -1.2186      0.00000
    110      -1.1870      0.00000
    111      -1.0390      0.00000
    112      -0.7752      0.00000
    113      -0.6813      0.00000
    114      -0.6633      0.00000
    115      -0.6126      0.00000
    116      -0.1058      0.00000
    117       0.2192      0.00000
    118       0.2355      0.00000
    119       0.7645      0.00000
    120       0.9790      0.00000
    121       1.0713      0.00000
    122       1.2357      0.00000
    123       1.2467      0.00000
    124       1.3338      0.00000
    125       1.5720      0.00000
    126       1.5805      0.00000
    127       1.6950      0.00000
    128       1.7890      0.00000
    129       1.9381      0.00000
    130       1.9532      0.00000
    131       2.0881      0.00000
    132       2.2967      0.00000
    133       2.3409      0.00000
    134       2.4129      0.00000
    135       2.5309      0.00000
    136       2.6239      0.00000
    137       2.7724      0.00000
    138       2.8303      0.00000
    139       2.8387      0.00000
    140       2.8616      0.00000
    141       3.0374      0.00000
    142       3.0951      0.00000
    143       3.1443      0.00000
    144       3.2152      0.00000
    145       3.3710      0.00000
    146       3.4133      0.00000
    147       3.4957      0.00000
    148       3.5366      0.00000
    149       3.5859      0.00000
    150       3.6020      0.00000
    151       3.6406      0.00000
    152       3.7277      0.00000
    153       3.7394      0.00000
    154       3.7746      0.00000
    155       3.8210      0.00000
    156       3.8765      0.00000
    157       4.0243      0.00000
    158       4.0816      0.00000
    159       4.1628      0.00000
    160       4.2027      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0434   -7.3960    4.1994   -1.2767   -0.2385   17.6010    0.1400   -0.5294    0.6316   -0.4647
x    -3.0917   -0.0371   -0.0632    0.0619   -0.0109   -2.9777   -0.0100   -0.0068    0.0048    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0002   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0434    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0005   -0.0942   -0.0089    0.0372    0.0391
y    -0.0450   -3.2444   -0.5414   -0.1644   -1.1930   -0.6058
z   204.0434    1.1061   -0.3117    0.0490    0.0206    0.0868   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1125    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.7853
z    -0.2196    0.2318   -0.0553    0.0613   -0.0902    0.0008
 total charge-density along one line
x   212.0000  -10.2271    6.1480   -2.0869   -0.4743   19.5184   -1.0047    0.4784   -0.0482   -0.1249
x    -2.6449   -0.0274   -0.0610    0.0848   -0.0546   -2.2243   -0.0243   -0.0023    0.0051    0.0021
x    -0.0895    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2271    6.1480   -2.0869   -0.4743   19.5184   -1.0047    0.4784   -0.0482   -0.1249
y    -2.6449   -0.0274   -0.0610    0.0848   -0.0546   -2.2243   -0.0243   -0.0023    0.0051    0.0021
y    -0.0895    0.0060   -0.0049    0.0027   -0.0008   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3208  188.8879 -170.1397  154.0536 -140.5052  126.8067 -111.4252   95.0670  -79.2574
z    64.8764  -52.0796   40.9805  -31.9138   25.0416  -19.9744   15.9449  -12.3485    9.0742   -6.3498
z     4.3508   -2.9861    2.0031   -1.2132    0.5851   -0.1554   -0.0930    0.2480   -0.3868    0.5126
z    -0.5773    0.5537   -0.4734    0.3958   -0.3540    0.3357   -0.3104    0.2652   -0.2125    0.1704
z    -0.1439    0.1247   -0.1045    0.0829   -0.0653    0.0546   -0.0484    0.0427   -0.0357    0.0289
z    -0.0241    0.0211   -0.0187    0.0159   -0.0130    0.0103   -0.0082    0.0064   -0.0048    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0002   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.832   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.096   0.000   0.000
  0.000   0.212   0.000   1.567   0.000   0.000  -0.310   0.000   0.628   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.132   0.000  -0.034  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.132   0.000   0.414   0.000   0.077   0.587  -0.238   0.000   0.063   0.000   0.000
  0.000  -0.310   0.000   0.628   0.000   0.000  -0.191   0.000   0.376   0.000   0.000   0.000  -0.051   0.000   0.070   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.034   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.587   0.000   0.163   1.368  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.096   0.000   0.026  -0.093   0.000   0.063   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.070   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.013   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.031   8.933
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.863  89.403   8.031 142.296
 


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


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


    CHARGE:  VPU time   90.31: CPU time   45.53
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  363.15: CPU time  181.93
    STRESS:  VPU time 1092.14: CPU time  548.67
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.96: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.12
 d Force = 0.6314559E-06[ 0.593E-06, 0.670E-06]  d Energy = 0.1265427E-05-0.634E-06
 d Force = 0.1631932E-01[ 0.163E-01, 0.163E-01]  d Ewald  =-0.6362605E+00 0.653E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726586 eV

  energy  without entropy=     -471.726586  energy(sigma->0) =     -471.726586
 

  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    40790.57  40748.94 -47487.24    -36.06      0.00      0.00
  Hartree  40216.95  40200.81 -39474.78    -13.98      0.00      0.00
  E(xc)     -779.36   -779.64   -807.29     -0.25      0.00      0.00
  Local   -83291.76 -83242.91  84277.08     42.30      0.00      0.00
  n-local   -216.77   -215.60   -203.47      0.74      0.00      0.00
  augment     20.07     22.06     17.82      1.72      0.00      0.00
  Kinetic   3162.06   3175.40   3583.66      3.20      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.57     -0.75     -0.30     -0.16      0.00      0.00
  in kB       -0.34     -0.46     -0.18     -0.10      0.00      0.00
  external pressure =       -0.33 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346928802  0.001867388  0.000000000     0.080984732  0.046740295  0.000000000
    -6.171853837 10.693683684  0.000000000    -0.000014142  0.093504984  0.000000000
     0.000000000  0.000000000 19.978403584     0.000000000  0.000000000  0.050054049

  length of vectors
    12.346928943 12.346928789 19.978403584     0.093504984  0.093504985  0.050054049


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.348E-05 -.494E-04 -.950E+03   0.420E-05 -.275E-04 0.959E+03   -.845E-21 0.169E-20 -.869E+01   -.431E-07 0.251E-07 0.159E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.889E+00 -.253E+01   0.254E-04 -.154E-04 0.265E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.889E+00 -.253E+01   -.254E-04 0.154E-04 0.265E-03
   -.201E+01 0.116E+01 0.135E+02   0.201E+01 -.116E+01 -.135E+02   0.114E-02 -.659E-03 -.338E-01   -.183E-03 0.103E-03 0.177E-03
   0.621E+01 0.685E+01 0.164E+02   -.621E+01 -.687E+01 -.164E+02   0.233E-02 0.172E-01 -.369E-01   -.763E-04 0.167E-03 0.112E-03
   0.112E+02 0.507E+01 0.166E+02   -.112E+02 -.507E+01 -.165E+02   0.187E-01 0.779E-02 -.486E-01   -.218E-03 0.180E-03 -.114E-03
   0.469E+01 -.879E+00 0.154E+02   -.471E+01 0.886E+00 -.154E+02   0.160E-01 -.757E-02 -.983E-02   -.272E-03 0.140E-03 -.240E-03
   -.304E+01 -.252E+01 0.138E+02   0.304E+01 0.251E+01 -.138E+02   0.224E-02 0.111E-02 -.455E-02   -.273E-03 0.144E-03 -.916E-04
   0.657E+00 0.389E+01 0.138E+02   -.653E+00 -.389E+01 -.138E+02   0.156E-03 -.249E-02 -.455E-02   -.267E-03 0.159E-03 -.948E-04
   0.247E+01 0.188E+02 0.226E+02   -.247E+01 -.189E+02 -.225E+02   0.203E-03 0.992E-01 -.420E-01   -.227E-03 0.287E-03 -.495E-04
   0.226E+02 0.213E+02 0.403E+02   -.227E+02 -.216E+02 -.402E+02   0.760E-01 0.257E+00 -.721E-01   -.133E-03 0.303E-03 0.106E-03
   0.266E+02 -.342E+01 0.259E+02   -.269E+02 0.352E+01 -.258E+02   0.267E+00 -.109E+00 -.397E-01   -.926E-04 0.283E-04 -.104E-03
   0.911E+01 -.526E+01 0.156E+02   -.915E+01 0.528E+01 -.155E+02   0.426E-01 -.246E-01 -.153E-01   -.340E-03 0.190E-03 -.141E-03
   0.311E+01 -.363E+01 0.154E+02   -.312E+01 0.363E+01 -.154E+02   0.146E-01 -.101E-01 -.983E-02   -.260E-03 0.162E-03 -.247E-03
   -.587E+01 0.135E+02 0.177E+02   0.587E+01 -.136E+02 -.177E+02   0.555E-03 0.696E-01 -.437E-01   -.398E-03 0.953E-04 -.928E-04
   -.118E+02 0.359E+02 0.467E+02   0.118E+02 -.365E+02 -.470E+02   -.297E-01 0.602E+00 0.297E+00   -.485E-03 0.249E-03 -.151E-03
   0.234E+02 -.135E+02 0.914E+02   -.241E+02 0.139E+02 -.934E+02   0.631E+00 -.364E+00 0.202E+01   -.191E-04 0.836E-05 -.370E-03
   0.163E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.258E+02   0.228E+00 -.176E+00 -.397E-01   -.731E-04 0.583E-04 -.109E-03
   0.121E+01 -.122E+02 0.166E+02   -.121E+01 0.122E+02 -.165E+02   0.261E-02 -.201E-01 -.486E-01   -.262E-03 0.980E-04 -.119E-03
   -.411E+01 0.189E+01 0.142E+02   0.412E+01 -.190E+01 -.141E+02   0.196E-02 0.912E-02 -.333E-01   -.185E-03 0.120E-03 -.230E-03
   -.191E+02 0.110E+02 0.224E+02   0.191E+02 -.111E+02 -.224E+02   -.490E-01 0.283E-01 -.463E-01   -.331E-03 0.195E-03 0.358E-04
   -.370E+02 -.776E+01 0.467E+02   0.375E+02 0.803E+01 -.470E+02   -.536E+00 -.275E+00 0.297E+00   -.454E-03 0.295E-03 -.148E-03
   -.715E+01 -.302E+02 0.403E+02   0.734E+01 0.304E+02 -.402E+02   -.185E+00 -.194E+00 -.721E-01   -.326E-03 -.410E-04 0.105E-03
   -.283E+01 -.880E+01 0.164E+02   0.285E+01 0.881E+01 -.164E+02   -.138E-01 -.106E-01 -.369E-01   -.181E-03 -.194E-04 0.112E-03
   0.141E+01 -.815E+00 0.129E+02   -.141E+01 0.814E+00 -.129E+02   0.189E-02 -.109E-02 -.306E-01   -.247E-03 0.145E-03 0.813E-04
   -.370E+01 0.262E+01 0.142E+02   0.371E+01 -.261E+01 -.141E+02   -.691E-02 -.626E-02 -.333E-01   -.194E-03 0.105E-03 -.226E-03
   -.146E+02 -.167E+01 0.177E+02   0.147E+02 0.171E+01 -.177E+02   -.600E-01 -.353E-01 -.437E-01   -.280E-03 0.296E-03 -.860E-04
   -.150E+02 -.115E+02 0.226E+02   0.151E+02 0.116E+02 -.225E+02   -.858E-01 -.498E-01 -.420E-01   -.360E-03 0.478E-04 -.469E-04
   0.283E+01 0.880E+01 0.164E+02   -.285E+01 -.881E+01 -.164E+02   0.138E-01 0.106E-01 -.369E-01   0.181E-03 0.194E-04 0.112E-03
   0.150E+02 0.115E+02 0.226E+02   -.151E+02 -.116E+02 -.225E+02   0.858E-01 0.498E-01 -.420E-01   0.360E-03 -.478E-04 -.469E-04
   0.146E+02 0.167E+01 0.177E+02   -.147E+02 -.171E+01 -.177E+02   0.600E-01 0.353E-01 -.437E-01   0.280E-03 -.296E-03 -.860E-04
   0.370E+01 -.262E+01 0.142E+02   -.371E+01 0.261E+01 -.141E+02   0.691E-02 0.626E-02 -.333E-01   0.194E-03 -.105E-03 -.226E-03
   -.141E+01 0.815E+00 0.129E+02   0.141E+01 -.814E+00 -.129E+02   -.189E-02 0.109E-02 -.306E-01   0.247E-03 -.145E-03 0.813E-04
   -.121E+01 0.122E+02 0.166E+02   0.121E+01 -.122E+02 -.165E+02   -.261E-02 0.201E-01 -.486E-01   0.262E-03 -.980E-04 -.119E-03
   0.715E+01 0.302E+02 0.403E+02   -.734E+01 -.304E+02 -.402E+02   0.185E+00 0.194E+00 -.721E-01   0.326E-03 0.410E-04 0.105E-03
   0.370E+02 0.776E+01 0.467E+02   -.375E+02 -.803E+01 -.470E+02   0.536E+00 0.275E+00 0.297E+00   0.454E-03 -.295E-03 -.148E-03
   0.191E+02 -.110E+02 0.224E+02   -.191E+02 0.111E+02 -.224E+02   0.490E-01 -.283E-01 -.463E-01   0.331E-03 -.195E-03 0.358E-04
   0.411E+01 -.189E+01 0.142E+02   -.412E+01 0.190E+01 -.141E+02   -.196E-02 -.912E-02 -.333E-01   0.185E-03 -.120E-03 -.230E-03
   -.311E+01 0.363E+01 0.154E+02   0.312E+01 -.363E+01 -.154E+02   -.146E-01 0.101E-01 -.983E-02   0.260E-03 -.162E-03 -.247E-03
   -.163E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.258E+02   -.228E+00 0.176E+00 -.397E-01   0.731E-04 -.583E-04 -.109E-03
   -.234E+02 0.135E+02 0.914E+02   0.241E+02 -.139E+02 -.934E+02   -.631E+00 0.364E+00 0.202E+01   0.191E-04 -.835E-05 -.370E-03
   0.118E+02 -.359E+02 0.467E+02   -.118E+02 0.365E+02 -.470E+02   0.297E-01 -.602E+00 0.297E+00   0.485E-03 -.249E-03 -.151E-03
   0.587E+01 -.135E+02 0.177E+02   -.587E+01 0.136E+02 -.177E+02   -.555E-03 -.696E-01 -.437E-01   0.398E-03 -.953E-04 -.928E-04
   -.657E+00 -.389E+01 0.138E+02   0.653E+00 0.389E+01 -.138E+02   -.156E-03 0.249E-02 -.455E-02   0.267E-03 -.159E-03 -.948E-04
   -.911E+01 0.526E+01 0.156E+02   0.915E+01 -.528E+01 -.155E+02   -.426E-01 0.246E-01 -.153E-01   0.340E-03 -.190E-03 -.141E-03
   -.266E+02 0.342E+01 0.259E+02   0.269E+02 -.352E+01 -.258E+02   -.267E+00 0.109E+00 -.397E-01   0.926E-04 -.283E-04 -.104E-03
   -.226E+02 -.213E+02 0.403E+02   0.227E+02 0.216E+02 -.402E+02   -.760E-01 -.257E+00 -.721E-01   0.133E-03 -.303E-03 0.106E-03
   -.247E+01 -.188E+02 0.226E+02   0.247E+01 0.189E+02 -.225E+02   -.203E-03 -.992E-01 -.420E-01   0.227E-03 -.287E-03 -.495E-04
   0.201E+01 -.116E+01 0.135E+02   -.201E+01 0.116E+01 -.135E+02   -.114E-02 0.659E-03 -.338E-01   0.183E-03 -.103E-03 0.177E-03
   0.304E+01 0.252E+01 0.138E+02   -.304E+01 -.251E+01 -.138E+02   -.224E-02 -.111E-02 -.455E-02   0.274E-03 -.144E-03 -.916E-04
   -.469E+01 0.879E+00 0.154E+02   0.471E+01 -.886E+00 -.154E+02   -.160E-01 0.757E-02 -.983E-02   0.272E-03 -.140E-03 -.240E-03
   -.112E+02 -.507E+01 0.166E+02   0.112E+02 0.507E+01 -.165E+02   -.187E-01 -.779E-02 -.486E-01   0.218E-03 -.180E-03 -.114E-03
   -.621E+01 -.685E+01 0.164E+02   0.621E+01 0.687E+01 -.164E+02   -.233E-02 -.172E-01 -.369E-01   0.763E-04 -.167E-03 0.112E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.300E-03 0.101E+02   -.790E-13 0.153E-12 -.149E-12   -.139E-16 -.427E-15 -.101E+02   -.337E-07 0.196E-07 -.174E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85295      6.06056     12.33513         0.000000      0.000000     -0.019337
      1.07881      6.50751     13.59674        -0.003674      0.002121      0.001463
      2.62709      5.61361     13.59674         0.003674     -0.002121      0.001463
     -0.00006      0.00004      9.97648         0.005532     -0.003194     -0.009642
     -1.23468      2.13744      9.97667         0.004254     -0.005677     -0.005230
     -2.46971      4.27728      9.98222        -0.002950     -0.000413      0.003943
     -3.70358      6.41630      9.97942         0.001839     -0.000254      0.007135
     -4.93747      8.55497      9.97723         0.002867     -0.002367      0.002832
      2.46937      0.00035      9.97723         0.003483     -0.001300      0.002832
      1.23423      2.13760      9.98065         0.001515     -0.001555      0.001496
     -0.00207      4.27216      9.99456        -0.003938      0.000064     -0.007392
     -1.23788      6.41726     10.00607         0.001747     -0.002902     -0.002324
     -2.46846      8.55553      9.98353        -0.001293      0.000747      0.000759
      4.93846      0.00110      9.97942         0.001140     -0.001466      0.007135
      3.70477      2.13774      9.98823         0.002826     -0.003698      0.000566
      2.47075      4.26989     10.02745        -0.000651     -0.002950      0.001252
      1.22983      6.42032     10.03694         0.003327     -0.001921      0.011136
     -0.00137      8.55895     10.00607         0.003387     -0.000062     -0.002324
      7.40784      0.00205      9.98222        -0.001118      0.002761      0.003943
      6.17347      2.13990      9.97913         0.004125     -0.001520      0.007779
      4.94003      4.27824      9.99813         0.003697     -0.002134     -0.008407
      3.71262      6.42087     10.02745         0.002229      0.002039      0.001252
      2.47425      8.56126      9.99456        -0.002024      0.003378     -0.007392
      9.87852      0.00241      9.97667         0.007044     -0.000846     -0.005230
      8.64309      2.14028      9.97650         0.002577     -0.001488     -0.005756
      7.40860      4.27922      9.97913         0.003379     -0.002812      0.007779
      6.17613      6.41826      9.98823         0.004616     -0.000598      0.000566
      4.94098      8.55787      9.98065         0.002104     -0.000535      0.001496
     -0.00076      1.42503      9.97667        -0.007044      0.000846     -0.005230
     -1.23508      3.56325      9.98065        -0.002104      0.000535      0.001496
     -2.47022      5.70287      9.98823        -0.004616      0.000598      0.000566
     -3.70270      7.84190      9.97913        -0.003379      0.002812      0.007779
     -4.93719      9.98085      9.97650        -0.002577      0.001488     -0.005756
      2.46991      1.42539      9.98222         0.001118     -0.002761      0.003943
      1.23166      3.55987      9.99456         0.002024     -0.003378     -0.007392
     -0.00671      5.70026     10.02745        -0.002229     -0.002039      0.001252
     -1.23413      7.84289      9.99813        -0.003697      0.002134     -0.008407
     -2.46756      9.98123      9.97913        -0.004125      0.001520      0.007779
      4.93930      1.42634      9.97942        -0.001140      0.001466      0.007135
      3.70727      3.56218     10.00607        -0.003387      0.000062     -0.002324
      2.47608      5.70080     10.03694        -0.003327      0.001921      0.011136
      1.23515      7.85123     10.02745         0.000651      0.002950      0.001252
      0.00113      9.98339      9.98823        -0.002826      0.003698      0.000566
      7.40839      1.42709      9.97723        -0.003483      0.001300      0.002832
      6.17436      3.56560      9.98353         0.001293     -0.000747      0.000759
      4.94378      5.70387     10.00607        -0.001747      0.002902     -0.002324
      3.70797      7.84897      9.99456         0.003938     -0.000064     -0.007392
      2.47167      9.98353      9.98065        -0.001515      0.001555      0.001496
      9.87782      1.42741      9.97648        -0.005532      0.003194     -0.009642
      8.64338      3.56615      9.97723        -0.002867      0.002367      0.002832
      7.40948      5.70482      9.97942        -0.001839      0.000254      0.007135
      6.17561      7.84385      9.98222         0.002950      0.000413      0.003943
      4.94058      9.98369      9.97667        -0.004254      0.005677     -0.005230
 -----------------------------------------------------------------------------------
    total drift:                               -0.001811      0.000300     -0.003720


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




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


    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  153.77: CPU time   76.94
     LOOP+:  VPU time 4065.84: CPU time 2085.74


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


    POTLOK:  VPU time    7.85: CPU time    7.70
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1475.83: CPU time  753.69
 BZINTS: Fermi energy: -3.215273;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.42: CPU time   45.53
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1574.55: CPU time  807.36

 eigenvalue-minimisations  :  6032
 total energy-change (2. order) :-0.4717268E+03  (-0.1964150E-02)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9581679 magnetization   -0.0000005

 Broyden mixing:
  rms(total) = 0.51416E-02    rms(broyden)= 0.51402E-02
  rms(prec ) = 0.58206E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34074.29675991
  -1/2 Hartree   DENC   =    -40962.79918032
  -V(xc)+E(xc)   XCENC  =       726.49784430
  PAW double counting   =      4092.21230180    -4130.53446478
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2476.83995449
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72683998 eV

  energy without entropy =     -471.72683998  energy(sigma->0) =     -471.72683998


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




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


    POTLOK:  VPU time    7.68: CPU time    7.68
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1313.67: CPU time  671.27
 BZINTS: Fermi energy: -3.191792;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1321.70: CPU time  679.27

 eigenvalue-minimisations  :  5136
 total energy-change (2. order) : 0.9383727E-04  (-0.3630858E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9581679 magnetization   -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34074.29675991
  -1/2 Hartree   DENC   =    -40963.42272023
  -V(xc)+E(xc)   XCENC  =       726.51857547
  PAW double counting   =      4092.81598809    -4131.14171418
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2476.23348881
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72674615 eV

  energy without entropy =     -471.72674615  energy(sigma->0) =     -471.72674615


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2099       2 -39.5390       3 -39.5390       4 -58.3246       5 -58.3281
       6 -58.3304       7 -58.3254       8 -58.3262       9 -58.3262      10 -58.3310
      11 -58.3963      12 -58.3609      13 -58.3337      14 -58.3254      15 -58.3349
      16 -58.5491      17 -58.7349      18 -58.3609      19 -58.3304      20 -58.3309
      21 -58.3672      22 -58.5491      23 -58.3964      24 -58.3281      25 -58.3337
      26 -58.3309      27 -58.3349      28 -58.3310      29 -58.3280      30 -58.3309
      31 -58.3347      32 -58.3308      33 -58.3336      34 -58.3303      35 -58.3962
      36 -58.5490      37 -58.3671      38 -58.3308      39 -58.3253      40 -58.3608
      41 -58.7348      42 -58.5490      43 -58.3348      44 -58.3261      45 -58.3336
      46 -58.3608      47 -58.3963      48 -58.3309      49 -58.3245      50 -58.3261
      51 -58.3253      52 -58.3303      53 -58.3280
 
 
 
 E-fermi :  -3.1918     XC(G=0):  -2.3504     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4330      1.00000
      2     -21.6077      1.00000
      3     -21.4885      1.00000
      4     -21.4796      1.00000
      5     -21.4487      1.00000
      6     -21.4482      1.00000
      7     -21.4379      1.00000
      8     -19.7133      1.00000
      9     -19.6593      1.00000
     10     -19.6371      1.00000
     11     -19.6259      1.00000
     12     -19.6210      1.00000
     13     -19.6198      1.00000
     14     -18.7966      1.00000
     15     -18.7616      1.00000
     16     -18.7425      1.00000
     17     -18.7335      1.00000
     18     -18.7255      1.00000
     19     -18.7208      1.00000
     20     -16.6415      1.00000
     21     -16.6155      1.00000
     22     -16.5931      1.00000
     23     -16.5894      1.00000
     24     -16.5621      1.00000
     25     -16.5610      1.00000
     26     -15.6220      1.00000
     27     -15.6097      1.00000
     28     -15.6060      1.00000
     29     -15.5727      1.00000
     30     -15.5709      1.00000
     31     -15.5690      1.00000
     32     -14.2669      1.00000
     33     -14.2580      1.00000
     34     -14.2487      1.00000
     35     -14.2437      1.00000
     36     -14.2301      1.00000
     37     -14.2275      1.00000
     38     -11.9133      1.00000
     39     -11.8870      1.00000
     40     -11.8757      1.00000
     41     -11.8726      1.00000
     42     -11.8529      1.00000
     43     -11.8529      1.00000
     44     -11.7785      1.00000
     45     -11.7767      1.00000
     46     -11.7434      1.00000
     47     -11.7372      1.00000
     48     -11.7340      1.00000
     49     -11.7302      1.00000
     50     -10.6773      1.00000
     51     -10.3958      1.00000
     52     -10.3917      1.00000
     53     -10.3845      1.00000
     54     -10.3766      1.00000
     55     -10.3643      1.00000
     56     -10.3615      1.00000
     57      -9.9054      1.00000
     58      -9.4537      1.00000
     59      -9.4106      1.00000
     60      -9.3684      1.00000
     61      -9.3676      1.00000
     62      -9.3599      1.00000
     63      -9.1494      1.00000
     64      -9.1311      1.00000
     65      -9.1286      1.00000
     66      -9.0937      1.00000
     67      -9.0797      1.00000
     68      -9.0790      1.00000
     69      -9.0783      1.00000
     70      -9.0737      1.00000
     71      -9.0726      1.00000
     72      -9.0470      1.00000
     73      -9.0372      1.00000
     74      -9.0349      1.00000
     75      -8.1398      1.00000
     76      -7.7343      1.00000
     77      -7.4782      1.00000
     78      -7.4748      1.00000
     79      -7.4624      1.00000
     80      -7.4428      1.00000
     81      -7.4333      1.00000
     82      -7.4155      1.00000
     83      -7.3173      1.00000
     84      -7.2756      1.00000
     85      -7.2629      1.00000
     86      -7.2546      1.00000
     87      -7.1608      1.00000
     88      -7.0489      1.00000
     89      -6.4518      1.00000
     90      -6.4206      1.00000
     91      -6.4061      1.00000
     92      -6.3691      1.00000
     93      -6.3588      1.00000
     94      -6.3451      1.00000
     95      -5.9684      1.00000
     96      -5.9661      1.00000
     97      -4.8000      1.00000
     98      -4.5458      1.00000
     99      -4.4859      1.00000
    100      -4.4766      1.00000
    101      -4.3886      1.00000
    102      -4.3885      1.00000
    103      -4.2697      1.00000
    104      -4.1878      1.00000
    105      -3.7380      1.00000
    106      -3.4739      1.00000
    107      -1.8654      0.00000
    108      -1.6800      0.00000
    109      -1.6301      0.00000
    110      -1.5982      0.00000
    111      -1.5831      0.00000
    112      -1.5823      0.00000
    113      -0.4322      0.00000
    114       0.1364      0.00000
    115       0.1856      0.00000
    116       0.2485      0.00000
    117       0.2604      0.00000
    118       0.2639      0.00000
    119       0.4684      0.00000
    120       0.5376      0.00000
    121       1.2373      0.00000
    122       1.2838      0.00000
    123       1.5124      0.00000
    124       1.7631      0.00000
    125       1.7657      0.00000
    126       1.7659      0.00000
    127       1.8051      0.00000
    128       1.8223      0.00000
    129       1.9508      0.00000
    130       1.9601      0.00000
    131       1.9668      0.00000
    132       1.9813      0.00000
    133       1.9889      0.00000
    134       2.0655      0.00000
    135       2.2342      0.00000
    136       2.3350      0.00000
    137       2.5930      0.00000
    138       2.5958      0.00000
    139       2.6192      0.00000
    140       2.7002      0.00000
    141       2.9308      0.00000
    142       3.0487      0.00000
    143       3.0707      0.00000
    144       3.0995      0.00000
    145       3.1058      0.00000
    146       3.1073      0.00000
    147       3.1124      0.00000
    148       3.2621      0.00000
    149       3.4420      0.00000
    150       3.4975      0.00000
    151       3.8186      0.00000
    152       3.9525      0.00000
    153       3.9545      0.00000
    154       3.9551      0.00000
    155       3.9600      0.00000
    156       3.9928      0.00000
    157       4.1816      0.00000
    158       4.2557      0.00000
    159       4.2670      0.00000
    160       4.2772      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3962      1.00000
      2     -21.8370      1.00000
      3     -21.6453      1.00000
      4     -21.6179      1.00000
      5     -21.2814      1.00000
      6     -21.2429      1.00000
      7     -21.0646      1.00000
      8     -20.1745      1.00000
      9     -20.1372      1.00000
     10     -19.6156      1.00000
     11     -19.6047      1.00000
     12     -19.4249      1.00000
     13     -19.0965      1.00000
     14     -19.0674      1.00000
     15     -19.0568      1.00000
     16     -19.0491      1.00000
     17     -18.3682      1.00000
     18     -18.3597      1.00000
     19     -18.0269      1.00000
     20     -17.0762      1.00000
     21     -17.0383      1.00000
     22     -16.9524      1.00000
     23     -16.9474      1.00000
     24     -16.4755      1.00000
     25     -16.4706      1.00000
     26     -15.6212      1.00000
     27     -15.6150      1.00000
     28     -15.2602      1.00000
     29     -15.2514      1.00000
     30     -15.1926      1.00000
     31     -15.1059      1.00000
     32     -15.0793      1.00000
     33     -14.7062      1.00000
     34     -14.7040      1.00000
     35     -13.7344      1.00000
     36     -13.7314      1.00000
     37     -13.2440      1.00000
     38     -12.6222      1.00000
     39     -12.5923      1.00000
     40     -12.4625      1.00000
     41     -12.4585      1.00000
     42     -12.1176      1.00000
     43     -12.1125      1.00000
     44     -11.7245      1.00000
     45     -11.6940      1.00000
     46     -11.2429      1.00000
     47     -11.2342      1.00000
     48     -11.0260      1.00000
     49     -11.0182      1.00000
     50     -10.9342      1.00000
     51     -10.9131      1.00000
     52     -10.6317      1.00000
     53     -10.1636      1.00000
     54     -10.1587      1.00000
     55     -10.1003      1.00000
     56     -10.0018      1.00000
     57      -9.7101      1.00000
     58      -9.7034      1.00000
     59      -9.6620      1.00000
     60      -9.5983      1.00000
     61      -9.5841      1.00000
     62      -9.5657      1.00000
     63      -9.3161      1.00000
     64      -9.3117      1.00000
     65      -9.2793      1.00000
     66      -9.2437      1.00000
     67      -9.1417      1.00000
     68      -9.1250      1.00000
     69      -9.1190      1.00000
     70      -8.9455      1.00000
     71      -8.8799      1.00000
     72      -8.6125      1.00000
     73      -8.5992      1.00000
     74      -8.2431      1.00000
     75      -8.1096      1.00000
     76      -7.9139      1.00000
     77      -7.8716      1.00000
     78      -7.7808      1.00000
     79      -7.7658      1.00000
     80      -7.6999      1.00000
     81      -7.5565      1.00000
     82      -7.3481      1.00000
     83      -7.3315      1.00000
     84      -7.2105      1.00000
     85      -7.1263      1.00000
     86      -7.0374      1.00000
     87      -7.0204      1.00000
     88      -6.7099      1.00000
     89      -6.6837      1.00000
     90      -6.6467      1.00000
     91      -6.6020      1.00000
     92      -6.1254      1.00000
     93      -6.0685      1.00000
     94      -6.0385      1.00000
     95      -6.0166      1.00000
     96      -5.7886      1.00000
     97      -4.9730      1.00000
     98      -4.8362      1.00000
     99      -4.7522      1.00000
    100      -4.6851      1.00000
    101      -4.4656      1.00000
    102      -4.2025      1.00000
    103      -4.1754      1.00000
    104      -4.1326      1.00000
    105      -3.7288      1.00000
    106      -3.4838      1.00000
    107      -1.8756      0.00000
    108      -1.8172      0.00000
    109      -1.5292      0.00000
    110      -1.3847      0.00000
    111      -1.3287      0.00000
    112      -1.2952      0.00000
    113      -0.7257      0.00000
    114      -0.3821      0.00000
    115      -0.2575      0.00000
    116       0.0298      0.00000
    117       0.5451      0.00000
    118       0.6901      0.00000
    119       0.7386      0.00000
    120       1.0395      0.00000
    121       1.0922      0.00000
    122       1.1413      0.00000
    123       1.2190      0.00000
    124       1.3699      0.00000
    125       1.5095      0.00000
    126       1.5663      0.00000
    127       1.7072      0.00000
    128       1.8132      0.00000
    129       1.8512      0.00000
    130       1.8736      0.00000
    131       2.0861      0.00000
    132       2.1736      0.00000
    133       2.2307      0.00000
    134       2.2932      0.00000
    135       2.5018      0.00000
    136       2.5751      0.00000
    137       2.6450      0.00000
    138       2.7685      0.00000
    139       2.7893      0.00000
    140       2.8203      0.00000
    141       2.8661      0.00000
    142       2.8889      0.00000
    143       2.9442      0.00000
    144       3.0645      0.00000
    145       3.1437      0.00000
    146       3.3059      0.00000
    147       3.3880      0.00000
    148       3.4334      0.00000
    149       3.4603      0.00000
    150       3.6127      0.00000
    151       3.6420      0.00000
    152       3.6655      0.00000
    153       3.7089      0.00000
    154       3.9020      0.00000
    155       3.9507      0.00000
    156       4.0050      0.00000
    157       4.0580      0.00000
    158       4.2303      0.00000
    159       4.2445      0.00000
    160       4.2657      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2899      1.00000
      2     -22.0852      1.00000
      3     -21.7236      1.00000
      4     -21.6924      1.00000
      5     -20.9861      1.00000
      6     -20.9465      1.00000
      7     -20.6187      1.00000
      8     -20.5828      1.00000
      9     -20.5768      1.00000
     10     -20.0402      1.00000
     11     -19.5104      1.00000
     12     -19.4988      1.00000
     13     -19.3143      1.00000
     14     -19.3091      1.00000
     15     -18.4548      1.00000
     16     -18.4189      1.00000
     17     -17.9299      1.00000
     18     -17.9203      1.00000
     19     -17.7688      1.00000
     20     -17.7339      1.00000
     21     -17.4438      1.00000
     22     -17.4360      1.00000
     23     -17.3490      1.00000
     24     -16.4703      1.00000
     25     -16.4691      1.00000
     26     -15.9748      1.00000
     27     -15.4213      1.00000
     28     -15.4166      1.00000
     29     -15.1038      1.00000
     30     -15.1010      1.00000
     31     -14.8631      1.00000
     32     -14.8553      1.00000
     33     -14.2982      1.00000
     34     -14.2658      1.00000
     35     -13.4446      1.00000
     36     -13.4125      1.00000
     37     -13.1855      1.00000
     38     -13.1816      1.00000
     39     -12.9896      1.00000
     40     -12.9848      1.00000
     41     -12.6214      1.00000
     42     -12.6174      1.00000
     43     -12.2062      1.00000
     44     -11.5837      1.00000
     45     -11.5504      1.00000
     46     -11.3181      1.00000
     47     -11.2956      1.00000
     48     -11.1505      1.00000
     49     -10.6823      1.00000
     50     -10.6689      1.00000
     51     -10.5540      1.00000
     52     -10.3323      1.00000
     53     -10.3255      1.00000
     54     -10.1760      1.00000
     55     -10.1233      1.00000
     56     -10.1198      1.00000
     57      -9.8032      1.00000
     58      -9.7737      1.00000
     59      -9.7588      1.00000
     60      -9.7082      1.00000
     61      -9.7068      1.00000
     62      -9.6669      1.00000
     63      -9.3640      1.00000
     64      -9.3590      1.00000
     65      -9.3232      1.00000
     66      -9.0454      1.00000
     67      -8.9715      1.00000
     68      -8.9569      1.00000
     69      -8.8040      1.00000
     70      -8.6015      1.00000
     71      -8.5641      1.00000
     72      -8.4025      1.00000
     73      -8.3706      1.00000
     74      -8.3325      1.00000
     75      -8.3147      1.00000
     76      -8.2676      1.00000
     77      -8.2660      1.00000
     78      -8.2446      1.00000
     79      -7.9130      1.00000
     80      -7.6550      1.00000
     81      -7.5453      1.00000
     82      -7.3951      1.00000
     83      -7.3581      1.00000
     84      -7.2403      1.00000
     85      -7.1032      1.00000
     86      -7.0429      1.00000
     87      -6.9401      1.00000
     88      -6.8504      1.00000
     89      -6.6207      1.00000
     90      -6.5683      1.00000
     91      -6.2782      1.00000
     92      -6.0476      1.00000
     93      -5.9571      1.00000
     94      -5.6679      1.00000
     95      -5.6278      1.00000
     96      -5.4654      1.00000
     97      -5.3250      1.00000
     98      -5.2845      1.00000
     99      -5.2202      1.00000
    100      -5.1995      1.00000
    101      -4.5020      1.00000
    102      -4.2057      1.00000
    103      -4.0599      1.00000
    104      -3.9944      1.00000
    105      -3.6950      1.00000
    106      -3.4939      1.00000
    107      -1.9522      0.00000
    108      -1.9048      0.00000
    109      -1.3419      0.00000
    110      -1.0920      0.00000
    111      -1.0655      0.00000
    112      -0.8068      0.00000
    113      -0.6854      0.00000
    114      -0.6539      0.00000
    115      -0.6144      0.00000
    116      -0.1149      0.00000
    117       0.2079      0.00000
    118       0.3214      0.00000
    119       0.6848      0.00000
    120       0.8764      0.00000
    121       1.1170      0.00000
    122       1.1913      0.00000
    123       1.3174      0.00000
    124       1.4090      0.00000
    125       1.5453      0.00000
    126       1.5680      0.00000
    127       1.6675      0.00000
    128       1.8021      0.00000
    129       1.8655      0.00000
    130       2.0430      0.00000
    131       2.1260      0.00000
    132       2.3258      0.00000
    133       2.3544      0.00000
    134       2.3852      0.00000
    135       2.5290      0.00000
    136       2.6226      0.00000
    137       2.7193      0.00000
    138       2.7646      0.00000
    139       2.8316      0.00000
    140       2.8760      0.00000
    141       3.0392      0.00000
    142       3.0489      0.00000
    143       3.1509      0.00000
    144       3.2539      0.00000
    145       3.3479      0.00000
    146       3.4048      0.00000
    147       3.4222      0.00000
    148       3.5590      0.00000
    149       3.5752      0.00000
    150       3.5905      0.00000
    151       3.6492      0.00000
    152       3.6631      0.00000
    153       3.7714      0.00000
    154       3.7955      0.00000
    155       3.8116      0.00000
    156       3.8857      0.00000
    157       3.9112      0.00000
    158       3.9849      0.00000
    159       4.2026      0.00000
    160       4.2183      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3241      1.00000
      2     -21.9692      1.00000
      3     -21.9016      1.00000
      4     -21.3879      1.00000
      5     -21.3591      1.00000
      6     -20.8464      1.00000
      7     -20.7826      1.00000
      8     -20.6316      1.00000
      9     -20.0847      1.00000
     10     -20.0791      1.00000
     11     -19.7244      1.00000
     12     -19.7000      1.00000
     13     -19.0036      1.00000
     14     -18.9980      1.00000
     15     -18.6478      1.00000
     16     -18.6321      1.00000
     17     -18.4700      1.00000
     18     -17.6824      1.00000
     19     -17.6329      1.00000
     20     -17.6301      1.00000
     21     -17.5891      1.00000
     22     -17.1340      1.00000
     23     -17.1126      1.00000
     24     -16.9693      1.00000
     25     -16.0091      1.00000
     26     -15.9367      1.00000
     27     -15.5935      1.00000
     28     -15.5933      1.00000
     29     -15.2946      1.00000
     30     -14.8718      1.00000
     31     -14.8447      1.00000
     32     -14.5869      1.00000
     33     -14.5460      1.00000
     34     -14.1756      1.00000
     35     -14.1626      1.00000
     36     -13.1561      1.00000
     37     -13.1084      1.00000
     38     -13.0386      1.00000
     39     -13.0283      1.00000
     40     -12.7174      1.00000
     41     -12.7135      1.00000
     42     -12.3486      1.00000
     43     -12.3181      1.00000
     44     -11.6433      1.00000
     45     -11.6298      1.00000
     46     -11.5796      1.00000
     47     -10.9566      1.00000
     48     -10.9244      1.00000
     49     -10.6372      1.00000
     50     -10.6331      1.00000
     51     -10.5519      1.00000
     52     -10.5071      1.00000
     53     -10.5065      1.00000
     54     -10.4484      1.00000
     55     -10.3697      1.00000
     56     -10.1035      1.00000
     57      -9.9091      1.00000
     58      -9.6176      1.00000
     59      -9.5662      1.00000
     60      -9.4590      1.00000
     61      -9.4198      1.00000
     62      -9.4120      1.00000
     63      -9.3866      1.00000
     64      -9.3858      1.00000
     65      -9.2916      1.00000
     66      -9.1763      1.00000
     67      -9.1509      1.00000
     68      -9.1223      1.00000
     69      -8.8720      1.00000
     70      -8.8650      1.00000
     71      -8.8205      1.00000
     72      -8.6027      1.00000
     73      -8.4854      1.00000
     74      -8.2067      1.00000
     75      -8.1717      1.00000
     76      -8.0171      1.00000
     77      -7.9613      1.00000
     78      -7.8600      1.00000
     79      -7.8497      1.00000
     80      -7.7145      1.00000
     81      -7.7053      1.00000
     82      -7.6297      1.00000
     83      -7.4496      1.00000
     84      -7.3099      1.00000
     85      -7.2500      1.00000
     86      -6.9144      1.00000
     87      -6.9013      1.00000
     88      -6.5943      1.00000
     89      -6.5556      1.00000
     90      -6.4163      1.00000
     91      -6.2588      1.00000
     92      -6.2374      1.00000
     93      -6.2133      1.00000
     94      -6.0281      1.00000
     95      -5.5544      1.00000
     96      -5.4937      1.00000
     97      -5.3540      1.00000
     98      -5.2263      1.00000
     99      -4.9845      1.00000
    100      -4.7332      1.00000
    101      -4.6824      1.00000
    102      -4.3863      1.00000
    103      -4.2011      1.00000
    104      -3.8681      1.00000
    105      -3.5512      1.00000
    106      -3.5051      1.00000
    107      -2.2643      0.00000
    108      -1.4595      0.00000
    109      -1.3789      0.00000
    110      -1.2493      0.00000
    111      -1.1036      0.00000
    112      -0.9520      0.00000
    113      -0.8709      0.00000
    114      -0.8107      0.00000
    115      -0.1459      0.00000
    116       0.1024      0.00000
    117       0.2337      0.00000
    118       0.3702      0.00000
    119       0.6423      0.00000
    120       0.8271      0.00000
    121       0.9290      0.00000
    122       1.0535      0.00000
    123       1.2237      0.00000
    124       1.4345      0.00000
    125       1.5395      0.00000
    126       1.7587      0.00000
    127       1.7836      0.00000
    128       1.8650      0.00000
    129       1.9553      0.00000
    130       2.0370      0.00000
    131       2.1623      0.00000
    132       2.1867      0.00000
    133       2.4002      0.00000
    134       2.4677      0.00000
    135       2.5306      0.00000
    136       2.5966      0.00000
    137       2.6328      0.00000
    138       2.6862      0.00000
    139       2.7708      0.00000
    140       2.8213      0.00000
    141       2.9383      0.00000
    142       3.0735      0.00000
    143       3.1875      0.00000
    144       3.2140      0.00000
    145       3.2571      0.00000
    146       3.3188      0.00000
    147       3.3247      0.00000
    148       3.4573      0.00000
    149       3.4861      0.00000
    150       3.6886      0.00000
    151       3.7000      0.00000
    152       3.7156      0.00000
    153       3.8483      0.00000
    154       3.9046      0.00000
    155       3.9364      0.00000
    156       3.9702      0.00000
    157       4.0140      0.00000
    158       4.0245      0.00000
    159       4.0389      0.00000
    160       4.0673      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2160      1.00000
      2     -22.1255      1.00000
      3     -21.9644      1.00000
      4     -21.4116      1.00000
      5     -21.0567      1.00000
      6     -21.0215      1.00000
      7     -20.5075      1.00000
      8     -20.4688      1.00000
      9     -20.3026      1.00000
     10     -20.2835      1.00000
     11     -19.9644      1.00000
     12     -19.8998      1.00000
     13     -18.8892      1.00000
     14     -18.8218      1.00000
     15     -18.3598      1.00000
     16     -18.3147      1.00000
     17     -18.1608      1.00000
     18     -18.1438      1.00000
     19     -17.8340      1.00000
     20     -17.7974      1.00000
     21     -17.2597      1.00000
     22     -17.2491      1.00000
     23     -17.1730      1.00000
     24     -17.1406      1.00000
     25     -16.1178      1.00000
     26     -15.8929      1.00000
     27     -15.8780      1.00000
     28     -15.8418      1.00000
     29     -15.2446      1.00000
     30     -14.5626      1.00000
     31     -14.5351      1.00000
     32     -14.2884      1.00000
     33     -13.9721      1.00000
     34     -13.9645      1.00000
     35     -13.8288      1.00000
     36     -13.8127      1.00000
     37     -13.6222      1.00000
     38     -13.5793      1.00000
     39     -13.3779      1.00000
     40     -12.6425      1.00000
     41     -12.1885      1.00000
     42     -12.1416      1.00000
     43     -12.0794      1.00000
     44     -12.0280      1.00000
     45     -11.6781      1.00000
     46     -11.6650      1.00000
     47     -11.1466      1.00000
     48     -11.1267      1.00000
     49     -10.8019      1.00000
     50     -10.7393      1.00000
     51     -10.5278      1.00000
     52     -10.2179      1.00000
     53     -10.2133      1.00000
     54     -10.1704      1.00000
     55     -10.0264      1.00000
     56     -10.0108      1.00000
     57      -9.9981      1.00000
     58      -9.8103      1.00000
     59      -9.8066      1.00000
     60      -9.7709      1.00000
     61      -9.7662      1.00000
     62      -9.4623      1.00000
     63      -9.4216      1.00000
     64      -9.0848      1.00000
     65      -9.0814      1.00000
     66      -9.0496      1.00000
     67      -8.9631      1.00000
     68      -8.8822      1.00000
     69      -8.7209      1.00000
     70      -8.7090      1.00000
     71      -8.5736      1.00000
     72      -8.5512      1.00000
     73      -8.5048      1.00000
     74      -8.4719      1.00000
     75      -8.4616      1.00000
     76      -8.2641      1.00000
     77      -8.1310      1.00000
     78      -8.0483      1.00000
     79      -7.9247      1.00000
     80      -7.8666      1.00000
     81      -7.6218      1.00000
     82      -7.5546      1.00000
     83      -7.4994      1.00000
     84      -7.2629      1.00000
     85      -7.0040      1.00000
     86      -6.9327      1.00000
     87      -6.8918      1.00000
     88      -6.5406      1.00000
     89      -6.4956      1.00000
     90      -6.4660      1.00000
     91      -6.4159      1.00000
     92      -5.9873      1.00000
     93      -5.9024      1.00000
     94      -5.7905      1.00000
     95      -5.7651      1.00000
     96      -5.4346      1.00000
     97      -5.3339      1.00000
     98      -5.2366      1.00000
     99      -5.2236      1.00000
    100      -5.1940      1.00000
    101      -4.6940      1.00000
    102      -4.4187      1.00000
    103      -4.2073      1.00000
    104      -3.8299      1.00000
    105      -3.5244      1.00000
    106      -3.2803      1.00000
    107      -2.5386      0.00000
    108      -1.4610      0.00000
    109      -1.2742      0.00000
    110      -1.2101      0.00000
    111      -1.1797      0.00000
    112      -0.7254      0.00000
    113      -0.5113      0.00000
    114      -0.4194      0.00000
    115      -0.3464      0.00000
    116      -0.1531      0.00000
    117      -0.0104      0.00000
    118       0.1863      0.00000
    119       0.5529      0.00000
    120       0.6048      0.00000
    121       0.7881      0.00000
    122       0.8951      0.00000
    123       1.1216      0.00000
    124       1.4794      0.00000
    125       1.6246      0.00000
    126       1.8335      0.00000
    127       1.9158      0.00000
    128       2.0938      0.00000
    129       2.1038      0.00000
    130       2.1586      0.00000
    131       2.1879      0.00000
    132       2.2717      0.00000
    133       2.3367      0.00000
    134       2.4688      0.00000
    135       2.5741      0.00000
    136       2.6466      0.00000
    137       2.8436      0.00000
    138       2.8625      0.00000
    139       2.8831      0.00000
    140       3.0111      0.00000
    141       3.0183      0.00000
    142       3.1304      0.00000
    143       3.1861      0.00000
    144       3.2273      0.00000
    145       3.2665      0.00000
    146       3.2750      0.00000
    147       3.2921      0.00000
    148       3.3376      0.00000
    149       3.4122      0.00000
    150       3.4329      0.00000
    151       3.5367      0.00000
    152       3.6154      0.00000
    153       3.7137      0.00000
    154       3.7329      0.00000
    155       3.7592      0.00000
    156       3.8867      0.00000
    157       3.9306      0.00000
    158       3.9938      0.00000
    159       4.1146      0.00000
    160       4.2092      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3239      1.00000
      2     -21.9708      1.00000
      3     -21.9001      1.00000
      4     -21.3916      1.00000
      5     -21.3558      1.00000
      6     -20.8462      1.00000
      7     -20.7810      1.00000
      8     -20.6322      1.00000
      9     -20.0966      1.00000
     10     -20.0685      1.00000
     11     -19.7258      1.00000
     12     -19.6973      1.00000
     13     -19.0168      1.00000
     14     -18.9864      1.00000
     15     -18.6572      1.00000
     16     -18.6252      1.00000
     17     -18.4680      1.00000
     18     -17.6675      1.00000
     19     -17.6538      1.00000
     20     -17.6183      1.00000
     21     -17.5860      1.00000
     22     -17.1444      1.00000
     23     -17.1055      1.00000
     24     -16.9742      1.00000
     25     -16.0162      1.00000
     26     -15.9308      1.00000
     27     -15.6062      1.00000
     28     -15.5832      1.00000
     29     -15.2876      1.00000
     30     -14.8841      1.00000
     31     -14.8381      1.00000
     32     -14.5821      1.00000
     33     -14.5448      1.00000
     34     -14.1722      1.00000
     35     -14.1678      1.00000
     36     -13.1700      1.00000
     37     -13.1035      1.00000
     38     -13.0311      1.00000
     39     -13.0264      1.00000
     40     -12.7255      1.00000
     41     -12.7027      1.00000
     42     -12.3485      1.00000
     43     -12.3218      1.00000
     44     -11.6399      1.00000
     45     -11.6308      1.00000
     46     -11.5784      1.00000
     47     -10.9490      1.00000
     48     -10.9310      1.00000
     49     -10.6721      1.00000
     50     -10.5985      1.00000
     51     -10.5788      1.00000
     52     -10.5099      1.00000
     53     -10.4957      1.00000
     54     -10.4473      1.00000
     55     -10.3638      1.00000
     56     -10.1076      1.00000
     57      -9.9034      1.00000
     58      -9.6158      1.00000
     59      -9.5595      1.00000
     60      -9.4589      1.00000
     61      -9.4275      1.00000
     62      -9.4167      1.00000
     63      -9.3881      1.00000
     64      -9.3798      1.00000
     65      -9.2726      1.00000
     66      -9.1736      1.00000
     67      -9.1499      1.00000
     68      -9.1244      1.00000
     69      -8.8747      1.00000
     70      -8.8689      1.00000
     71      -8.8073      1.00000
     72      -8.6015      1.00000
     73      -8.5300      1.00000
     74      -8.2020      1.00000
     75      -8.1792      1.00000
     76      -8.0832      1.00000
     77      -7.8657      1.00000
     78      -7.8445      1.00000
     79      -7.8267      1.00000
     80      -7.7186      1.00000
     81      -7.7049      1.00000
     82      -7.6061      1.00000
     83      -7.5273      1.00000
     84      -7.3570      1.00000
     85      -7.1675      1.00000
     86      -6.9143      1.00000
     87      -6.9044      1.00000
     88      -6.5986      1.00000
     89      -6.5559      1.00000
     90      -6.4144      1.00000
     91      -6.3076      1.00000
     92      -6.2535      1.00000
     93      -6.2102      1.00000
     94      -6.0085      1.00000
     95      -5.5358      1.00000
     96      -5.4706      1.00000
     97      -5.3181      1.00000
     98      -5.2156      1.00000
     99      -5.0498      1.00000
    100      -4.7269      1.00000
    101      -4.6756      1.00000
    102      -4.4208      1.00000
    103      -4.1937      1.00000
    104      -3.8394      1.00000
    105      -3.6354      1.00000
    106      -3.4174      1.00000
    107      -2.2987      0.00000
    108      -1.5131      0.00000
    109      -1.2771      0.00000
    110      -1.2702      0.00000
    111      -1.0404      0.00000
    112      -0.9853      0.00000
    113      -0.8753      0.00000
    114      -0.8072      0.00000
    115      -0.2670      0.00000
    116       0.1966      0.00000
    117       0.2320      0.00000
    118       0.3520      0.00000
    119       0.6800      0.00000
    120       0.8859      0.00000
    121       0.9160      0.00000
    122       1.0319      0.00000
    123       1.1555      0.00000
    124       1.4985      0.00000
    125       1.5482      0.00000
    126       1.6961      0.00000
    127       1.7715      0.00000
    128       1.8248      0.00000
    129       1.9586      0.00000
    130       1.9748      0.00000
    131       2.1780      0.00000
    132       2.2475      0.00000
    133       2.4012      0.00000
    134       2.4732      0.00000
    135       2.5326      0.00000
    136       2.5917      0.00000
    137       2.6107      0.00000
    138       2.6895      0.00000
    139       2.7509      0.00000
    140       2.8477      0.00000
    141       3.0247      0.00000
    142       3.0721      0.00000
    143       3.1868      0.00000
    144       3.2426      0.00000
    145       3.2609      0.00000
    146       3.2910      0.00000
    147       3.3489      0.00000
    148       3.4401      0.00000
    149       3.5092      0.00000
    150       3.6834      0.00000
    151       3.7083      0.00000
    152       3.7353      0.00000
    153       3.8188      0.00000
    154       3.8862      0.00000
    155       3.9222      0.00000
    156       3.9707      0.00000
    157       3.9998      0.00000
    158       4.0377      0.00000
    159       4.0461      0.00000
    160       4.0851      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3962      1.00000
      2     -21.8372      1.00000
      3     -21.6485      1.00000
      4     -21.6141      1.00000
      5     -21.2855      1.00000
      6     -21.2396      1.00000
      7     -21.0640      1.00000
      8     -20.1781      1.00000
      9     -20.1330      1.00000
     10     -19.6241      1.00000
     11     -19.5986      1.00000
     12     -19.4228      1.00000
     13     -19.1015      1.00000
     14     -19.0633      1.00000
     15     -19.0598      1.00000
     16     -19.0462      1.00000
     17     -18.3743      1.00000
     18     -18.3550      1.00000
     19     -18.0238      1.00000
     20     -17.0785      1.00000
     21     -17.0312      1.00000
     22     -16.9575      1.00000
     23     -16.9440      1.00000
     24     -16.4828      1.00000
     25     -16.4712      1.00000
     26     -15.6175      1.00000
     27     -15.6168      1.00000
     28     -15.2573      1.00000
     29     -15.2454      1.00000
     30     -15.1981      1.00000
     31     -15.1095      1.00000
     32     -15.0758      1.00000
     33     -14.7064      1.00000
     34     -14.7055      1.00000
     35     -13.7330      1.00000
     36     -13.7330      1.00000
     37     -13.2425      1.00000
     38     -12.6318      1.00000
     39     -12.5877      1.00000
     40     -12.4623      1.00000
     41     -12.4570      1.00000
     42     -12.1132      1.00000
     43     -12.1083      1.00000
     44     -11.7299      1.00000
     45     -11.6922      1.00000
     46     -11.2537      1.00000
     47     -11.2328      1.00000
     48     -11.0250      1.00000
     49     -11.0136      1.00000
     50     -10.9359      1.00000
     51     -10.9078      1.00000
     52     -10.6377      1.00000
     53     -10.1797      1.00000
     54     -10.1574      1.00000
     55     -10.0926      1.00000
     56      -9.9943      1.00000
     57      -9.7038      1.00000
     58      -9.6968      1.00000
     59      -9.6765      1.00000
     60      -9.6004      1.00000
     61      -9.5771      1.00000
     62      -9.5585      1.00000
     63      -9.3196      1.00000
     64      -9.3080      1.00000
     65      -9.2875      1.00000
     66      -9.2527      1.00000
     67      -9.1280      1.00000
     68      -9.1202      1.00000
     69      -9.1187      1.00000
     70      -8.9448      1.00000
     71      -8.8851      1.00000
     72      -8.6131      1.00000
     73      -8.5959      1.00000
     74      -8.2758      1.00000
     75      -8.1086      1.00000
     76      -7.8773      1.00000
     77      -7.8491      1.00000
     78      -7.7952      1.00000
     79      -7.7721      1.00000
     80      -7.7635      1.00000
     81      -7.4412      1.00000
     82      -7.3432      1.00000
     83      -7.3306      1.00000
     84      -7.2712      1.00000
     85      -7.1713      1.00000
     86      -7.0248      1.00000
     87      -6.9901      1.00000
     88      -6.7230      1.00000
     89      -6.6975      1.00000
     90      -6.6370      1.00000
     91      -6.5943      1.00000
     92      -6.1253      1.00000
     93      -6.0663      1.00000
     94      -6.0503      1.00000
     95      -6.0364      1.00000
     96      -5.7531      1.00000
     97      -4.9733      1.00000
     98      -4.8434      1.00000
     99      -4.7143      1.00000
    100      -4.6794      1.00000
    101      -4.4819      1.00000
    102      -4.3496      1.00000
    103      -4.1165      1.00000
    104      -4.0590      1.00000
    105      -3.7537      1.00000
    106      -3.4624      1.00000
    107      -1.9547      0.00000
    108      -1.7782      0.00000
    109      -1.4869      0.00000
    110      -1.3621      0.00000
    111      -1.3442      0.00000
    112      -1.2992      0.00000
    113      -0.6855      0.00000
    114      -0.4768      0.00000
    115      -0.2423      0.00000
    116       0.0441      0.00000
    117       0.5763      0.00000
    118       0.6858      0.00000
    119       0.7612      0.00000
    120       1.0115      0.00000
    121       1.0900      0.00000
    122       1.1668      0.00000
    123       1.2432      0.00000
    124       1.3283      0.00000
    125       1.4233      0.00000
    126       1.5794      0.00000
    127       1.7617      0.00000
    128       1.8340      0.00000
    129       1.8535      0.00000
    130       1.8784      0.00000
    131       2.0378      0.00000
    132       2.2065      0.00000
    133       2.2187      0.00000
    134       2.2724      0.00000
    135       2.4707      0.00000
    136       2.6042      0.00000
    137       2.6450      0.00000
    138       2.7360      0.00000
    139       2.7905      0.00000
    140       2.8279      0.00000
    141       2.8378      0.00000
    142       2.8794      0.00000
    143       2.9491      0.00000
    144       3.0679      0.00000
    145       3.3012      0.00000
    146       3.3552      0.00000
    147       3.4055      0.00000
    148       3.4182      0.00000
    149       3.4192      0.00000
    150       3.5961      0.00000
    151       3.6500      0.00000
    152       3.6690      0.00000
    153       3.7221      0.00000
    154       3.8871      0.00000
    155       3.9145      0.00000
    156       3.9489      0.00000
    157       4.0988      0.00000
    158       4.1938      0.00000
    159       4.2485      0.00000
    160       4.2759      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2150      1.00000
      2     -22.1268      1.00000
      3     -21.9641      1.00000
      4     -21.4118      1.00000
      5     -21.0530      1.00000
      6     -21.0251      1.00000
      7     -20.5028      1.00000
      8     -20.4735      1.00000
      9     -20.2937      1.00000
     10     -20.2915      1.00000
     11     -19.9635      1.00000
     12     -19.9018      1.00000
     13     -18.8902      1.00000
     14     -18.8242      1.00000
     15     -18.3446      1.00000
     16     -18.3255      1.00000
     17     -18.1568      1.00000
     18     -18.1492      1.00000
     19     -17.8230      1.00000
     20     -17.8049      1.00000
     21     -17.2657      1.00000
     22     -17.2464      1.00000
     23     -17.1674      1.00000
     24     -17.1438      1.00000
     25     -16.1236      1.00000
     26     -15.8882      1.00000
     27     -15.8773      1.00000
     28     -15.8486      1.00000
     29     -15.2384      1.00000
     30     -14.5589      1.00000
     31     -14.5408      1.00000
     32     -14.2833      1.00000
     33     -13.9821      1.00000
     34     -13.9589      1.00000
     35     -13.8319      1.00000
     36     -13.8107      1.00000
     37     -13.6119      1.00000
     38     -13.5867      1.00000
     39     -13.3779      1.00000
     40     -12.6462      1.00000
     41     -12.1769      1.00000
     42     -12.1508      1.00000
     43     -12.0758      1.00000
     44     -12.0300      1.00000
     45     -11.6720      1.00000
     46     -11.6675      1.00000
     47     -11.1450      1.00000
     48     -11.1344      1.00000
     49     -10.7986      1.00000
     50     -10.7438      1.00000
     51     -10.5348      1.00000
     52     -10.2155      1.00000
     53     -10.2096      1.00000
     54     -10.1760      1.00000
     55     -10.0295      1.00000
     56      -9.9999      1.00000
     57      -9.9982      1.00000
     58      -9.8135      1.00000
     59      -9.8037      1.00000
     60      -9.7731      1.00000
     61      -9.7654      1.00000
     62      -9.4638      1.00000
     63      -9.4215      1.00000
     64      -9.0917      1.00000
     65      -9.0541      1.00000
     66      -9.0310      1.00000
     67      -8.9778      1.00000
     68      -8.9021      1.00000
     69      -8.7159      1.00000
     70      -8.7069      1.00000
     71      -8.5694      1.00000
     72      -8.5587      1.00000
     73      -8.4848      1.00000
     74      -8.4683      1.00000
     75      -8.4638      1.00000
     76      -8.3100      1.00000
     77      -8.0989      1.00000
     78      -8.0962      1.00000
     79      -7.9349      1.00000
     80      -7.8380      1.00000
     81      -7.6063      1.00000
     82      -7.5460      1.00000
     83      -7.4558      1.00000
     84      -7.3034      1.00000
     85      -7.0006      1.00000
     86      -6.9281      1.00000
     87      -6.8905      1.00000
     88      -6.5372      1.00000
     89      -6.5217      1.00000
     90      -6.4892      1.00000
     91      -6.4269      1.00000
     92      -5.9306      1.00000
     93      -5.9094      1.00000
     94      -5.7948      1.00000
     95      -5.7801      1.00000
     96      -5.3730      1.00000
     97      -5.3662      1.00000
     98      -5.2259      1.00000
     99      -5.2218      1.00000
    100      -5.2046      1.00000
    101      -4.7229      1.00000
    102      -4.4377      1.00000
    103      -4.1901      1.00000
    104      -3.8159      1.00000
    105      -3.5619      1.00000
    106      -3.2283      1.00000
    107      -2.5684      0.00000
    108      -1.4661      0.00000
    109      -1.2749      0.00000
    110      -1.1925      0.00000
    111      -1.1907      0.00000
    112      -0.6508      0.00000
    113      -0.5599      0.00000
    114      -0.4220      0.00000
    115      -0.3547      0.00000
    116      -0.0850      0.00000
    117      -0.0712      0.00000
    118       0.1195      0.00000
    119       0.5855      0.00000
    120       0.6191      0.00000
    121       0.8443      0.00000
    122       0.9750      0.00000
    123       0.9935      0.00000
    124       1.4830      0.00000
    125       1.6724      0.00000
    126       1.7491      0.00000
    127       1.8437      0.00000
    128       2.0976      0.00000
    129       2.1539      0.00000
    130       2.1877      0.00000
    131       2.2029      0.00000
    132       2.2505      0.00000
    133       2.3500      0.00000
    134       2.4846      0.00000
    135       2.5126      0.00000
    136       2.6517      0.00000
    137       2.8456      0.00000
    138       2.8525      0.00000
    139       2.9434      0.00000
    140       2.9987      0.00000
    141       3.0299      0.00000
    142       3.1263      0.00000
    143       3.2001      0.00000
    144       3.2346      0.00000
    145       3.2440      0.00000
    146       3.2721      0.00000
    147       3.2960      0.00000
    148       3.3455      0.00000
    149       3.4061      0.00000
    150       3.5387      0.00000
    151       3.5548      0.00000
    152       3.6335      0.00000
    153       3.6531      0.00000
    154       3.7103      0.00000
    155       3.7291      0.00000
    156       3.8881      0.00000
    157       3.9514      0.00000
    158       4.0235      0.00000
    159       4.0606      0.00000
    160       4.1691      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2895      1.00000
      2     -22.0857      1.00000
      3     -21.7271      1.00000
      4     -21.6887      1.00000
      5     -20.9894      1.00000
      6     -20.9428      1.00000
      7     -20.6179      1.00000
      8     -20.5865      1.00000
      9     -20.5733      1.00000
     10     -20.0395      1.00000
     11     -19.5202      1.00000
     12     -19.4911      1.00000
     13     -19.3192      1.00000
     14     -19.3064      1.00000
     15     -18.4563      1.00000
     16     -18.4141      1.00000
     17     -17.9350      1.00000
     18     -17.9152      1.00000
     19     -17.7725      1.00000
     20     -17.7286      1.00000
     21     -17.4492      1.00000
     22     -17.4312      1.00000
     23     -17.3453      1.00000
     24     -16.4790      1.00000
     25     -16.4690      1.00000
     26     -15.9775      1.00000
     27     -15.4189      1.00000
     28     -15.4180      1.00000
     29     -15.1040      1.00000
     30     -15.1009      1.00000
     31     -14.8605      1.00000
     32     -14.8485      1.00000
     33     -14.3052      1.00000
     34     -14.2615      1.00000
     35     -13.4517      1.00000
     36     -13.4079      1.00000
     37     -13.1831      1.00000
     38     -13.1817      1.00000
     39     -12.9930      1.00000
     40     -12.9842      1.00000
     41     -12.6188      1.00000
     42     -12.6167      1.00000
     43     -12.2040      1.00000
     44     -11.5876      1.00000
     45     -11.5475      1.00000
     46     -11.3219      1.00000
     47     -11.2921      1.00000
     48     -11.1491      1.00000
     49     -10.6988      1.00000
     50     -10.6713      1.00000
     51     -10.5493      1.00000
     52     -10.3294      1.00000
     53     -10.3222      1.00000
     54     -10.1806      1.00000
     55     -10.1297      1.00000
     56     -10.1169      1.00000
     57      -9.8166      1.00000
     58      -9.7596      1.00000
     59      -9.7586      1.00000
     60      -9.7104      1.00000
     61      -9.7067      1.00000
     62      -9.6519      1.00000
     63      -9.3604      1.00000
     64      -9.3592      1.00000
     65      -9.3277      1.00000
     66      -9.0323      1.00000
     67      -8.9691      1.00000
     68      -8.9650      1.00000
     69      -8.7808      1.00000
     70      -8.6015      1.00000
     71      -8.5905      1.00000
     72      -8.4278      1.00000
     73      -8.3551      1.00000
     74      -8.3298      1.00000
     75      -8.3107      1.00000
     76      -8.2745      1.00000
     77      -8.2635      1.00000
     78      -8.2489      1.00000
     79      -7.9295      1.00000
     80      -7.7397      1.00000
     81      -7.3873      1.00000
     82      -7.3575      1.00000
     83      -7.3148      1.00000
     84      -7.2245      1.00000
     85      -7.1650      1.00000
     86      -7.0732      1.00000
     87      -6.9663      1.00000
     88      -6.9125      1.00000
     89      -6.6234      1.00000
     90      -6.5645      1.00000
     91      -6.2811      1.00000
     92      -6.0001      1.00000
     93      -5.9646      1.00000
     94      -5.6799      1.00000
     95      -5.6536      1.00000
     96      -5.3904      1.00000
     97      -5.3200      1.00000
     98      -5.2987      1.00000
     99      -5.2181      1.00000
    100      -5.2065      1.00000
    101      -4.5061      1.00000
    102      -4.3349      1.00000
    103      -4.0006      1.00000
    104      -3.8898      1.00000
    105      -3.7915      1.00000
    106      -3.4414      1.00000
    107      -2.0388      0.00000
    108      -1.8705      0.00000
    109      -1.2225      0.00000
    110      -1.1915      0.00000
    111      -1.0427      0.00000
    112      -0.7789      0.00000
    113      -0.6863      0.00000
    114      -0.6666      0.00000
    115      -0.6165      0.00000
    116      -0.1091      0.00000
    117       0.2157      0.00000
    118       0.2318      0.00000
    119       0.7586      0.00000
    120       0.9735      0.00000
    121       1.0683      0.00000
    122       1.2321      0.00000
    123       1.2435      0.00000
    124       1.3297      0.00000
    125       1.5675      0.00000
    126       1.5773      0.00000
    127       1.6885      0.00000
    128       1.7849      0.00000
    129       1.9313      0.00000
    130       1.9459      0.00000
    131       2.0896      0.00000
    132       2.2964      0.00000
    133       2.3374      0.00000
    134       2.4074      0.00000
    135       2.5237      0.00000
    136       2.6201      0.00000
    137       2.7749      0.00000
    138       2.8335      0.00000
    139       2.8343      0.00000
    140       2.8614      0.00000
    141       3.0400      0.00000
    142       3.0893      0.00000
    143       3.1376      0.00000
    144       3.2100      0.00000
    145       3.3636      0.00000
    146       3.4053      0.00000
    147       3.4942      0.00000
    148       3.5377      0.00000
    149       3.5813      0.00000
    150       3.6035      0.00000
    151       3.6351      0.00000
    152       3.7239      0.00000
    153       3.7329      0.00000
    154       3.7739      0.00000
    155       3.8233      0.00000
    156       3.8705      0.00000
    157       4.0125      0.00000
    158       4.0785      0.00000
    159       4.1587      0.00000
    160       4.1946      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4330      1.00000
      2     -21.6077      1.00000
      3     -21.4885      1.00000
      4     -21.4796      1.00000
      5     -21.4487      1.00000
      6     -21.4482      1.00000
      7     -21.4379      1.00000
      8     -19.7133      1.00000
      9     -19.6593      1.00000
     10     -19.6371      1.00000
     11     -19.6259      1.00000
     12     -19.6210      1.00000
     13     -19.6198      1.00000
     14     -18.7966      1.00000
     15     -18.7616      1.00000
     16     -18.7425      1.00000
     17     -18.7335      1.00000
     18     -18.7255      1.00000
     19     -18.7208      1.00000
     20     -16.6415      1.00000
     21     -16.6155      1.00000
     22     -16.5931      1.00000
     23     -16.5894      1.00000
     24     -16.5621      1.00000
     25     -16.5610      1.00000
     26     -15.6220      1.00000
     27     -15.6097      1.00000
     28     -15.6060      1.00000
     29     -15.5727      1.00000
     30     -15.5709      1.00000
     31     -15.5690      1.00000
     32     -14.2669      1.00000
     33     -14.2580      1.00000
     34     -14.2487      1.00000
     35     -14.2437      1.00000
     36     -14.2301      1.00000
     37     -14.2275      1.00000
     38     -11.9133      1.00000
     39     -11.8870      1.00000
     40     -11.8757      1.00000
     41     -11.8726      1.00000
     42     -11.8529      1.00000
     43     -11.8529      1.00000
     44     -11.7785      1.00000
     45     -11.7767      1.00000
     46     -11.7434      1.00000
     47     -11.7372      1.00000
     48     -11.7340      1.00000
     49     -11.7302      1.00000
     50     -10.6773      1.00000
     51     -10.3958      1.00000
     52     -10.3917      1.00000
     53     -10.3845      1.00000
     54     -10.3766      1.00000
     55     -10.3643      1.00000
     56     -10.3615      1.00000
     57      -9.9054      1.00000
     58      -9.4537      1.00000
     59      -9.4106      1.00000
     60      -9.3684      1.00000
     61      -9.3676      1.00000
     62      -9.3599      1.00000
     63      -9.1494      1.00000
     64      -9.1311      1.00000
     65      -9.1286      1.00000
     66      -9.0937      1.00000
     67      -9.0797      1.00000
     68      -9.0790      1.00000
     69      -9.0783      1.00000
     70      -9.0737      1.00000
     71      -9.0726      1.00000
     72      -9.0470      1.00000
     73      -9.0372      1.00000
     74      -9.0349      1.00000
     75      -8.1398      1.00000
     76      -7.7343      1.00000
     77      -7.4782      1.00000
     78      -7.4748      1.00000
     79      -7.4624      1.00000
     80      -7.4428      1.00000
     81      -7.4333      1.00000
     82      -7.4155      1.00000
     83      -7.3173      1.00000
     84      -7.2756      1.00000
     85      -7.2629      1.00000
     86      -7.2546      1.00000
     87      -7.1608      1.00000
     88      -7.0489      1.00000
     89      -6.4518      1.00000
     90      -6.4206      1.00000
     91      -6.4061      1.00000
     92      -6.3691      1.00000
     93      -6.3588      1.00000
     94      -6.3451      1.00000
     95      -5.9684      1.00000
     96      -5.9661      1.00000
     97      -4.8000      1.00000
     98      -4.5458      1.00000
     99      -4.4859      1.00000
    100      -4.4766      1.00000
    101      -4.3886      1.00000
    102      -4.3885      1.00000
    103      -4.2696      1.00000
    104      -4.1878      1.00000
    105      -3.7380      1.00000
    106      -3.4739      1.00000
    107      -1.8654      0.00000
    108      -1.6800      0.00000
    109      -1.6301      0.00000
    110      -1.5982      0.00000
    111      -1.5831      0.00000
    112      -1.5823      0.00000
    113      -0.4322      0.00000
    114       0.1364      0.00000
    115       0.1856      0.00000
    116       0.2485      0.00000
    117       0.2604      0.00000
    118       0.2639      0.00000
    119       0.4684      0.00000
    120       0.5376      0.00000
    121       1.2373      0.00000
    122       1.2837      0.00000
    123       1.5124      0.00000
    124       1.7631      0.00000
    125       1.7657      0.00000
    126       1.7659      0.00000
    127       1.8051      0.00000
    128       1.8223      0.00000
    129       1.9508      0.00000
    130       1.9601      0.00000
    131       1.9668      0.00000
    132       1.9813      0.00000
    133       1.9889      0.00000
    134       2.0655      0.00000
    135       2.2342      0.00000
    136       2.3350      0.00000
    137       2.5930      0.00000
    138       2.5958      0.00000
    139       2.6192      0.00000
    140       2.7002      0.00000
    141       2.9308      0.00000
    142       3.0488      0.00000
    143       3.0707      0.00000
    144       3.0995      0.00000
    145       3.1058      0.00000
    146       3.1073      0.00000
    147       3.1124      0.00000
    148       3.2621      0.00000
    149       3.4420      0.00000
    150       3.4975      0.00000
    151       3.8186      0.00000
    152       3.9525      0.00000
    153       3.9545      0.00000
    154       3.9550      0.00000
    155       3.9600      0.00000
    156       3.9928      0.00000
    157       4.1816      0.00000
    158       4.2557      0.00000
    159       4.2670      0.00000
    160       4.2772      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3962      1.00000
      2     -21.8370      1.00000
      3     -21.6453      1.00000
      4     -21.6179      1.00000
      5     -21.2814      1.00000
      6     -21.2429      1.00000
      7     -21.0646      1.00000
      8     -20.1745      1.00000
      9     -20.1372      1.00000
     10     -19.6156      1.00000
     11     -19.6047      1.00000
     12     -19.4249      1.00000
     13     -19.0965      1.00000
     14     -19.0674      1.00000
     15     -19.0568      1.00000
     16     -19.0491      1.00000
     17     -18.3682      1.00000
     18     -18.3597      1.00000
     19     -18.0269      1.00000
     20     -17.0762      1.00000
     21     -17.0383      1.00000
     22     -16.9524      1.00000
     23     -16.9474      1.00000
     24     -16.4755      1.00000
     25     -16.4706      1.00000
     26     -15.6212      1.00000
     27     -15.6150      1.00000
     28     -15.2602      1.00000
     29     -15.2514      1.00000
     30     -15.1926      1.00000
     31     -15.1059      1.00000
     32     -15.0793      1.00000
     33     -14.7062      1.00000
     34     -14.7040      1.00000
     35     -13.7344      1.00000
     36     -13.7314      1.00000
     37     -13.2440      1.00000
     38     -12.6222      1.00000
     39     -12.5923      1.00000
     40     -12.4625      1.00000
     41     -12.4585      1.00000
     42     -12.1176      1.00000
     43     -12.1125      1.00000
     44     -11.7245      1.00000
     45     -11.6940      1.00000
     46     -11.2429      1.00000
     47     -11.2342      1.00000
     48     -11.0260      1.00000
     49     -11.0182      1.00000
     50     -10.9342      1.00000
     51     -10.9131      1.00000
     52     -10.6317      1.00000
     53     -10.1636      1.00000
     54     -10.1587      1.00000
     55     -10.1003      1.00000
     56     -10.0018      1.00000
     57      -9.7101      1.00000
     58      -9.7034      1.00000
     59      -9.6620      1.00000
     60      -9.5983      1.00000
     61      -9.5841      1.00000
     62      -9.5657      1.00000
     63      -9.3161      1.00000
     64      -9.3117      1.00000
     65      -9.2793      1.00000
     66      -9.2437      1.00000
     67      -9.1417      1.00000
     68      -9.1250      1.00000
     69      -9.1190      1.00000
     70      -8.9455      1.00000
     71      -8.8799      1.00000
     72      -8.6125      1.00000
     73      -8.5992      1.00000
     74      -8.2431      1.00000
     75      -8.1096      1.00000
     76      -7.9139      1.00000
     77      -7.8716      1.00000
     78      -7.7808      1.00000
     79      -7.7658      1.00000
     80      -7.6999      1.00000
     81      -7.5565      1.00000
     82      -7.3481      1.00000
     83      -7.3315      1.00000
     84      -7.2105      1.00000
     85      -7.1263      1.00000
     86      -7.0374      1.00000
     87      -7.0204      1.00000
     88      -6.7099      1.00000
     89      -6.6837      1.00000
     90      -6.6467      1.00000
     91      -6.6020      1.00000
     92      -6.1254      1.00000
     93      -6.0685      1.00000
     94      -6.0385      1.00000
     95      -6.0166      1.00000
     96      -5.7886      1.00000
     97      -4.9730      1.00000
     98      -4.8362      1.00000
     99      -4.7522      1.00000
    100      -4.6851      1.00000
    101      -4.4656      1.00000
    102      -4.2025      1.00000
    103      -4.1754      1.00000
    104      -4.1326      1.00000
    105      -3.7288      1.00000
    106      -3.4838      1.00000
    107      -1.8756      0.00000
    108      -1.8172      0.00000
    109      -1.5292      0.00000
    110      -1.3847      0.00000
    111      -1.3287      0.00000
    112      -1.2952      0.00000
    113      -0.7257      0.00000
    114      -0.3821      0.00000
    115      -0.2575      0.00000
    116       0.0298      0.00000
    117       0.5451      0.00000
    118       0.6901      0.00000
    119       0.7386      0.00000
    120       1.0395      0.00000
    121       1.0922      0.00000
    122       1.1413      0.00000
    123       1.2190      0.00000
    124       1.3699      0.00000
    125       1.5095      0.00000
    126       1.5663      0.00000
    127       1.7072      0.00000
    128       1.8132      0.00000
    129       1.8512      0.00000
    130       1.8736      0.00000
    131       2.0861      0.00000
    132       2.1736      0.00000
    133       2.2307      0.00000
    134       2.2932      0.00000
    135       2.5018      0.00000
    136       2.5751      0.00000
    137       2.6450      0.00000
    138       2.7685      0.00000
    139       2.7893      0.00000
    140       2.8203      0.00000
    141       2.8661      0.00000
    142       2.8889      0.00000
    143       2.9442      0.00000
    144       3.0645      0.00000
    145       3.1437      0.00000
    146       3.3059      0.00000
    147       3.3880      0.00000
    148       3.4334      0.00000
    149       3.4603      0.00000
    150       3.6127      0.00000
    151       3.6420      0.00000
    152       3.6655      0.00000
    153       3.7089      0.00000
    154       3.9020      0.00000
    155       3.9507      0.00000
    156       4.0050      0.00000
    157       4.0580      0.00000
    158       4.2303      0.00000
    159       4.2445      0.00000
    160       4.2657      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2899      1.00000
      2     -22.0852      1.00000
      3     -21.7236      1.00000
      4     -21.6924      1.00000
      5     -20.9861      1.00000
      6     -20.9465      1.00000
      7     -20.6187      1.00000
      8     -20.5828      1.00000
      9     -20.5768      1.00000
     10     -20.0402      1.00000
     11     -19.5104      1.00000
     12     -19.4988      1.00000
     13     -19.3143      1.00000
     14     -19.3091      1.00000
     15     -18.4548      1.00000
     16     -18.4189      1.00000
     17     -17.9299      1.00000
     18     -17.9203      1.00000
     19     -17.7688      1.00000
     20     -17.7339      1.00000
     21     -17.4438      1.00000
     22     -17.4360      1.00000
     23     -17.3490      1.00000
     24     -16.4703      1.00000
     25     -16.4691      1.00000
     26     -15.9748      1.00000
     27     -15.4213      1.00000
     28     -15.4166      1.00000
     29     -15.1038      1.00000
     30     -15.1010      1.00000
     31     -14.8631      1.00000
     32     -14.8553      1.00000
     33     -14.2982      1.00000
     34     -14.2658      1.00000
     35     -13.4446      1.00000
     36     -13.4125      1.00000
     37     -13.1855      1.00000
     38     -13.1816      1.00000
     39     -12.9896      1.00000
     40     -12.9848      1.00000
     41     -12.6214      1.00000
     42     -12.6174      1.00000
     43     -12.2062      1.00000
     44     -11.5837      1.00000
     45     -11.5504      1.00000
     46     -11.3181      1.00000
     47     -11.2956      1.00000
     48     -11.1505      1.00000
     49     -10.6823      1.00000
     50     -10.6689      1.00000
     51     -10.5540      1.00000
     52     -10.3323      1.00000
     53     -10.3255      1.00000
     54     -10.1760      1.00000
     55     -10.1233      1.00000
     56     -10.1198      1.00000
     57      -9.8032      1.00000
     58      -9.7737      1.00000
     59      -9.7588      1.00000
     60      -9.7082      1.00000
     61      -9.7068      1.00000
     62      -9.6669      1.00000
     63      -9.3640      1.00000
     64      -9.3590      1.00000
     65      -9.3232      1.00000
     66      -9.0454      1.00000
     67      -8.9715      1.00000
     68      -8.9569      1.00000
     69      -8.8040      1.00000
     70      -8.6015      1.00000
     71      -8.5641      1.00000
     72      -8.4025      1.00000
     73      -8.3706      1.00000
     74      -8.3325      1.00000
     75      -8.3147      1.00000
     76      -8.2676      1.00000
     77      -8.2660      1.00000
     78      -8.2446      1.00000
     79      -7.9130      1.00000
     80      -7.6550      1.00000
     81      -7.5453      1.00000
     82      -7.3951      1.00000
     83      -7.3581      1.00000
     84      -7.2403      1.00000
     85      -7.1032      1.00000
     86      -7.0429      1.00000
     87      -6.9401      1.00000
     88      -6.8504      1.00000
     89      -6.6207      1.00000
     90      -6.5683      1.00000
     91      -6.2782      1.00000
     92      -6.0476      1.00000
     93      -5.9571      1.00000
     94      -5.6679      1.00000
     95      -5.6278      1.00000
     96      -5.4654      1.00000
     97      -5.3250      1.00000
     98      -5.2845      1.00000
     99      -5.2202      1.00000
    100      -5.1995      1.00000
    101      -4.5020      1.00000
    102      -4.2057      1.00000
    103      -4.0599      1.00000
    104      -3.9944      1.00000
    105      -3.6950      1.00000
    106      -3.4939      1.00000
    107      -1.9522      0.00000
    108      -1.9048      0.00000
    109      -1.3419      0.00000
    110      -1.0920      0.00000
    111      -1.0655      0.00000
    112      -0.8068      0.00000
    113      -0.6854      0.00000
    114      -0.6539      0.00000
    115      -0.6144      0.00000
    116      -0.1149      0.00000
    117       0.2079      0.00000
    118       0.3214      0.00000
    119       0.6848      0.00000
    120       0.8764      0.00000
    121       1.1170      0.00000
    122       1.1913      0.00000
    123       1.3174      0.00000
    124       1.4090      0.00000
    125       1.5453      0.00000
    126       1.5680      0.00000
    127       1.6675      0.00000
    128       1.8021      0.00000
    129       1.8655      0.00000
    130       2.0430      0.00000
    131       2.1260      0.00000
    132       2.3258      0.00000
    133       2.3544      0.00000
    134       2.3852      0.00000
    135       2.5290      0.00000
    136       2.6226      0.00000
    137       2.7193      0.00000
    138       2.7646      0.00000
    139       2.8316      0.00000
    140       2.8760      0.00000
    141       3.0392      0.00000
    142       3.0489      0.00000
    143       3.1509      0.00000
    144       3.2539      0.00000
    145       3.3479      0.00000
    146       3.4048      0.00000
    147       3.4222      0.00000
    148       3.5590      0.00000
    149       3.5752      0.00000
    150       3.5905      0.00000
    151       3.6492      0.00000
    152       3.6631      0.00000
    153       3.7713      0.00000
    154       3.7955      0.00000
    155       3.8116      0.00000
    156       3.8857      0.00000
    157       3.9112      0.00000
    158       3.9849      0.00000
    159       4.2026      0.00000
    160       4.2183      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3241      1.00000
      2     -21.9692      1.00000
      3     -21.9016      1.00000
      4     -21.3879      1.00000
      5     -21.3591      1.00000
      6     -20.8464      1.00000
      7     -20.7826      1.00000
      8     -20.6316      1.00000
      9     -20.0847      1.00000
     10     -20.0791      1.00000
     11     -19.7244      1.00000
     12     -19.7000      1.00000
     13     -19.0036      1.00000
     14     -18.9980      1.00000
     15     -18.6478      1.00000
     16     -18.6321      1.00000
     17     -18.4700      1.00000
     18     -17.6824      1.00000
     19     -17.6329      1.00000
     20     -17.6301      1.00000
     21     -17.5891      1.00000
     22     -17.1340      1.00000
     23     -17.1126      1.00000
     24     -16.9693      1.00000
     25     -16.0091      1.00000
     26     -15.9367      1.00000
     27     -15.5935      1.00000
     28     -15.5933      1.00000
     29     -15.2946      1.00000
     30     -14.8718      1.00000
     31     -14.8447      1.00000
     32     -14.5869      1.00000
     33     -14.5460      1.00000
     34     -14.1756      1.00000
     35     -14.1626      1.00000
     36     -13.1561      1.00000
     37     -13.1084      1.00000
     38     -13.0386      1.00000
     39     -13.0283      1.00000
     40     -12.7174      1.00000
     41     -12.7135      1.00000
     42     -12.3486      1.00000
     43     -12.3181      1.00000
     44     -11.6433      1.00000
     45     -11.6298      1.00000
     46     -11.5796      1.00000
     47     -10.9566      1.00000
     48     -10.9244      1.00000
     49     -10.6372      1.00000
     50     -10.6331      1.00000
     51     -10.5519      1.00000
     52     -10.5071      1.00000
     53     -10.5065      1.00000
     54     -10.4484      1.00000
     55     -10.3697      1.00000
     56     -10.1035      1.00000
     57      -9.9091      1.00000
     58      -9.6176      1.00000
     59      -9.5662      1.00000
     60      -9.4590      1.00000
     61      -9.4198      1.00000
     62      -9.4120      1.00000
     63      -9.3866      1.00000
     64      -9.3858      1.00000
     65      -9.2916      1.00000
     66      -9.1763      1.00000
     67      -9.1509      1.00000
     68      -9.1223      1.00000
     69      -8.8720      1.00000
     70      -8.8650      1.00000
     71      -8.8205      1.00000
     72      -8.6027      1.00000
     73      -8.4854      1.00000
     74      -8.2067      1.00000
     75      -8.1717      1.00000
     76      -8.0171      1.00000
     77      -7.9613      1.00000
     78      -7.8600      1.00000
     79      -7.8497      1.00000
     80      -7.7145      1.00000
     81      -7.7053      1.00000
     82      -7.6297      1.00000
     83      -7.4496      1.00000
     84      -7.3099      1.00000
     85      -7.2500      1.00000
     86      -6.9144      1.00000
     87      -6.9013      1.00000
     88      -6.5943      1.00000
     89      -6.5556      1.00000
     90      -6.4163      1.00000
     91      -6.2588      1.00000
     92      -6.2374      1.00000
     93      -6.2133      1.00000
     94      -6.0281      1.00000
     95      -5.5544      1.00000
     96      -5.4937      1.00000
     97      -5.3540      1.00000
     98      -5.2263      1.00000
     99      -4.9845      1.00000
    100      -4.7332      1.00000
    101      -4.6824      1.00000
    102      -4.3863      1.00000
    103      -4.2011      1.00000
    104      -3.8681      1.00000
    105      -3.5512      1.00000
    106      -3.5051      1.00000
    107      -2.2643      0.00000
    108      -1.4595      0.00000
    109      -1.3789      0.00000
    110      -1.2493      0.00000
    111      -1.1036      0.00000
    112      -0.9520      0.00000
    113      -0.8709      0.00000
    114      -0.8107      0.00000
    115      -0.1459      0.00000
    116       0.1024      0.00000
    117       0.2337      0.00000
    118       0.3702      0.00000
    119       0.6423      0.00000
    120       0.8271      0.00000
    121       0.9290      0.00000
    122       1.0535      0.00000
    123       1.2237      0.00000
    124       1.4345      0.00000
    125       1.5395      0.00000
    126       1.7587      0.00000
    127       1.7836      0.00000
    128       1.8650      0.00000
    129       1.9553      0.00000
    130       2.0370      0.00000
    131       2.1623      0.00000
    132       2.1867      0.00000
    133       2.4002      0.00000
    134       2.4678      0.00000
    135       2.5306      0.00000
    136       2.5966      0.00000
    137       2.6328      0.00000
    138       2.6862      0.00000
    139       2.7708      0.00000
    140       2.8213      0.00000
    141       2.9383      0.00000
    142       3.0735      0.00000
    143       3.1875      0.00000
    144       3.2140      0.00000
    145       3.2571      0.00000
    146       3.3188      0.00000
    147       3.3247      0.00000
    148       3.4573      0.00000
    149       3.4861      0.00000
    150       3.6886      0.00000
    151       3.7000      0.00000
    152       3.7156      0.00000
    153       3.8483      0.00000
    154       3.9046      0.00000
    155       3.9364      0.00000
    156       3.9702      0.00000
    157       4.0141      0.00000
    158       4.0245      0.00000
    159       4.0389      0.00000
    160       4.0673      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2160      1.00000
      2     -22.1255      1.00000
      3     -21.9644      1.00000
      4     -21.4116      1.00000
      5     -21.0567      1.00000
      6     -21.0215      1.00000
      7     -20.5075      1.00000
      8     -20.4688      1.00000
      9     -20.3026      1.00000
     10     -20.2835      1.00000
     11     -19.9644      1.00000
     12     -19.8998      1.00000
     13     -18.8892      1.00000
     14     -18.8218      1.00000
     15     -18.3598      1.00000
     16     -18.3147      1.00000
     17     -18.1608      1.00000
     18     -18.1438      1.00000
     19     -17.8340      1.00000
     20     -17.7974      1.00000
     21     -17.2597      1.00000
     22     -17.2491      1.00000
     23     -17.1730      1.00000
     24     -17.1406      1.00000
     25     -16.1178      1.00000
     26     -15.8929      1.00000
     27     -15.8780      1.00000
     28     -15.8418      1.00000
     29     -15.2446      1.00000
     30     -14.5626      1.00000
     31     -14.5351      1.00000
     32     -14.2884      1.00000
     33     -13.9721      1.00000
     34     -13.9645      1.00000
     35     -13.8288      1.00000
     36     -13.8127      1.00000
     37     -13.6222      1.00000
     38     -13.5793      1.00000
     39     -13.3779      1.00000
     40     -12.6425      1.00000
     41     -12.1885      1.00000
     42     -12.1416      1.00000
     43     -12.0794      1.00000
     44     -12.0280      1.00000
     45     -11.6781      1.00000
     46     -11.6650      1.00000
     47     -11.1466      1.00000
     48     -11.1267      1.00000
     49     -10.8019      1.00000
     50     -10.7393      1.00000
     51     -10.5278      1.00000
     52     -10.2179      1.00000
     53     -10.2133      1.00000
     54     -10.1704      1.00000
     55     -10.0264      1.00000
     56     -10.0108      1.00000
     57      -9.9981      1.00000
     58      -9.8103      1.00000
     59      -9.8066      1.00000
     60      -9.7709      1.00000
     61      -9.7662      1.00000
     62      -9.4623      1.00000
     63      -9.4216      1.00000
     64      -9.0848      1.00000
     65      -9.0814      1.00000
     66      -9.0496      1.00000
     67      -8.9631      1.00000
     68      -8.8822      1.00000
     69      -8.7209      1.00000
     70      -8.7090      1.00000
     71      -8.5736      1.00000
     72      -8.5512      1.00000
     73      -8.5048      1.00000
     74      -8.4719      1.00000
     75      -8.4616      1.00000
     76      -8.2641      1.00000
     77      -8.1310      1.00000
     78      -8.0483      1.00000
     79      -7.9247      1.00000
     80      -7.8666      1.00000
     81      -7.6218      1.00000
     82      -7.5546      1.00000
     83      -7.4994      1.00000
     84      -7.2629      1.00000
     85      -7.0040      1.00000
     86      -6.9327      1.00000
     87      -6.8918      1.00000
     88      -6.5406      1.00000
     89      -6.4956      1.00000
     90      -6.4660      1.00000
     91      -6.4159      1.00000
     92      -5.9873      1.00000
     93      -5.9024      1.00000
     94      -5.7905      1.00000
     95      -5.7651      1.00000
     96      -5.4346      1.00000
     97      -5.3339      1.00000
     98      -5.2366      1.00000
     99      -5.2236      1.00000
    100      -5.1940      1.00000
    101      -4.6940      1.00000
    102      -4.4187      1.00000
    103      -4.2073      1.00000
    104      -3.8299      1.00000
    105      -3.5244      1.00000
    106      -3.2803      1.00000
    107      -2.5386      0.00000
    108      -1.4610      0.00000
    109      -1.2742      0.00000
    110      -1.2101      0.00000
    111      -1.1797      0.00000
    112      -0.7254      0.00000
    113      -0.5113      0.00000
    114      -0.4194      0.00000
    115      -0.3464      0.00000
    116      -0.1531      0.00000
    117      -0.0104      0.00000
    118       0.1863      0.00000
    119       0.5529      0.00000
    120       0.6048      0.00000
    121       0.7881      0.00000
    122       0.8951      0.00000
    123       1.1216      0.00000
    124       1.4794      0.00000
    125       1.6246      0.00000
    126       1.8335      0.00000
    127       1.9158      0.00000
    128       2.0938      0.00000
    129       2.1038      0.00000
    130       2.1586      0.00000
    131       2.1879      0.00000
    132       2.2717      0.00000
    133       2.3367      0.00000
    134       2.4688      0.00000
    135       2.5741      0.00000
    136       2.6466      0.00000
    137       2.8436      0.00000
    138       2.8625      0.00000
    139       2.8831      0.00000
    140       3.0111      0.00000
    141       3.0183      0.00000
    142       3.1304      0.00000
    143       3.1861      0.00000
    144       3.2273      0.00000
    145       3.2665      0.00000
    146       3.2750      0.00000
    147       3.2921      0.00000
    148       3.3376      0.00000
    149       3.4122      0.00000
    150       3.4329      0.00000
    151       3.5367      0.00000
    152       3.6154      0.00000
    153       3.7137      0.00000
    154       3.7329      0.00000
    155       3.7592      0.00000
    156       3.8867      0.00000
    157       3.9306      0.00000
    158       3.9938      0.00000
    159       4.1146      0.00000
    160       4.2092      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3239      1.00000
      2     -21.9708      1.00000
      3     -21.9001      1.00000
      4     -21.3916      1.00000
      5     -21.3558      1.00000
      6     -20.8462      1.00000
      7     -20.7810      1.00000
      8     -20.6322      1.00000
      9     -20.0966      1.00000
     10     -20.0685      1.00000
     11     -19.7258      1.00000
     12     -19.6973      1.00000
     13     -19.0168      1.00000
     14     -18.9864      1.00000
     15     -18.6572      1.00000
     16     -18.6252      1.00000
     17     -18.4680      1.00000
     18     -17.6675      1.00000
     19     -17.6538      1.00000
     20     -17.6183      1.00000
     21     -17.5860      1.00000
     22     -17.1444      1.00000
     23     -17.1055      1.00000
     24     -16.9742      1.00000
     25     -16.0162      1.00000
     26     -15.9308      1.00000
     27     -15.6062      1.00000
     28     -15.5832      1.00000
     29     -15.2876      1.00000
     30     -14.8841      1.00000
     31     -14.8381      1.00000
     32     -14.5821      1.00000
     33     -14.5448      1.00000
     34     -14.1722      1.00000
     35     -14.1678      1.00000
     36     -13.1700      1.00000
     37     -13.1035      1.00000
     38     -13.0311      1.00000
     39     -13.0264      1.00000
     40     -12.7255      1.00000
     41     -12.7027      1.00000
     42     -12.3485      1.00000
     43     -12.3218      1.00000
     44     -11.6399      1.00000
     45     -11.6308      1.00000
     46     -11.5784      1.00000
     47     -10.9490      1.00000
     48     -10.9310      1.00000
     49     -10.6721      1.00000
     50     -10.5985      1.00000
     51     -10.5788      1.00000
     52     -10.5099      1.00000
     53     -10.4957      1.00000
     54     -10.4473      1.00000
     55     -10.3638      1.00000
     56     -10.1076      1.00000
     57      -9.9034      1.00000
     58      -9.6158      1.00000
     59      -9.5595      1.00000
     60      -9.4589      1.00000
     61      -9.4275      1.00000
     62      -9.4167      1.00000
     63      -9.3881      1.00000
     64      -9.3798      1.00000
     65      -9.2726      1.00000
     66      -9.1736      1.00000
     67      -9.1499      1.00000
     68      -9.1244      1.00000
     69      -8.8747      1.00000
     70      -8.8689      1.00000
     71      -8.8073      1.00000
     72      -8.6015      1.00000
     73      -8.5300      1.00000
     74      -8.2020      1.00000
     75      -8.1792      1.00000
     76      -8.0832      1.00000
     77      -7.8657      1.00000
     78      -7.8445      1.00000
     79      -7.8267      1.00000
     80      -7.7186      1.00000
     81      -7.7049      1.00000
     82      -7.6061      1.00000
     83      -7.5273      1.00000
     84      -7.3570      1.00000
     85      -7.1675      1.00000
     86      -6.9143      1.00000
     87      -6.9044      1.00000
     88      -6.5986      1.00000
     89      -6.5559      1.00000
     90      -6.4144      1.00000
     91      -6.3076      1.00000
     92      -6.2535      1.00000
     93      -6.2102      1.00000
     94      -6.0085      1.00000
     95      -5.5358      1.00000
     96      -5.4706      1.00000
     97      -5.3181      1.00000
     98      -5.2156      1.00000
     99      -5.0498      1.00000
    100      -4.7269      1.00000
    101      -4.6756      1.00000
    102      -4.4208      1.00000
    103      -4.1937      1.00000
    104      -3.8394      1.00000
    105      -3.6354      1.00000
    106      -3.4174      1.00000
    107      -2.2987      0.00000
    108      -1.5131      0.00000
    109      -1.2771      0.00000
    110      -1.2702      0.00000
    111      -1.0404      0.00000
    112      -0.9853      0.00000
    113      -0.8753      0.00000
    114      -0.8072      0.00000
    115      -0.2670      0.00000
    116       0.1966      0.00000
    117       0.2320      0.00000
    118       0.3520      0.00000
    119       0.6800      0.00000
    120       0.8859      0.00000
    121       0.9160      0.00000
    122       1.0319      0.00000
    123       1.1555      0.00000
    124       1.4984      0.00000
    125       1.5481      0.00000
    126       1.6961      0.00000
    127       1.7715      0.00000
    128       1.8248      0.00000
    129       1.9586      0.00000
    130       1.9748      0.00000
    131       2.1780      0.00000
    132       2.2475      0.00000
    133       2.4012      0.00000
    134       2.4731      0.00000
    135       2.5326      0.00000
    136       2.5917      0.00000
    137       2.6107      0.00000
    138       2.6895      0.00000
    139       2.7509      0.00000
    140       2.8477      0.00000
    141       3.0247      0.00000
    142       3.0721      0.00000
    143       3.1868      0.00000
    144       3.2426      0.00000
    145       3.2609      0.00000
    146       3.2910      0.00000
    147       3.3489      0.00000
    148       3.4401      0.00000
    149       3.5092      0.00000
    150       3.6834      0.00000
    151       3.7083      0.00000
    152       3.7353      0.00000
    153       3.8188      0.00000
    154       3.8862      0.00000
    155       3.9222      0.00000
    156       3.9707      0.00000
    157       3.9998      0.00000
    158       4.0377      0.00000
    159       4.0461      0.00000
    160       4.0851      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3962      1.00000
      2     -21.8372      1.00000
      3     -21.6485      1.00000
      4     -21.6141      1.00000
      5     -21.2855      1.00000
      6     -21.2396      1.00000
      7     -21.0640      1.00000
      8     -20.1781      1.00000
      9     -20.1330      1.00000
     10     -19.6241      1.00000
     11     -19.5986      1.00000
     12     -19.4228      1.00000
     13     -19.1015      1.00000
     14     -19.0633      1.00000
     15     -19.0598      1.00000
     16     -19.0462      1.00000
     17     -18.3743      1.00000
     18     -18.3550      1.00000
     19     -18.0238      1.00000
     20     -17.0785      1.00000
     21     -17.0312      1.00000
     22     -16.9575      1.00000
     23     -16.9440      1.00000
     24     -16.4828      1.00000
     25     -16.4712      1.00000
     26     -15.6175      1.00000
     27     -15.6168      1.00000
     28     -15.2573      1.00000
     29     -15.2454      1.00000
     30     -15.1981      1.00000
     31     -15.1095      1.00000
     32     -15.0758      1.00000
     33     -14.7064      1.00000
     34     -14.7055      1.00000
     35     -13.7330      1.00000
     36     -13.7330      1.00000
     37     -13.2425      1.00000
     38     -12.6318      1.00000
     39     -12.5877      1.00000
     40     -12.4623      1.00000
     41     -12.4570      1.00000
     42     -12.1132      1.00000
     43     -12.1083      1.00000
     44     -11.7299      1.00000
     45     -11.6922      1.00000
     46     -11.2537      1.00000
     47     -11.2328      1.00000
     48     -11.0250      1.00000
     49     -11.0136      1.00000
     50     -10.9359      1.00000
     51     -10.9078      1.00000
     52     -10.6377      1.00000
     53     -10.1797      1.00000
     54     -10.1574      1.00000
     55     -10.0926      1.00000
     56      -9.9943      1.00000
     57      -9.7038      1.00000
     58      -9.6968      1.00000
     59      -9.6765      1.00000
     60      -9.6004      1.00000
     61      -9.5771      1.00000
     62      -9.5585      1.00000
     63      -9.3196      1.00000
     64      -9.3080      1.00000
     65      -9.2875      1.00000
     66      -9.2527      1.00000
     67      -9.1280      1.00000
     68      -9.1202      1.00000
     69      -9.1187      1.00000
     70      -8.9448      1.00000
     71      -8.8851      1.00000
     72      -8.6131      1.00000
     73      -8.5959      1.00000
     74      -8.2758      1.00000
     75      -8.1086      1.00000
     76      -7.8773      1.00000
     77      -7.8491      1.00000
     78      -7.7952      1.00000
     79      -7.7721      1.00000
     80      -7.7635      1.00000
     81      -7.4412      1.00000
     82      -7.3432      1.00000
     83      -7.3306      1.00000
     84      -7.2712      1.00000
     85      -7.1713      1.00000
     86      -7.0248      1.00000
     87      -6.9901      1.00000
     88      -6.7230      1.00000
     89      -6.6975      1.00000
     90      -6.6370      1.00000
     91      -6.5943      1.00000
     92      -6.1253      1.00000
     93      -6.0663      1.00000
     94      -6.0503      1.00000
     95      -6.0364      1.00000
     96      -5.7531      1.00000
     97      -4.9733      1.00000
     98      -4.8434      1.00000
     99      -4.7143      1.00000
    100      -4.6794      1.00000
    101      -4.4819      1.00000
    102      -4.3496      1.00000
    103      -4.1165      1.00000
    104      -4.0590      1.00000
    105      -3.7537      1.00000
    106      -3.4624      1.00000
    107      -1.9547      0.00000
    108      -1.7782      0.00000
    109      -1.4869      0.00000
    110      -1.3621      0.00000
    111      -1.3442      0.00000
    112      -1.2992      0.00000
    113      -0.6855      0.00000
    114      -0.4768      0.00000
    115      -0.2423      0.00000
    116       0.0441      0.00000
    117       0.5763      0.00000
    118       0.6858      0.00000
    119       0.7612      0.00000
    120       1.0115      0.00000
    121       1.0900      0.00000
    122       1.1668      0.00000
    123       1.2432      0.00000
    124       1.3283      0.00000
    125       1.4233      0.00000
    126       1.5794      0.00000
    127       1.7617      0.00000
    128       1.8340      0.00000
    129       1.8535      0.00000
    130       1.8784      0.00000
    131       2.0378      0.00000
    132       2.2065      0.00000
    133       2.2187      0.00000
    134       2.2724      0.00000
    135       2.4707      0.00000
    136       2.6042      0.00000
    137       2.6450      0.00000
    138       2.7360      0.00000
    139       2.7905      0.00000
    140       2.8279      0.00000
    141       2.8378      0.00000
    142       2.8794      0.00000
    143       2.9491      0.00000
    144       3.0679      0.00000
    145       3.3012      0.00000
    146       3.3552      0.00000
    147       3.4055      0.00000
    148       3.4182      0.00000
    149       3.4191      0.00000
    150       3.5961      0.00000
    151       3.6500      0.00000
    152       3.6690      0.00000
    153       3.7222      0.00000
    154       3.8871      0.00000
    155       3.9145      0.00000
    156       3.9489      0.00000
    157       4.0987      0.00000
    158       4.1938      0.00000
    159       4.2485      0.00000
    160       4.2759      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2150      1.00000
      2     -22.1268      1.00000
      3     -21.9641      1.00000
      4     -21.4118      1.00000
      5     -21.0530      1.00000
      6     -21.0251      1.00000
      7     -20.5028      1.00000
      8     -20.4735      1.00000
      9     -20.2937      1.00000
     10     -20.2915      1.00000
     11     -19.9635      1.00000
     12     -19.9018      1.00000
     13     -18.8902      1.00000
     14     -18.8242      1.00000
     15     -18.3446      1.00000
     16     -18.3255      1.00000
     17     -18.1568      1.00000
     18     -18.1492      1.00000
     19     -17.8230      1.00000
     20     -17.8049      1.00000
     21     -17.2657      1.00000
     22     -17.2464      1.00000
     23     -17.1674      1.00000
     24     -17.1438      1.00000
     25     -16.1236      1.00000
     26     -15.8882      1.00000
     27     -15.8773      1.00000
     28     -15.8486      1.00000
     29     -15.2384      1.00000
     30     -14.5589      1.00000
     31     -14.5408      1.00000
     32     -14.2833      1.00000
     33     -13.9821      1.00000
     34     -13.9589      1.00000
     35     -13.8319      1.00000
     36     -13.8107      1.00000
     37     -13.6119      1.00000
     38     -13.5867      1.00000
     39     -13.3779      1.00000
     40     -12.6462      1.00000
     41     -12.1769      1.00000
     42     -12.1508      1.00000
     43     -12.0758      1.00000
     44     -12.0300      1.00000
     45     -11.6720      1.00000
     46     -11.6675      1.00000
     47     -11.1450      1.00000
     48     -11.1344      1.00000
     49     -10.7986      1.00000
     50     -10.7438      1.00000
     51     -10.5348      1.00000
     52     -10.2155      1.00000
     53     -10.2096      1.00000
     54     -10.1760      1.00000
     55     -10.0295      1.00000
     56      -9.9999      1.00000
     57      -9.9982      1.00000
     58      -9.8135      1.00000
     59      -9.8037      1.00000
     60      -9.7731      1.00000
     61      -9.7654      1.00000
     62      -9.4638      1.00000
     63      -9.4215      1.00000
     64      -9.0917      1.00000
     65      -9.0541      1.00000
     66      -9.0310      1.00000
     67      -8.9778      1.00000
     68      -8.9021      1.00000
     69      -8.7159      1.00000
     70      -8.7069      1.00000
     71      -8.5694      1.00000
     72      -8.5587      1.00000
     73      -8.4848      1.00000
     74      -8.4683      1.00000
     75      -8.4638      1.00000
     76      -8.3100      1.00000
     77      -8.0989      1.00000
     78      -8.0962      1.00000
     79      -7.9349      1.00000
     80      -7.8380      1.00000
     81      -7.6063      1.00000
     82      -7.5460      1.00000
     83      -7.4558      1.00000
     84      -7.3034      1.00000
     85      -7.0006      1.00000
     86      -6.9281      1.00000
     87      -6.8905      1.00000
     88      -6.5372      1.00000
     89      -6.5217      1.00000
     90      -6.4892      1.00000
     91      -6.4269      1.00000
     92      -5.9306      1.00000
     93      -5.9094      1.00000
     94      -5.7948      1.00000
     95      -5.7801      1.00000
     96      -5.3730      1.00000
     97      -5.3662      1.00000
     98      -5.2259      1.00000
     99      -5.2218      1.00000
    100      -5.2046      1.00000
    101      -4.7229      1.00000
    102      -4.4377      1.00000
    103      -4.1901      1.00000
    104      -3.8158      1.00000
    105      -3.5619      1.00000
    106      -3.2283      1.00000
    107      -2.5684      0.00000
    108      -1.4661      0.00000
    109      -1.2749      0.00000
    110      -1.1925      0.00000
    111      -1.1907      0.00000
    112      -0.6508      0.00000
    113      -0.5599      0.00000
    114      -0.4220      0.00000
    115      -0.3547      0.00000
    116      -0.0850      0.00000
    117      -0.0712      0.00000
    118       0.1195      0.00000
    119       0.5855      0.00000
    120       0.6191      0.00000
    121       0.8443      0.00000
    122       0.9750      0.00000
    123       0.9935      0.00000
    124       1.4830      0.00000
    125       1.6724      0.00000
    126       1.7491      0.00000
    127       1.8437      0.00000
    128       2.0976      0.00000
    129       2.1539      0.00000
    130       2.1877      0.00000
    131       2.2029      0.00000
    132       2.2505      0.00000
    133       2.3500      0.00000
    134       2.4846      0.00000
    135       2.5126      0.00000
    136       2.6517      0.00000
    137       2.8456      0.00000
    138       2.8525      0.00000
    139       2.9434      0.00000
    140       2.9987      0.00000
    141       3.0299      0.00000
    142       3.1263      0.00000
    143       3.2002      0.00000
    144       3.2346      0.00000
    145       3.2440      0.00000
    146       3.2721      0.00000
    147       3.2960      0.00000
    148       3.3455      0.00000
    149       3.4061      0.00000
    150       3.5387      0.00000
    151       3.5548      0.00000
    152       3.6335      0.00000
    153       3.6531      0.00000
    154       3.7103      0.00000
    155       3.7291      0.00000
    156       3.8881      0.00000
    157       3.9514      0.00000
    158       4.0235      0.00000
    159       4.0606      0.00000
    160       4.1691      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2895      1.00000
      2     -22.0857      1.00000
      3     -21.7271      1.00000
      4     -21.6887      1.00000
      5     -20.9894      1.00000
      6     -20.9428      1.00000
      7     -20.6179      1.00000
      8     -20.5865      1.00000
      9     -20.5733      1.00000
     10     -20.0395      1.00000
     11     -19.5202      1.00000
     12     -19.4911      1.00000
     13     -19.3192      1.00000
     14     -19.3064      1.00000
     15     -18.4563      1.00000
     16     -18.4141      1.00000
     17     -17.9350      1.00000
     18     -17.9152      1.00000
     19     -17.7725      1.00000
     20     -17.7286      1.00000
     21     -17.4492      1.00000
     22     -17.4312      1.00000
     23     -17.3453      1.00000
     24     -16.4790      1.00000
     25     -16.4690      1.00000
     26     -15.9775      1.00000
     27     -15.4189      1.00000
     28     -15.4180      1.00000
     29     -15.1040      1.00000
     30     -15.1009      1.00000
     31     -14.8605      1.00000
     32     -14.8485      1.00000
     33     -14.3052      1.00000
     34     -14.2615      1.00000
     35     -13.4517      1.00000
     36     -13.4079      1.00000
     37     -13.1831      1.00000
     38     -13.1817      1.00000
     39     -12.9930      1.00000
     40     -12.9842      1.00000
     41     -12.6188      1.00000
     42     -12.6167      1.00000
     43     -12.2040      1.00000
     44     -11.5876      1.00000
     45     -11.5475      1.00000
     46     -11.3219      1.00000
     47     -11.2921      1.00000
     48     -11.1491      1.00000
     49     -10.6988      1.00000
     50     -10.6713      1.00000
     51     -10.5493      1.00000
     52     -10.3294      1.00000
     53     -10.3222      1.00000
     54     -10.1806      1.00000
     55     -10.1297      1.00000
     56     -10.1169      1.00000
     57      -9.8166      1.00000
     58      -9.7596      1.00000
     59      -9.7586      1.00000
     60      -9.7104      1.00000
     61      -9.7067      1.00000
     62      -9.6519      1.00000
     63      -9.3604      1.00000
     64      -9.3592      1.00000
     65      -9.3277      1.00000
     66      -9.0323      1.00000
     67      -8.9691      1.00000
     68      -8.9650      1.00000
     69      -8.7808      1.00000
     70      -8.6015      1.00000
     71      -8.5905      1.00000
     72      -8.4278      1.00000
     73      -8.3551      1.00000
     74      -8.3298      1.00000
     75      -8.3107      1.00000
     76      -8.2745      1.00000
     77      -8.2635      1.00000
     78      -8.2489      1.00000
     79      -7.9295      1.00000
     80      -7.7397      1.00000
     81      -7.3873      1.00000
     82      -7.3575      1.00000
     83      -7.3148      1.00000
     84      -7.2245      1.00000
     85      -7.1650      1.00000
     86      -7.0732      1.00000
     87      -6.9663      1.00000
     88      -6.9125      1.00000
     89      -6.6234      1.00000
     90      -6.5645      1.00000
     91      -6.2811      1.00000
     92      -6.0001      1.00000
     93      -5.9646      1.00000
     94      -5.6799      1.00000
     95      -5.6536      1.00000
     96      -5.3904      1.00000
     97      -5.3200      1.00000
     98      -5.2987      1.00000
     99      -5.2181      1.00000
    100      -5.2065      1.00000
    101      -4.5060      1.00000
    102      -4.3349      1.00000
    103      -4.0006      1.00000
    104      -3.8898      1.00000
    105      -3.7915      1.00000
    106      -3.4414      1.00000
    107      -2.0388      0.00000
    108      -1.8705      0.00000
    109      -1.2225      0.00000
    110      -1.1915      0.00000
    111      -1.0427      0.00000
    112      -0.7789      0.00000
    113      -0.6863      0.00000
    114      -0.6666      0.00000
    115      -0.6165      0.00000
    116      -0.1090      0.00000
    117       0.2157      0.00000
    118       0.2318      0.00000
    119       0.7586      0.00000
    120       0.9735      0.00000
    121       1.0683      0.00000
    122       1.2321      0.00000
    123       1.2435      0.00000
    124       1.3297      0.00000
    125       1.5675      0.00000
    126       1.5773      0.00000
    127       1.6885      0.00000
    128       1.7849      0.00000
    129       1.9313      0.00000
    130       1.9459      0.00000
    131       2.0896      0.00000
    132       2.2964      0.00000
    133       2.3374      0.00000
    134       2.4074      0.00000
    135       2.5237      0.00000
    136       2.6201      0.00000
    137       2.7749      0.00000
    138       2.8334      0.00000
    139       2.8343      0.00000
    140       2.8614      0.00000
    141       3.0400      0.00000
    142       3.0893      0.00000
    143       3.1376      0.00000
    144       3.2100      0.00000
    145       3.3636      0.00000
    146       3.4053      0.00000
    147       3.4942      0.00000
    148       3.5377      0.00000
    149       3.5813      0.00000
    150       3.6035      0.00000
    151       3.6351      0.00000
    152       3.7239      0.00000
    153       3.7329      0.00000
    154       3.7739      0.00000
    155       3.8233      0.00000
    156       3.8705      0.00000
    157       4.0125      0.00000
    158       4.0785      0.00000
    159       4.1587      0.00000
    160       4.1946      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0418   -7.3913    4.1990   -1.2760   -0.2386   17.5981    0.1437   -0.5291    0.6314   -0.4642
x    -3.0928   -0.0372   -0.0631    0.0619   -0.0099   -2.9775   -0.0107   -0.0069    0.0048    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0418    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0005   -0.0940   -0.0088    0.0377    0.0382
y    -0.0452   -3.2455   -0.5412   -0.1636   -1.1867   -0.6058
z   204.0418    1.1005   -0.3115    0.0495    0.0199    0.0867   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1128    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8120
z    -0.2193    0.2315   -0.0551    0.0615   -0.0901    0.0008
 total charge-density along one line
x   212.0000  -10.2232    6.1484   -2.0866   -0.4745   19.5183   -1.0011    0.4786   -0.0482   -0.1253
x    -2.6454   -0.0275   -0.0610    0.0848   -0.0539   -2.2243   -0.0249   -0.0023    0.0051    0.0021
x    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2232    6.1484   -2.0866   -0.4745   19.5183   -1.0011    0.4786   -0.0482   -0.1253
y    -2.6454   -0.0275   -0.0610    0.0848   -0.0539   -2.2243   -0.0249   -0.0023    0.0051    0.0021
y    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3223  188.8925 -170.1470  154.0613 -140.5122  126.8145 -111.4365   95.0833  -79.2777
z    64.8981  -52.0998   40.9976  -31.9275   25.0529  -19.9843   15.9539  -12.3568    9.0814   -6.3558
z     4.3556   -2.9899    2.0061   -1.2156    0.5869   -0.1568   -0.0920    0.2472   -0.3861    0.5122
z    -0.5771    0.5538   -0.4735    0.3959   -0.3540    0.3357   -0.3105    0.2655   -0.2128    0.1707
z    -0.1441    0.1249   -0.1047    0.0831   -0.0654    0.0546   -0.0485    0.0428   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.838   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.003   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.100   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.833   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.838   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.003   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.100   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.153   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.833   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.269   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.051   0.000   1.796   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.031   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.627   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.077   0.000  -0.131   0.000  -0.033  -0.278   0.081   0.000  -0.093   0.000   0.000
  0.000   0.269   0.000  -0.310   0.000   0.000   0.155   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.586  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.627   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.026  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.278   0.000   0.586   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.081   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.005   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.030   8.932
  2        0.520   0.027   0.000   0.548
  3        0.520   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.866  89.426   8.030 142.323
 


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


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


    CHARGE:  VPU time   90.20: CPU time   45.52
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  362.90: CPU time  181.79
    STRESS:  VPU time 1091.42: CPU time  548.39
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force = 0.6474658E-04[ 0.189E-04, 0.111E-03]  d Energy = 0.1601824E-03-0.954E-04
 d Force =-0.5218567E+00[-0.521E+00,-0.522E+00]  d Ewald  =-0.2201191E+02 0.215E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726746 eV

  energy  without entropy=     -471.726746  energy(sigma->0) =     -471.726746
 

  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    40813.58  40771.73 -47511.04    -36.24      0.00      0.00
  Hartree  40239.87  40223.69 -39497.84    -14.01      0.00      0.00
  E(xc)     -779.38   -779.67   -807.30     -0.25      0.00      0.00
  Local   -83337.66 -83288.61  84324.10     42.47      0.00      0.00
  n-local   -216.87   -215.72   -203.61      0.72      0.00      0.00
  augment     20.06     22.04     17.82      1.72      0.00      0.00
  Kinetic   3162.46   3175.96   3584.36      3.34      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.27     -0.37      0.43     -0.09      0.00      0.00
  in kB       -0.16     -0.22      0.26     -0.05      0.00      0.00
  external pressure =       -0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345761947  0.001284707  0.000000000     0.080994591  0.046751080  0.000000000
    -6.171775026 10.692381818  0.000000000    -0.000009732  0.093518914  0.000000000
     0.000000000  0.000000000 19.983268558     0.000000000  0.000000000  0.050041864

  length of vectors
    12.345762014 12.345761860 19.983268558     0.093518914  0.093518915  0.050041864


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.372E-05 -.493E-04 -.951E+03   0.420E-05 -.275E-04 0.959E+03   0.254E-20 -.238E-23 -.866E+01   0.113E-06 -.674E-07 0.294E-01
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   0.151E-02 -.872E-03 0.265E-02
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   -.151E-02 0.872E-03 0.265E-02
   -.202E+01 0.117E+01 0.137E+02   0.202E+01 -.117E+01 -.137E+02   -.569E-02 0.329E-02 -.314E-01   0.980E-03 -.569E-03 0.719E-02
   0.622E+01 0.680E+01 0.165E+02   -.622E+01 -.682E+01 -.165E+02   -.176E-02 0.234E-01 -.357E-01   0.519E-03 0.353E-02 0.474E-02
   0.111E+02 0.508E+01 0.165E+02   -.111E+02 -.508E+01 -.165E+02   0.208E-01 0.650E-02 -.503E-01   0.667E-02 -.779E-03 -.339E-02
   0.468E+01 -.886E+00 0.154E+02   -.470E+01 0.895E+00 -.153E+02   0.144E-01 -.821E-02 -.110E-01   0.181E-02 -.259E-03 -.728E-02
   -.305E+01 -.254E+01 0.138E+02   0.305E+01 0.254E+01 -.138E+02   0.970E-03 0.325E-02 -.455E-02   0.598E-03 0.120E-02 -.307E-02
   0.674E+00 0.391E+01 0.138E+02   -.675E+00 -.391E+01 -.138E+02   -.233E-02 -.246E-02 -.455E-02   -.747E-03 -.112E-02 -.308E-02
   0.245E+01 0.188E+02 0.225E+02   -.245E+01 -.189E+02 -.224E+02   0.714E-03 0.101E+00 -.471E-01   0.227E-02 -.979E-03 -.198E-03
   0.225E+02 0.213E+02 0.405E+02   -.226E+02 -.216E+02 -.404E+02   0.811E-01 0.256E+00 -.663E-01   0.919E-02 0.337E-03 0.284E-02
   0.266E+02 -.343E+01 0.259E+02   -.268E+02 0.353E+01 -.258E+02   0.264E+00 -.107E+00 -.424E-01   0.569E-02 0.657E-03 0.114E-02
   0.906E+01 -.523E+01 0.156E+02   -.911E+01 0.526E+01 -.156E+02   0.429E-01 -.248E-01 -.150E-01   0.498E-02 -.288E-02 -.269E-02
   0.311E+01 -.361E+01 0.154E+02   -.312E+01 0.362E+01 -.153E+02   0.143E-01 -.840E-02 -.110E-01   0.113E-02 -.144E-02 -.729E-02
   -.587E+01 0.135E+02 0.178E+02   0.587E+01 -.136E+02 -.177E+02   -.191E-02 0.712E-01 -.399E-01   -.132E-03 0.270E-02 -.253E-02
   -.118E+02 0.359E+02 0.467E+02   0.118E+02 -.365E+02 -.470E+02   -.274E-01 0.603E+00 0.297E+00   0.136E-02 0.698E-02 -.871E-03
   0.234E+02 -.135E+02 0.913E+02   -.241E+02 0.139E+02 -.933E+02   0.629E+00 -.363E+00 0.201E+01   0.316E-02 -.183E-02 -.408E-02
   0.162E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.258E+02   0.225E+00 -.175E+00 -.424E-01   0.227E-02 -.526E-02 0.114E-02
   0.116E+01 -.122E+02 0.165E+02   -.117E+01 0.122E+02 -.165E+02   0.476E-02 -.212E-01 -.503E-01   0.401E-02 -.539E-02 -.339E-02
   -.409E+01 0.189E+01 0.140E+02   0.409E+01 -.190E+01 -.140E+02   -.948E-03 0.954E-02 -.367E-01   -.122E-02 -.965E-04 -.664E-02
   -.191E+02 0.110E+02 0.227E+02   0.191E+02 -.110E+02 -.226E+02   -.509E-01 0.294E-01 -.388E-01   -.221E-02 0.128E-02 0.386E-02
   -.369E+02 -.771E+01 0.467E+02   0.375E+02 0.799E+01 -.470E+02   -.536E+00 -.278E+00 0.297E+00   -.536E-02 -.467E-02 -.868E-03
   -.722E+01 -.301E+02 0.405E+02   0.741E+01 0.303E+02 -.404E+02   -.181E+00 -.198E+00 -.663E-01   0.430E-02 -.813E-02 0.284E-02
   -.278E+01 -.879E+01 0.165E+02   0.280E+01 0.880E+01 -.165E+02   -.212E-01 -.102E-01 -.357E-01   -.280E-02 -.222E-02 0.474E-02
   0.142E+01 -.819E+00 0.130E+02   -.142E+01 0.822E+00 -.130E+02   0.429E-03 -.248E-03 -.270E-01   0.111E-03 -.620E-04 0.298E-02
   -.369E+01 0.260E+01 0.140E+02   0.369E+01 -.259E+01 -.140E+02   -.874E-02 -.395E-02 -.367E-01   -.527E-03 0.111E-02 -.664E-02
   -.146E+02 -.166E+01 0.178E+02   0.147E+02 0.169E+01 -.177E+02   -.626E-01 -.339E-01 -.399E-01   -.240E-02 -.124E-02 -.252E-02
   -.151E+02 -.115E+02 0.225E+02   0.151E+02 0.116E+02 -.224E+02   -.874E-01 -.513E-01 -.471E-01   0.199E-02 -.148E-02 -.196E-03
   0.278E+01 0.879E+01 0.165E+02   -.280E+01 -.880E+01 -.165E+02   0.212E-01 0.102E-01 -.357E-01   0.280E-02 0.222E-02 0.474E-02
   0.151E+02 0.115E+02 0.225E+02   -.151E+02 -.116E+02 -.224E+02   0.874E-01 0.513E-01 -.471E-01   -.199E-02 0.148E-02 -.196E-03
   0.146E+02 0.166E+01 0.178E+02   -.147E+02 -.169E+01 -.177E+02   0.626E-01 0.339E-01 -.399E-01   0.240E-02 0.124E-02 -.252E-02
   0.369E+01 -.260E+01 0.140E+02   -.369E+01 0.259E+01 -.140E+02   0.874E-02 0.395E-02 -.367E-01   0.527E-03 -.111E-02 -.664E-02
   -.142E+01 0.819E+00 0.130E+02   0.142E+01 -.822E+00 -.130E+02   -.429E-03 0.248E-03 -.270E-01   -.111E-03 0.620E-04 0.298E-02
   -.116E+01 0.122E+02 0.165E+02   0.117E+01 -.122E+02 -.165E+02   -.476E-02 0.212E-01 -.503E-01   -.401E-02 0.539E-02 -.339E-02
   0.722E+01 0.301E+02 0.405E+02   -.741E+01 -.303E+02 -.404E+02   0.181E+00 0.198E+00 -.663E-01   -.430E-02 0.813E-02 0.284E-02
   0.369E+02 0.771E+01 0.467E+02   -.375E+02 -.799E+01 -.470E+02   0.536E+00 0.278E+00 0.297E+00   0.536E-02 0.467E-02 -.868E-03
   0.191E+02 -.110E+02 0.227E+02   -.191E+02 0.110E+02 -.226E+02   0.509E-01 -.294E-01 -.388E-01   0.221E-02 -.128E-02 0.386E-02
   0.409E+01 -.189E+01 0.140E+02   -.409E+01 0.190E+01 -.140E+02   0.948E-03 -.954E-02 -.367E-01   0.122E-02 0.965E-04 -.664E-02
   -.311E+01 0.361E+01 0.154E+02   0.312E+01 -.362E+01 -.153E+02   -.143E-01 0.840E-02 -.110E-01   -.113E-02 0.144E-02 -.729E-02
   -.162E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.258E+02   -.225E+00 0.175E+00 -.424E-01   -.227E-02 0.526E-02 0.114E-02
   -.234E+02 0.135E+02 0.913E+02   0.241E+02 -.139E+02 -.933E+02   -.629E+00 0.363E+00 0.201E+01   -.316E-02 0.183E-02 -.409E-02
   0.118E+02 -.359E+02 0.467E+02   -.118E+02 0.365E+02 -.470E+02   0.274E-01 -.603E+00 0.297E+00   -.136E-02 -.698E-02 -.871E-03
   0.587E+01 -.135E+02 0.178E+02   -.587E+01 0.136E+02 -.177E+02   0.191E-02 -.712E-01 -.399E-01   0.132E-03 -.270E-02 -.253E-02
   -.675E+00 -.391E+01 0.138E+02   0.675E+00 0.391E+01 -.138E+02   0.233E-02 0.246E-02 -.455E-02   0.747E-03 0.112E-02 -.308E-02
   -.906E+01 0.523E+01 0.156E+02   0.911E+01 -.526E+01 -.156E+02   -.429E-01 0.248E-01 -.150E-01   -.498E-02 0.288E-02 -.269E-02
   -.266E+02 0.343E+01 0.259E+02   0.268E+02 -.354E+01 -.258E+02   -.264E+00 0.107E+00 -.424E-01   -.569E-02 -.657E-03 0.114E-02
   -.225E+02 -.213E+02 0.405E+02   0.226E+02 0.216E+02 -.404E+02   -.811E-01 -.256E+00 -.663E-01   -.919E-02 -.337E-03 0.284E-02
   -.245E+01 -.188E+02 0.225E+02   0.245E+01 0.189E+02 -.224E+02   -.714E-03 -.101E+00 -.471E-01   -.227E-02 0.979E-03 -.198E-03
   0.202E+01 -.117E+01 0.137E+02   -.202E+01 0.117E+01 -.137E+02   0.569E-02 -.329E-02 -.314E-01   -.980E-03 0.569E-03 0.719E-02
   0.305E+01 0.254E+01 0.138E+02   -.305E+01 -.254E+01 -.138E+02   -.970E-03 -.325E-02 -.455E-02   -.598E-03 -.120E-02 -.307E-02
   -.468E+01 0.886E+00 0.154E+02   0.470E+01 -.895E+00 -.153E+02   -.144E-01 0.821E-02 -.110E-01   -.181E-02 0.259E-03 -.728E-02
   -.111E+02 -.508E+01 0.165E+02   0.111E+02 0.508E+01 -.165E+02   -.208E-01 -.650E-02 -.503E-01   -.667E-02 0.779E-03 -.339E-02
   -.622E+01 -.680E+01 0.165E+02   0.622E+01 0.682E+01 -.165E+02   0.176E-02 -.234E-01 -.357E-01   -.519E-03 -.353E-02 0.474E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.298E-03 0.101E+02   0.266E-12 0.533E-13 -.455E-12   -.410E-15 -.833E-16 -.101E+02   0.965E-07 -.623E-07 -.118E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85249      6.05957     12.33757         0.000000      0.000000      0.017744
      1.07831      6.50655     13.60000         0.002518     -0.001454     -0.009154
      2.62667      5.61260     13.60000        -0.002518      0.001454     -0.009154
      0.00010     -0.00006      9.97847        -0.006488      0.003746     -0.009665
     -1.23458      2.13697      9.97885        -0.008259      0.007080     -0.006123
     -2.46983      4.27678      9.98484         0.002745     -0.001832      0.002937
     -3.70352      6.41555      9.98219        -0.003100      0.000620      0.006968
     -4.93735      8.55387      9.97978        -0.000619      0.003726      0.003234
      2.46922      0.00021      9.97978        -0.003536     -0.001327      0.003234
      1.23401      2.13711      9.98319         0.001231     -0.002451     -0.002989
     -0.00249      4.27148      9.99661         0.008540     -0.004850     -0.004002
     -1.23809      6.41631     10.00844        -0.001004      0.000803     -0.004789
     -2.46871      8.55442      9.98601         0.000062     -0.000036      0.000792
      4.93797      0.00085      9.98219        -0.002087      0.002375      0.006968
      3.70442      2.13713      9.99065        -0.001728      0.002134      0.003206
      2.47026      4.26900     10.02995         0.002748      0.002573      0.000613
      1.22945      6.41928     10.03990        -0.001403      0.000810      0.007383
     -0.00174      8.55773     10.00844        -0.001197      0.000468     -0.004789
      7.40705      0.00182      9.98484         0.002959     -0.001461      0.002937
      6.17289      2.13927      9.98193        -0.003006      0.000132      0.005733
      4.93947      4.27731     10.00011        -0.001884      0.001088     -0.003749
      3.71206      6.41985     10.02995        -0.000854     -0.003666      0.000613
      2.47353      8.56008      9.99661         0.008470     -0.004971     -0.004002
      9.87781      0.00197      9.97885        -0.010261      0.003613     -0.006123
      8.64223      2.13952      9.97865        -0.004846      0.002798     -0.004056
      7.40778      4.27815      9.98193        -0.001617      0.002538      0.005733
      6.17539      6.41698      9.99065        -0.002712      0.000430      0.003206
      4.94020      8.55642      9.98319         0.002738      0.000160     -0.002989
     -0.00105      1.42479      9.97885         0.010261     -0.003613     -0.006123
     -1.23522      3.56272      9.98319        -0.002738     -0.000160     -0.002989
     -2.47041      5.70216      9.99065         0.002712     -0.000430      0.003206
     -3.70280      7.84100      9.98193         0.001617     -0.002538      0.005733
     -4.93725      9.97963      9.97865         0.004846     -0.002798     -0.004056
      2.46971      1.42494      9.98484        -0.002959      0.001461      0.002937
      1.23145      3.55907      9.99661        -0.008470      0.004971     -0.004002
     -0.00708      5.69929     10.02995         0.000854      0.003666      0.000613
     -1.23448      7.84184     10.00011         0.001884     -0.001088     -0.003749
     -2.46791      9.97988      9.98193         0.003006     -0.000132      0.005733
      4.93879      1.42592      9.98219         0.002087     -0.002375      0.006968
      3.70672      3.56142     10.00844         0.001197     -0.000468     -0.004789
      2.47553      5.69986     10.03990         0.001403     -0.000810      0.007383
      1.23472      7.85015     10.02995        -0.002748     -0.002573      0.000613
      0.00056      9.98202      9.99065         0.001728     -0.002134      0.003206
      7.40754      1.42655      9.97978         0.003536      0.001327      0.003234
      6.17369      3.56473      9.98601        -0.000062      0.000036      0.000792
      4.94307      5.70284     10.00844         0.001004     -0.000803     -0.004789
      3.70747      7.84766      9.99661        -0.008540      0.004850     -0.004002
      2.47097      9.98203      9.98319        -0.001231      0.002451     -0.002989
      9.87666      1.42682      9.97847         0.006488     -0.003746     -0.009665
      8.64233      3.56528      9.97978         0.000619     -0.003726      0.003234
      7.40850      5.70359      9.98219         0.003100     -0.000620      0.006968
      6.17481      7.84236      9.98484        -0.002745      0.001832      0.002937
      4.93956      9.98218      9.97885         0.008259     -0.007080     -0.006123
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000298      0.017740


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000160  1 .order   -0.000216   -0.000219   -0.000212
  (g-gl).g = 0.265E-03      g.g   = 0.276E-03  gl.gl    = 0.147E-02
 g(Force)  = 0.133E-03   g(Stress)= 0.143E-03 ortho     = 0.142E-04
 gamma     =   0.18024
 trial     =   0.78618
 opt step  =   3.14472  (harmonic =  25.54345) maximal distance =0.00204840
 next E    =  -471.730143   (d E  =  -0.00356)


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


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  151.00: CPU time   75.54
     LOOP+:  VPU time 4605.68: CPU time 2351.65


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


    POTLOK:  VPU time    7.69: CPU time    7.67
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1448.70: CPU time  740.12
 BZINTS: Fermi energy: -3.206014;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.19: CPU time   45.47
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1547.04: CPU time  793.69

 eigenvalue-minimisations  :  5920
 total energy-change (2. order) :-0.4717271E+03  (-0.1714020E-01)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9627327 magnetization   -0.0000013

 Broyden mixing:
  rms(total) = 0.15338E-01    rms(broyden)= 0.15333E-01
  rms(prec ) = 0.17399E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34140.38137232
  -1/2 Hartree   DENC   =    -41024.14578136
  -V(xc)+E(xc)   XCENC  =       726.55306151
  PAW double counting   =      4093.56346057    -4131.89314355
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2481.62595074
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72712765 eV

  energy without entropy =     -471.72712765  energy(sigma->0) =     -471.72712765


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




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


    POTLOK:  VPU time    7.67: CPU time    7.67
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1586.92: CPU time  810.56
 BZINTS: Fermi energy: -3.209388;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.16: CPU time   45.44
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1685.21: CPU time  864.11

 eigenvalue-minimisations  :  6688
 total energy-change (2. order) : 0.8573150E-03  (-0.3192584E-03)
 number of electron  212.0000013 magnetization    0.0000000
 augmentation part     7.9646550 magnetization    0.0000013

 Broyden mixing:
  rms(total) = 0.93638E-02    rms(broyden)= 0.93631E-02
  rms(prec ) = 0.10667E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0634
  2.0634

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34140.38137232
  -1/2 Hartree   DENC   =    -41026.06048932
  -V(xc)+E(xc)   XCENC  =       726.61494692
  PAW double counting   =      4095.28720039    -4133.62646589
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2479.76268835
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72627033 eV

  energy without entropy =     -471.72627033  energy(sigma->0) =     -471.72627033


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




----------------------------------------- Iteration   13(   3)  ---------------------------------------


    POTLOK:  VPU time    7.66: CPU time    7.66
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1463.59: CPU time  747.72
 BZINTS: Fermi energy: -3.211502;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.22: CPU time   45.44
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1561.94: CPU time  801.26

 eigenvalue-minimisations  :  6008
 total energy-change (2. order) : 0.6628528E-03  (-0.1383412E-03)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9628931 magnetization   -0.0000030

 Broyden mixing:
  rms(total) = 0.19027E-02    rms(broyden)= 0.19014E-02
  rms(prec ) = 0.23152E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5353
  2.1139  0.9567

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34140.38137232
  -1/2 Hartree   DENC   =    -41028.81985724
  -V(xc)+E(xc)   XCENC  =       726.69818982
  PAW double counting   =      4097.38646716    -4135.73535618
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2477.07627696
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72560748 eV

  energy without entropy =     -471.72560748  energy(sigma->0) =     -471.72560748


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




----------------------------------------- Iteration   13(   4)  ---------------------------------------


    POTLOK:  VPU time    7.66: CPU time    7.66
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1248.44: CPU time  638.43
 BZINTS: Fermi energy: -3.211426;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1256.44: CPU time  646.40

 eigenvalue-minimisations  :  4808
 total energy-change (2. order) : 0.5859691E-05  (-0.1160988E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9628931 magnetization   -0.0000030

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34140.38137232
  -1/2 Hartree   DENC   =    -41029.12002554
  -V(xc)+E(xc)   XCENC  =       726.70128949
  PAW double counting   =      4097.17374256    -4135.51950253
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2476.78233152
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72560162 eV

  energy without entropy =     -471.72560162  energy(sigma->0) =     -471.72560162


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2131       2 -39.5383       3 -39.5384       4 -58.3179       5 -58.3219
       6 -58.3247       7 -58.3191       8 -58.3191       9 -58.3191      10 -58.3263
      11 -58.3925      12 -58.3567      13 -58.3276      14 -58.3191      15 -58.3287
      16 -58.5462      17 -58.7346      18 -58.3567      19 -58.3247      20 -58.3240
      21 -58.3635      22 -58.5462      23 -58.3925      24 -58.3220      25 -58.3279
      26 -58.3240      27 -58.3287      28 -58.3264      29 -58.3218      30 -58.3262
      31 -58.3286      32 -58.3239      33 -58.3278      34 -58.3246      35 -58.3924
      36 -58.5461      37 -58.3634      38 -58.3239      39 -58.3190      40 -58.3566
      41 -58.7345      42 -58.5461      43 -58.3286      44 -58.3189      45 -58.3274
      46 -58.3566      47 -58.3924      48 -58.3262      49 -58.3178      50 -58.3189
      51 -58.3190      52 -58.3246      53 -58.3219
 
 
 
 E-fermi :  -3.2114     XC(G=0):  -2.3877     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     -22.4401      1.00000
      2     -21.6141      1.00000
      3     -21.4942      1.00000
      4     -21.4854      1.00000
      5     -21.4562      1.00000
      6     -21.4554      1.00000
      7     -21.4455      1.00000
      8     -19.7190      1.00000
      9     -19.6649      1.00000
     10     -19.6419      1.00000
     11     -19.6316      1.00000
     12     -19.6257      1.00000
     13     -19.6254      1.00000
     14     -18.8016      1.00000
     15     -18.7680      1.00000
     16     -18.7462      1.00000
     17     -18.7380      1.00000
     18     -18.7304      1.00000
     19     -18.7244      1.00000
     20     -16.6415      1.00000
     21     -16.6178      1.00000
     22     -16.5964      1.00000
     23     -16.5901      1.00000
     24     -16.5655      1.00000
     25     -16.5631      1.00000
     26     -15.6291      1.00000
     27     -15.6144      1.00000
     28     -15.6094      1.00000
     29     -15.5759      1.00000
     30     -15.5736      1.00000
     31     -15.5725      1.00000
     32     -14.2707      1.00000
     33     -14.2608      1.00000
     34     -14.2499      1.00000
     35     -14.2453      1.00000
     36     -14.2327      1.00000
     37     -14.2312      1.00000
     38     -11.9164      1.00000
     39     -11.8882      1.00000
     40     -11.8757      1.00000
     41     -11.8710      1.00000
     42     -11.8521      1.00000
     43     -11.8515      1.00000
     44     -11.7814      1.00000
     45     -11.7769      1.00000
     46     -11.7483      1.00000
     47     -11.7408      1.00000
     48     -11.7353      1.00000
     49     -11.7338      1.00000
     50     -10.6838      1.00000
     51     -10.3990      1.00000
     52     -10.3939      1.00000
     53     -10.3851      1.00000
     54     -10.3801      1.00000
     55     -10.3660      1.00000
     56     -10.3636      1.00000
     57      -9.9113      1.00000
     58      -9.4590      1.00000
     59      -9.4159      1.00000
     60      -9.3750      1.00000
     61      -9.3745      1.00000
     62      -9.3668      1.00000
     63      -9.1526      1.00000
     64      -9.1291      1.00000
     65      -9.1268      1.00000
     66      -9.0931      1.00000
     67      -9.0835      1.00000
     68      -9.0832      1.00000
     69      -9.0772      1.00000
     70      -9.0742      1.00000
     71      -9.0683      1.00000
     72      -9.0423      1.00000
     73      -9.0371      1.00000
     74      -9.0359      1.00000
     75      -8.1433      1.00000
     76      -7.7340      1.00000
     77      -7.4777      1.00000
     78      -7.4764      1.00000
     79      -7.4597      1.00000
     80      -7.4401      1.00000
     81      -7.4364      1.00000
     82      -7.4116      1.00000
     83      -7.3203      1.00000
     84      -7.2803      1.00000
     85      -7.2664      1.00000
     86      -7.2585      1.00000
     87      -7.1641      1.00000
     88      -7.0487      1.00000
     89      -6.4549      1.00000
     90      -6.4229      1.00000
     91      -6.4091      1.00000
     92      -6.3726      1.00000
     93      -6.3615      1.00000
     94      -6.3475      1.00000
     95      -5.9674      1.00000
     96      -5.9614      1.00000
     97      -4.8004      1.00000
     98      -4.5475      1.00000
     99      -4.4865      1.00000
    100      -4.4777      1.00000
    101      -4.3909      1.00000
    102      -4.3895      1.00000
    103      -4.2704      1.00000
    104      -4.1906      1.00000
    105      -3.7397      1.00000
    106      -3.4770      1.00000
    107      -1.8680      0.00000
    108      -1.6823      0.00000
    109      -1.6278      0.00000
    110      -1.5963      0.00000
    111      -1.5807      0.00000
    112      -1.5797      0.00000
    113      -0.4374      0.00000
    114       0.1366      0.00000
    115       0.1885      0.00000
    116       0.2534      0.00000
    117       0.2612      0.00000
    118       0.2668      0.00000
    119       0.4694      0.00000
    120       0.5074      0.00000
    121       1.2043      0.00000
    122       1.2730      0.00000
    123       1.4682      0.00000
    124       1.7348      0.00000
    125       1.7357      0.00000
    126       1.7374      0.00000
    127       1.7866      0.00000
    128       1.8121      0.00000
    129       1.9541      0.00000
    130       1.9571      0.00000
    131       1.9723      0.00000
    132       1.9866      0.00000
    133       1.9955      0.00000
    134       2.0431      0.00000
    135       2.1907      0.00000
    136       2.3084      0.00000
    137       2.5323      0.00000
    138       2.5362      0.00000
    139       2.5525      0.00000
    140       2.6514      0.00000
    141       2.8910      0.00000
    142       3.0212      0.00000
    143       3.0487      0.00000
    144       3.0527      0.00000
    145       3.0827      0.00000
    146       3.0853      0.00000
    147       3.0895      0.00000
    148       3.2205      0.00000
    149       3.4077      0.00000
    150       3.4617      0.00000
    151       3.7899      0.00000
    152       3.9094      0.00000
    153       3.9128      0.00000
    154       3.9160      0.00000
    155       3.9301      0.00000
    156       3.9666      0.00000
    157       4.1370      0.00000
    158       4.2206      0.00000
    159       4.2325      0.00000
    160       4.2519      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4033      1.00000
      2     -21.8436      1.00000
      3     -21.6527      1.00000
      4     -21.6245      1.00000
      5     -21.2879      1.00000
      6     -21.2494      1.00000
      7     -21.0710      1.00000
      8     -20.1802      1.00000
      9     -20.1426      1.00000
     10     -19.6214      1.00000
     11     -19.6105      1.00000
     12     -19.4298      1.00000
     13     -19.1009      1.00000
     14     -19.0737      1.00000
     15     -19.0615      1.00000
     16     -19.0533      1.00000
     17     -18.3727      1.00000
     18     -18.3644      1.00000
     19     -18.0299      1.00000
     20     -17.0782      1.00000
     21     -17.0402      1.00000
     22     -16.9537      1.00000
     23     -16.9519      1.00000
     24     -16.4777      1.00000
     25     -16.4747      1.00000
     26     -15.6269      1.00000
     27     -15.6192      1.00000
     28     -15.2635      1.00000
     29     -15.2531      1.00000
     30     -15.1950      1.00000
     31     -15.1087      1.00000
     32     -15.0813      1.00000
     33     -14.7105      1.00000
     34     -14.7070      1.00000
     35     -13.7377      1.00000
     36     -13.7336      1.00000
     37     -13.2445      1.00000
     38     -12.6226      1.00000
     39     -12.5920      1.00000
     40     -12.4656      1.00000
     41     -12.4612      1.00000
     42     -12.1183      1.00000
     43     -12.1133      1.00000
     44     -11.7288      1.00000
     45     -11.6985      1.00000
     46     -11.2444      1.00000
     47     -11.2335      1.00000
     48     -11.0276      1.00000
     49     -11.0189      1.00000
     50     -10.9377      1.00000
     51     -10.9166      1.00000
     52     -10.6379      1.00000
     53     -10.1632      1.00000
     54     -10.1611      1.00000
     55     -10.0998      1.00000
     56     -10.0071      1.00000
     57      -9.7141      1.00000
     58      -9.7028      1.00000
     59      -9.6675      1.00000
     60      -9.6012      1.00000
     61      -9.5864      1.00000
     62      -9.5676      1.00000
     63      -9.3160      1.00000
     64      -9.3106      1.00000
     65      -9.2841      1.00000
     66      -9.2470      1.00000
     67      -9.1475      1.00000
     68      -9.1227      1.00000
     69      -9.1206      1.00000
     70      -8.9513      1.00000
     71      -8.8830      1.00000
     72      -8.6121      1.00000
     73      -8.5991      1.00000
     74      -8.2470      1.00000
     75      -8.1065      1.00000
     76      -7.9175      1.00000
     77      -7.8732      1.00000
     78      -7.7791      1.00000
     79      -7.7639      1.00000
     80      -7.7029      1.00000
     81      -7.5574      1.00000
     82      -7.3461      1.00000
     83      -7.3289      1.00000
     84      -7.2147      1.00000
     85      -7.1287      1.00000
     86      -7.0399      1.00000
     87      -7.0207      1.00000
     88      -6.7130      1.00000
     89      -6.6872      1.00000
     90      -6.6491      1.00000
     91      -6.6044      1.00000
     92      -6.1208      1.00000
     93      -6.0704      1.00000
     94      -6.0388      1.00000
     95      -6.0194      1.00000
     96      -5.7901      1.00000
     97      -4.9736      1.00000
     98      -4.8383      1.00000
     99      -4.7533      1.00000
    100      -4.6862      1.00000
    101      -4.4669      1.00000
    102      -4.2052      1.00000
    103      -4.1771      1.00000
    104      -4.1336      1.00000
    105      -3.7306      1.00000
    106      -3.4870      1.00000
    107      -1.8759      0.00000
    108      -1.8171      0.00000
    109      -1.5295      0.00000
    110      -1.3843      0.00000
    111      -1.3266      0.00000
    112      -1.2927      0.00000
    113      -0.7250      0.00000
    114      -0.3823      0.00000
    115      -0.2570      0.00000
    116       0.0285      0.00000
    117       0.5207      0.00000
    118       0.6860      0.00000
    119       0.7408      0.00000
    120       1.0341      0.00000
    121       1.0964      0.00000
    122       1.1305      0.00000
    123       1.2165      0.00000
    124       1.3423      0.00000
    125       1.4808      0.00000
    126       1.5277      0.00000
    127       1.6804      0.00000
    128       1.7874      0.00000
    129       1.8501      0.00000
    130       1.8724      0.00000
    131       2.0587      0.00000
    132       2.1336      0.00000
    133       2.1979      0.00000
    134       2.2483      0.00000
    135       2.4602      0.00000
    136       2.5253      0.00000
    137       2.6202      0.00000
    138       2.7361      0.00000
    139       2.7700      0.00000
    140       2.8182      0.00000
    141       2.8426      0.00000
    142       2.8591      0.00000
    143       2.9155      0.00000
    144       3.0079      0.00000
    145       3.1047      0.00000
    146       3.2507      0.00000
    147       3.3641      0.00000
    148       3.4118      0.00000
    149       3.4282      0.00000
    150       3.5745      0.00000
    151       3.6125      0.00000
    152       3.6370      0.00000
    153       3.6785      0.00000
    154       3.8545      0.00000
    155       3.9030      0.00000
    156       3.9649      0.00000
    157       4.0097      0.00000
    158       4.1848      0.00000
    159       4.2138      0.00000
    160       4.2197      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2967      1.00000
      2     -22.0923      1.00000
      3     -21.7309      1.00000
      4     -21.6991      1.00000
      5     -20.9924      1.00000
      6     -20.9527      1.00000
      7     -20.6248      1.00000
      8     -20.5885      1.00000
      9     -20.5826      1.00000
     10     -20.0456      1.00000
     11     -19.5161      1.00000
     12     -19.5043      1.00000
     13     -19.3200      1.00000
     14     -19.3148      1.00000
     15     -18.4589      1.00000
     16     -18.4226      1.00000
     17     -17.9337      1.00000
     18     -17.9249      1.00000
     19     -17.7718      1.00000
     20     -17.7368      1.00000
     21     -17.4467      1.00000
     22     -17.4402      1.00000
     23     -17.3505      1.00000
     24     -16.4738      1.00000
     25     -16.4727      1.00000
     26     -15.9787      1.00000
     27     -15.4267      1.00000
     28     -15.4203      1.00000
     29     -15.1090      1.00000
     30     -15.1041      1.00000
     31     -14.8644      1.00000
     32     -14.8558      1.00000
     33     -14.2998      1.00000
     34     -14.2667      1.00000
     35     -13.4454      1.00000
     36     -13.4126      1.00000
     37     -13.1879      1.00000
     38     -13.1834      1.00000
     39     -12.9942      1.00000
     40     -12.9890      1.00000
     41     -12.6229      1.00000
     42     -12.6190      1.00000
     43     -12.2057      1.00000
     44     -11.5878      1.00000
     45     -11.5547      1.00000
     46     -11.3224      1.00000
     47     -11.2999      1.00000
     48     -11.1495      1.00000
     49     -10.6841      1.00000
     50     -10.6687      1.00000
     51     -10.5594      1.00000
     52     -10.3312      1.00000
     53     -10.3274      1.00000
     54     -10.1825      1.00000
     55     -10.1234      1.00000
     56     -10.1213      1.00000
     57      -9.8097      1.00000
     58      -9.7715      1.00000
     59      -9.7627      1.00000
     60      -9.7112      1.00000
     61      -9.7032      1.00000
     62      -9.6729      1.00000
     63      -9.3624      1.00000
     64      -9.3603      1.00000
     65      -9.3265      1.00000
     66      -9.0510      1.00000
     67      -8.9689      1.00000
     68      -8.9586      1.00000
     69      -8.8094      1.00000
     70      -8.6047      1.00000
     71      -8.5688      1.00000
     72      -8.4071      1.00000
     73      -8.3754      1.00000
     74      -8.3323      1.00000
     75      -8.3138      1.00000
     76      -8.2683      1.00000
     77      -8.2641      1.00000
     78      -8.2461      1.00000
     79      -7.9170      1.00000
     80      -7.6572      1.00000
     81      -7.5453      1.00000
     82      -7.3939      1.00000
     83      -7.3555      1.00000
     84      -7.2361      1.00000
     85      -7.1069      1.00000
     86      -7.0463      1.00000
     87      -6.9436      1.00000
     88      -6.8517      1.00000
     89      -6.6208      1.00000
     90      -6.5636      1.00000
     91      -6.2780      1.00000
     92      -6.0497      1.00000
     93      -5.9594      1.00000
     94      -5.6696      1.00000
     95      -5.6310      1.00000
     96      -5.4661      1.00000
     97      -5.3260      1.00000
     98      -5.2866      1.00000
     99      -5.2215      1.00000
    100      -5.2022      1.00000
    101      -4.5031      1.00000
    102      -4.2089      1.00000
    103      -4.0614      1.00000
    104      -3.9954      1.00000
    105      -3.6970      1.00000
    106      -3.4971      1.00000
    107      -1.9513      0.00000
    108      -1.9043      0.00000
    109      -1.3433      0.00000
    110      -1.0912      0.00000
    111      -1.0649      0.00000
    112      -0.8047      0.00000
    113      -0.6862      0.00000
    114      -0.6514      0.00000
    115      -0.6112      0.00000
    116      -0.1165      0.00000
    117       0.2117      0.00000
    118       0.3225      0.00000
    119       0.6585      0.00000
    120       0.8543      0.00000
    121       1.1110      0.00000
    122       1.1928      0.00000
    123       1.2929      0.00000
    124       1.3812      0.00000
    125       1.5329      0.00000
    126       1.5668      0.00000
    127       1.6327      0.00000
    128       1.7723      0.00000
    129       1.8240      0.00000
    130       2.0028      0.00000
    131       2.1036      0.00000
    132       2.3110      0.00000
    133       2.3449      0.00000
    134       2.3481      0.00000
    135       2.4852      0.00000
    136       2.5909      0.00000
    137       2.6865      0.00000
    138       2.7411      0.00000
    139       2.8078      0.00000
    140       2.8459      0.00000
    141       3.0070      0.00000
    142       3.0154      0.00000
    143       3.1055      0.00000
    144       3.2132      0.00000
    145       3.3099      0.00000
    146       3.3664      0.00000
    147       3.3856      0.00000
    148       3.5363      0.00000
    149       3.5437      0.00000
    150       3.5621      0.00000
    151       3.6218      0.00000
    152       3.6493      0.00000
    153       3.7364      0.00000
    154       3.7559      0.00000
    155       3.7866      0.00000
    156       3.8470      0.00000
    157       3.8705      0.00000
    158       3.9323      0.00000
    159       4.1542      0.00000
    160       4.1849      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3309      1.00000
      2     -21.9760      1.00000
      3     -21.9089      1.00000
      4     -21.3951      1.00000
      5     -21.3656      1.00000
      6     -20.8518      1.00000
      7     -20.7888      1.00000
      8     -20.6371      1.00000
      9     -20.0910      1.00000
     10     -20.0852      1.00000
     11     -19.7301      1.00000
     12     -19.7048      1.00000
     13     -19.0088      1.00000
     14     -19.0028      1.00000
     15     -18.6543      1.00000
     16     -18.6377      1.00000
     17     -18.4729      1.00000
     18     -17.6845      1.00000
     19     -17.6346      1.00000
     20     -17.6322      1.00000
     21     -17.5918      1.00000
     22     -17.1383      1.00000
     23     -17.1158      1.00000
     24     -16.9737      1.00000
     25     -16.0126      1.00000
     26     -15.9430      1.00000
     27     -15.5969      1.00000
     28     -15.5964      1.00000
     29     -15.2968      1.00000
     30     -14.8754      1.00000
     31     -14.8473      1.00000
     32     -14.5868      1.00000
     33     -14.5465      1.00000
     34     -14.1796      1.00000
     35     -14.1681      1.00000
     36     -13.1572      1.00000
     37     -13.1107      1.00000
     38     -13.0391      1.00000
     39     -13.0269      1.00000
     40     -12.7173      1.00000
     41     -12.7130      1.00000
     42     -12.3530      1.00000
     43     -12.3236      1.00000
     44     -11.6479      1.00000
     45     -11.6327      1.00000
     46     -11.5833      1.00000
     47     -10.9599      1.00000
     48     -10.9285      1.00000
     49     -10.6387      1.00000
     50     -10.6322      1.00000
     51     -10.5542      1.00000
     52     -10.5112      1.00000
     53     -10.5105      1.00000
     54     -10.4472      1.00000
     55     -10.3670      1.00000
     56     -10.1103      1.00000
     57      -9.9160      1.00000
     58      -9.6142      1.00000
     59      -9.5629      1.00000
     60      -9.4643      1.00000
     61      -9.4222      1.00000
     62      -9.4146      1.00000
     63      -9.3849      1.00000
     64      -9.3840      1.00000
     65      -9.2971      1.00000
     66      -9.1800      1.00000
     67      -9.1530      1.00000
     68      -9.1234      1.00000
     69      -8.8754      1.00000
     70      -8.8676      1.00000
     71      -8.8248      1.00000
     72      -8.6081      1.00000
     73      -8.4901      1.00000
     74      -8.2085      1.00000
     75      -8.1739      1.00000
     76      -8.0206      1.00000
     77      -7.9640      1.00000
     78      -7.8569      1.00000
     79      -7.8458      1.00000
     80      -7.7128      1.00000
     81      -7.7022      1.00000
     82      -7.6332      1.00000
     83      -7.4516      1.00000
     84      -7.3131      1.00000
     85      -7.2490      1.00000
     86      -6.9136      1.00000
     87      -6.9016      1.00000
     88      -6.5977      1.00000
     89      -6.5580      1.00000
     90      -6.4098      1.00000
     91      -6.2622      1.00000
     92      -6.2409      1.00000
     93      -6.2151      1.00000
     94      -6.0297      1.00000
     95      -5.5562      1.00000
     96      -5.4944      1.00000
     97      -5.3548      1.00000
     98      -5.2277      1.00000
     99      -4.9869      1.00000
    100      -4.7343      1.00000
    101      -4.6845      1.00000
    102      -4.3875      1.00000
    103      -4.2042      1.00000
    104      -3.8695      1.00000
    105      -3.5529      1.00000
    106      -3.5085      1.00000
    107      -2.2635      0.00000
    108      -1.4624      0.00000
    109      -1.3789      0.00000
    110      -1.2474      0.00000
    111      -1.1019      0.00000
    112      -0.9501      0.00000
    113      -0.8688      0.00000
    114      -0.8074      0.00000
    115      -0.1491      0.00000
    116       0.1030      0.00000
    117       0.2343      0.00000
    118       0.3729      0.00000
    119       0.6142      0.00000
    120       0.8248      0.00000
    121       0.9325      0.00000
    122       1.0369      0.00000
    123       1.1940      0.00000
    124       1.4113      0.00000
    125       1.4916      0.00000
    126       1.7626      0.00000
    127       1.7765      0.00000
    128       1.8376      0.00000
    129       1.9041      0.00000
    130       2.0098      0.00000
    131       2.1198      0.00000
    132       2.1622      0.00000
    133       2.3629      0.00000
    134       2.4442      0.00000
    135       2.5185      0.00000
    136       2.5996      0.00000
    137       2.6294      0.00000
    138       2.6550      0.00000
    139       2.7357      0.00000
    140       2.7740      0.00000
    141       2.8940      0.00000
    142       3.0343      0.00000
    143       3.1439      0.00000
    144       3.1876      0.00000
    145       3.2179      0.00000
    146       3.2847      0.00000
    147       3.2851      0.00000
    148       3.4152      0.00000
    149       3.4385      0.00000
    150       3.6459      0.00000
    151       3.6599      0.00000
    152       3.7034      0.00000
    153       3.8210      0.00000
    154       3.8643      0.00000
    155       3.8946      0.00000
    156       3.9624      0.00000
    157       3.9863      0.00000
    158       4.0019      0.00000
    159       4.0269      0.00000
    160       4.0369      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2222      1.00000
      2     -22.1331      1.00000
      3     -21.9716      1.00000
      4     -21.4185      1.00000
      5     -21.0632      1.00000
      6     -21.0275      1.00000
      7     -20.5137      1.00000
      8     -20.4744      1.00000
      9     -20.3083      1.00000
     10     -20.2891      1.00000
     11     -19.9698      1.00000
     12     -19.9063      1.00000
     13     -18.8941      1.00000
     14     -18.8276      1.00000
     15     -18.3637      1.00000
     16     -18.3181      1.00000
     17     -18.1650      1.00000
     18     -18.1482      1.00000
     19     -17.8373      1.00000
     20     -17.8007      1.00000
     21     -17.2618      1.00000
     22     -17.2533      1.00000
     23     -17.1739      1.00000
     24     -17.1449      1.00000
     25     -16.1224      1.00000
     26     -15.8988      1.00000
     27     -15.8827      1.00000
     28     -15.8442      1.00000
     29     -15.2452      1.00000
     30     -14.5670      1.00000
     31     -14.5383      1.00000
     32     -14.2888      1.00000
     33     -13.9727      1.00000
     34     -13.9662      1.00000
     35     -13.8290      1.00000
     36     -13.8140      1.00000
     37     -13.6241      1.00000
     38     -13.5813      1.00000
     39     -13.3836      1.00000
     40     -12.6465      1.00000
     41     -12.1901      1.00000
     42     -12.1433      1.00000
     43     -12.0831      1.00000
     44     -12.0334      1.00000
     45     -11.6771      1.00000
     46     -11.6644      1.00000
     47     -11.1483      1.00000
     48     -11.1277      1.00000
     49     -10.8048      1.00000
     50     -10.7441      1.00000
     51     -10.5334      1.00000
     52     -10.2166      1.00000
     53     -10.2150      1.00000
     54     -10.1776      1.00000
     55     -10.0275      1.00000
     56     -10.0154      1.00000
     57     -10.0010      1.00000
     58      -9.8120      1.00000
     59      -9.8044      1.00000
     60      -9.7710      1.00000
     61      -9.7651      1.00000
     62      -9.4657      1.00000
     63      -9.4275      1.00000
     64      -9.0894      1.00000
     65      -9.0805      1.00000
     66      -9.0502      1.00000
     67      -8.9637      1.00000
     68      -8.8873      1.00000
     69      -8.7206      1.00000
     70      -8.7077      1.00000
     71      -8.5768      1.00000
     72      -8.5530      1.00000
     73      -8.5088      1.00000
     74      -8.4698      1.00000
     75      -8.4636      1.00000
     76      -8.2684      1.00000
     77      -8.1357      1.00000
     78      -8.0530      1.00000
     79      -7.9232      1.00000
     80      -7.8699      1.00000
     81      -7.6256      1.00000
     82      -7.5563      1.00000
     83      -7.5002      1.00000
     84      -7.2608      1.00000
     85      -7.0018      1.00000
     86      -6.9281      1.00000
     87      -6.8879      1.00000
     88      -6.5397      1.00000
     89      -6.4966      1.00000
     90      -6.4674      1.00000
     91      -6.4198      1.00000
     92      -5.9895      1.00000
     93      -5.9042      1.00000
     94      -5.7922      1.00000
     95      -5.7684      1.00000
     96      -5.4355      1.00000
     97      -5.3355      1.00000
     98      -5.2384      1.00000
     99      -5.2248      1.00000
    100      -5.1966      1.00000
    101      -4.6959      1.00000
    102      -4.4198      1.00000
    103      -4.2105      1.00000
    104      -3.8315      1.00000
    105      -3.5277      1.00000
    106      -3.2813      1.00000
    107      -2.5380      0.00000
    108      -1.4633      0.00000
    109      -1.2733      0.00000
    110      -1.2095      0.00000
    111      -1.1781      0.00000
    112      -0.7252      0.00000
    113      -0.5089      0.00000
    114      -0.4184      0.00000
    115      -0.3446      0.00000
    116      -0.1514      0.00000
    117      -0.0063      0.00000
    118       0.1859      0.00000
    119       0.5516      0.00000
    120       0.6075      0.00000
    121       0.7643      0.00000
    122       0.8702      0.00000
    123       1.0930      0.00000
    124       1.4419      0.00000
    125       1.5927      0.00000
    126       1.7773      0.00000
    127       1.8788      0.00000
    128       2.0519      0.00000
    129       2.0732      0.00000
    130       2.1364      0.00000
    131       2.1783      0.00000
    132       2.2749      0.00000
    133       2.3183      0.00000
    134       2.4479      0.00000
    135       2.5520      0.00000
    136       2.6136      0.00000
    137       2.8064      0.00000
    138       2.8650      0.00000
    139       2.8774      0.00000
    140       2.9713      0.00000
    141       2.9797      0.00000
    142       3.0967      0.00000
    143       3.1590      0.00000
    144       3.1997      0.00000
    145       3.2409      0.00000
    146       3.2490      0.00000
    147       3.2847      0.00000
    148       3.3186      0.00000
    149       3.3604      0.00000
    150       3.3909      0.00000
    151       3.4821      0.00000
    152       3.5739      0.00000
    153       3.6892      0.00000
    154       3.6987      0.00000
    155       3.7201      0.00000
    156       3.8591      0.00000
    157       3.8901      0.00000
    158       3.9532      0.00000
    159       4.0603      0.00000
    160       4.1567      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3308      1.00000
      2     -21.9774      1.00000
      3     -21.9076      1.00000
      4     -21.3983      1.00000
      5     -21.3619      1.00000
      6     -20.8521      1.00000
      7     -20.7880      1.00000
      8     -20.6385      1.00000
      9     -20.1020      1.00000
     10     -20.0738      1.00000
     11     -19.7318      1.00000
     12     -19.7027      1.00000
     13     -19.0216      1.00000
     14     -18.9910      1.00000
     15     -18.6612      1.00000
     16     -18.6291      1.00000
     17     -18.4732      1.00000
     18     -17.6711      1.00000
     19     -17.6585      1.00000
     20     -17.6220      1.00000
     21     -17.5909      1.00000
     22     -17.1469      1.00000
     23     -17.1083      1.00000
     24     -16.9756      1.00000
     25     -16.0171      1.00000
     26     -15.9351      1.00000
     27     -15.6107      1.00000
     28     -15.5872      1.00000
     29     -15.2899      1.00000
     30     -14.8873      1.00000
     31     -14.8409      1.00000
     32     -14.5843      1.00000
     33     -14.5481      1.00000
     34     -14.1728      1.00000
     35     -14.1697      1.00000
     36     -13.1715      1.00000
     37     -13.1076      1.00000
     38     -13.0349      1.00000
     39     -13.0280      1.00000
     40     -12.7280      1.00000
     41     -12.7048      1.00000
     42     -12.3513      1.00000
     43     -12.3252      1.00000
     44     -11.6387      1.00000
     45     -11.6304      1.00000
     46     -11.5811      1.00000
     47     -10.9501      1.00000
     48     -10.9322      1.00000
     49     -10.6745      1.00000
     50     -10.6004      1.00000
     51     -10.5822      1.00000
     52     -10.5095      1.00000
     53     -10.4980      1.00000
     54     -10.4474      1.00000
     55     -10.3674      1.00000
     56     -10.1143      1.00000
     57      -9.9104      1.00000
     58      -9.6183      1.00000
     59      -9.5638      1.00000
     60      -9.4645      1.00000
     61      -9.4246      1.00000
     62      -9.4194      1.00000
     63      -9.3912      1.00000
     64      -9.3818      1.00000
     65      -9.2781      1.00000
     66      -9.1714      1.00000
     67      -9.1474      1.00000
     68      -9.1246      1.00000
     69      -8.8752      1.00000
     70      -8.8669      1.00000
     71      -8.8122      1.00000
     72      -8.6076      1.00000
     73      -8.5346      1.00000
     74      -8.2010      1.00000
     75      -8.1782      1.00000
     76      -8.0871      1.00000
     77      -7.8673      1.00000
     78      -7.8456      1.00000
     79      -7.8290      1.00000
     80      -7.7180      1.00000
     81      -7.7040      1.00000
     82      -7.6099      1.00000
     83      -7.5284      1.00000
     84      -7.3603      1.00000
     85      -7.1672      1.00000
     86      -6.9128      1.00000
     87      -6.9014      1.00000
     88      -6.6008      1.00000
     89      -6.5592      1.00000
     90      -6.4138      1.00000
     91      -6.3101      1.00000
     92      -6.2559      1.00000
     93      -6.2057      1.00000
     94      -6.0115      1.00000
     95      -5.5375      1.00000
     96      -5.4734      1.00000
     97      -5.3197      1.00000
     98      -5.2182      1.00000
     99      -5.0507      1.00000
    100      -4.7279      1.00000
    101      -4.6775      1.00000
    102      -4.4219      1.00000
    103      -4.1966      1.00000
    104      -3.8408      1.00000
    105      -3.6370      1.00000
    106      -3.4194      1.00000
    107      -2.2987      0.00000
    108      -1.5152      0.00000
    109      -1.2759      0.00000
    110      -1.2677      0.00000
    111      -1.0393      0.00000
    112      -0.9855      0.00000
    113      -0.8742      0.00000
    114      -0.8049      0.00000
    115      -0.2706      0.00000
    116       0.2005      0.00000
    117       0.2352      0.00000
    118       0.3513      0.00000
    119       0.6553      0.00000
    120       0.8868      0.00000
    121       0.9164      0.00000
    122       1.0119      0.00000
    123       1.1305      0.00000
    124       1.4718      0.00000
    125       1.5033      0.00000
    126       1.6714      0.00000
    127       1.7689      0.00000
    128       1.8163      0.00000
    129       1.9096      0.00000
    130       1.9445      0.00000
    131       2.1540      0.00000
    132       2.2018      0.00000
    133       2.3600      0.00000
    134       2.4507      0.00000
    135       2.5162      0.00000
    136       2.5917      0.00000
    137       2.6145      0.00000
    138       2.6566      0.00000
    139       2.7172      0.00000
    140       2.7983      0.00000
    141       2.9896      0.00000
    142       3.0327      0.00000
    143       3.1493      0.00000
    144       3.2089      0.00000
    145       3.2224      0.00000
    146       3.2607      0.00000
    147       3.3101      0.00000
    148       3.3949      0.00000
    149       3.4652      0.00000
    150       3.6515      0.00000
    151       3.6741      0.00000
    152       3.7096      0.00000
    153       3.7844      0.00000
    154       3.8524      0.00000
    155       3.8814      0.00000
    156       3.9431      0.00000
    157       3.9846      0.00000
    158       4.0217      0.00000
    159       4.0229      0.00000
    160       4.0567      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.4032      1.00000
      2     -21.8440      1.00000
      3     -21.6555      1.00000
      4     -21.6206      1.00000
      5     -21.2917      1.00000
      6     -21.2460      1.00000
      7     -21.0711      1.00000
      8     -20.1841      1.00000
      9     -20.1391      1.00000
     10     -19.6284      1.00000
     11     -19.6030      1.00000
     12     -19.4292      1.00000
     13     -19.1071      1.00000
     14     -19.0674      1.00000
     15     -19.0655      1.00000
     16     -19.0503      1.00000
     17     -18.3780      1.00000
     18     -18.3589      1.00000
     19     -18.0294      1.00000
     20     -17.0822      1.00000
     21     -17.0356      1.00000
     22     -16.9601      1.00000
     23     -16.9468      1.00000
     24     -16.4828      1.00000
     25     -16.4722      1.00000
     26     -15.6206      1.00000
     27     -15.6194      1.00000
     28     -15.2607      1.00000
     29     -15.2487      1.00000
     30     -15.2029      1.00000
     31     -15.1160      1.00000
     32     -15.0791      1.00000
     33     -14.7080      1.00000
     34     -14.7070      1.00000
     35     -13.7342      1.00000
     36     -13.7341      1.00000
     37     -13.2471      1.00000
     38     -12.6348      1.00000
     39     -12.5878      1.00000
     40     -12.4675      1.00000
     41     -12.4622      1.00000
     42     -12.1136      1.00000
     43     -12.1083      1.00000
     44     -11.7290      1.00000
     45     -11.6916      1.00000
     46     -11.2543      1.00000
     47     -11.2304      1.00000
     48     -11.0290      1.00000
     49     -11.0179      1.00000
     50     -10.9365      1.00000
     51     -10.9087      1.00000
     52     -10.6439      1.00000
     53     -10.1838      1.00000
     54     -10.1607      1.00000
     55     -10.0948      1.00000
     56     -10.0006      1.00000
     57      -9.7054      1.00000
     58      -9.6996      1.00000
     59      -9.6831      1.00000
     60      -9.5991      1.00000
     61      -9.5761      1.00000
     62      -9.5620      1.00000
     63      -9.3232      1.00000
     64      -9.3113      1.00000
     65      -9.2922      1.00000
     66      -9.2483      1.00000
     67      -9.1335      1.00000
     68      -9.1228      1.00000
     69      -9.1226      1.00000
     70      -8.9512      1.00000
     71      -8.8808      1.00000
     72      -8.6082      1.00000
     73      -8.5942      1.00000
     74      -8.2797      1.00000
     75      -8.1108      1.00000
     76      -7.8727      1.00000
     77      -7.8541      1.00000
     78      -7.7992      1.00000
     79      -7.7736      1.00000
     80      -7.7630      1.00000
     81      -7.4410      1.00000
     82      -7.3460      1.00000
     83      -7.3299      1.00000
     84      -7.2744      1.00000
     85      -7.1741      1.00000
     86      -7.0188      1.00000
     87      -6.9927      1.00000
     88      -6.7261      1.00000
     89      -6.7004      1.00000
     90      -6.6410      1.00000
     91      -6.5960      1.00000
     92      -6.1271      1.00000
     93      -6.0659      1.00000
     94      -6.0520      1.00000
     95      -6.0323      1.00000
     96      -5.7564      1.00000
     97      -4.9738      1.00000
     98      -4.8448      1.00000
     99      -4.7158      1.00000
    100      -4.6824      1.00000
    101      -4.4828      1.00000
    102      -4.3518      1.00000
    103      -4.1169      1.00000
    104      -4.0605      1.00000
    105      -3.7553      1.00000
    106      -3.4654      1.00000
    107      -1.9566      0.00000
    108      -1.7765      0.00000
    109      -1.4874      0.00000
    110      -1.3599      0.00000
    111      -1.3437      0.00000
    112      -1.2964      0.00000
    113      -0.6872      0.00000
    114      -0.4783      0.00000
    115      -0.2388      0.00000
    116       0.0427      0.00000
    117       0.5478      0.00000
    118       0.6899      0.00000
    119       0.7634      0.00000
    120       1.0096      0.00000
    121       1.0932      0.00000
    122       1.1559      0.00000
    123       1.2324      0.00000
    124       1.3102      0.00000
    125       1.3873      0.00000
    126       1.5367      0.00000
    127       1.7339      0.00000
    128       1.8166      0.00000
    129       1.8557      0.00000
    130       1.8733      0.00000
    131       2.0149      0.00000
    132       2.1691      0.00000
    133       2.1744      0.00000
    134       2.2252      0.00000
    135       2.4360      0.00000
    136       2.5604      0.00000
    137       2.6221      0.00000
    138       2.6812      0.00000
    139       2.7507      0.00000
    140       2.8304      0.00000
    141       2.8332      0.00000
    142       2.8572      0.00000
    143       2.9214      0.00000
    144       3.0091      0.00000
    145       3.2468      0.00000
    146       3.3267      0.00000
    147       3.3692      0.00000
    148       3.3945      0.00000
    149       3.3949      0.00000
    150       3.5538      0.00000
    151       3.6240      0.00000
    152       3.6333      0.00000
    153       3.6894      0.00000
    154       3.8590      0.00000
    155       3.8610      0.00000
    156       3.9102      0.00000
    157       4.0481      0.00000
    158       4.1474      0.00000
    159       4.2081      0.00000
    160       4.2442      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2214      1.00000
      2     -22.1344      1.00000
      3     -21.9712      1.00000
      4     -21.4182      1.00000
      5     -21.0598      1.00000
      6     -21.0312      1.00000
      7     -20.5088      1.00000
      8     -20.4790      1.00000
      9     -20.3010      1.00000
     10     -20.2978      1.00000
     11     -19.9679      1.00000
     12     -19.9071      1.00000
     13     -18.8935      1.00000
     14     -18.8283      1.00000
     15     -18.3505      1.00000
     16     -18.3302      1.00000
     17     -18.1614      1.00000
     18     -18.1531      1.00000
     19     -17.8285      1.00000
     20     -17.8089      1.00000
     21     -17.2680      1.00000
     22     -17.2481      1.00000
     23     -17.1719      1.00000
     24     -17.1454      1.00000
     25     -16.1303      1.00000
     26     -15.8920      1.00000
     27     -15.8805      1.00000
     28     -15.8482      1.00000
     29     -15.2412      1.00000
     30     -14.5603      1.00000
     31     -14.5413      1.00000
     32     -14.2851      1.00000
     33     -13.9865      1.00000
     34     -13.9636      1.00000
     35     -13.8321      1.00000
     36     -13.8132      1.00000
     37     -13.6139      1.00000
     38     -13.5875      1.00000
     39     -13.3845      1.00000
     40     -12.6517      1.00000
     41     -12.1774      1.00000
     42     -12.1505      1.00000
     43     -12.0774      1.00000
     44     -12.0322      1.00000
     45     -11.6762      1.00000
     46     -11.6711      1.00000
     47     -11.1439      1.00000
     48     -11.1325      1.00000
     49     -10.7968      1.00000
     50     -10.7423      1.00000
     51     -10.5404      1.00000
     52     -10.2192      1.00000
     53     -10.2131      1.00000
     54     -10.1831      1.00000
     55     -10.0338      1.00000
     56     -10.0058      1.00000
     57     -10.0019      1.00000
     58      -9.8176      1.00000
     59      -9.8067      1.00000
     60      -9.7718      1.00000
     61      -9.7640      1.00000
     62      -9.4601      1.00000
     63      -9.4267      1.00000
     64      -9.0946      1.00000
     65      -9.0570      1.00000
     66      -9.0358      1.00000
     67      -8.9763      1.00000
     68      -8.9059      1.00000
     69      -8.7188      1.00000
     70      -8.7092      1.00000
     71      -8.5661      1.00000
     72      -8.5548      1.00000
     73      -8.4883      1.00000
     74      -8.4679      1.00000
     75      -8.4655      1.00000
     76      -8.3144      1.00000
     77      -8.1037      1.00000
     78      -8.1023      1.00000
     79      -7.9371      1.00000
     80      -7.8407      1.00000
     81      -7.6104      1.00000
     82      -7.5413      1.00000
     83      -7.4586      1.00000
     84      -7.2997      1.00000
     85      -7.0008      1.00000
     86      -6.9284      1.00000
     87      -6.8927      1.00000
     88      -6.5327      1.00000
     89      -6.5220      1.00000
     90      -6.4850      1.00000
     91      -6.4293      1.00000
     92      -5.9330      1.00000
     93      -5.9125      1.00000
     94      -5.7978      1.00000
     95      -5.7823      1.00000
     96      -5.3754      1.00000
     97      -5.3674      1.00000
     98      -5.2286      1.00000
     99      -5.2242      1.00000
    100      -5.2060      1.00000
    101      -4.7237      1.00000
    102      -4.4388      1.00000
    103      -4.1929      1.00000
    104      -3.8175      1.00000
    105      -3.5646      1.00000
    106      -3.2282      1.00000
    107      -2.5690      0.00000
    108      -1.4684      0.00000
    109      -1.2760      0.00000
    110      -1.1896      0.00000
    111      -1.1890      0.00000
    112      -0.6499      0.00000
    113      -0.5585      0.00000
    114      -0.4209      0.00000
    115      -0.3517      0.00000
    116      -0.0839      0.00000
    117      -0.0688      0.00000
    118       0.1177      0.00000
    119       0.5898      0.00000
    120       0.6190      0.00000
    121       0.8182      0.00000
    122       0.9457      0.00000
    123       0.9720      0.00000
    124       1.4606      0.00000
    125       1.6383      0.00000
    126       1.6876      0.00000
    127       1.7968      0.00000
    128       2.0498      0.00000
    129       2.1302      0.00000
    130       2.1625      0.00000
    131       2.2063      0.00000
    132       2.2494      0.00000
    133       2.3299      0.00000
    134       2.4571      0.00000
    135       2.4958      0.00000
    136       2.6116      0.00000
    137       2.8429      0.00000
    138       2.8480      0.00000
    139       2.9150      0.00000
    140       2.9576      0.00000
    141       2.9878      0.00000
    142       3.0953      0.00000
    143       3.1759      0.00000
    144       3.2063      0.00000
    145       3.2101      0.00000
    146       3.2565      0.00000
    147       3.2820      0.00000
    148       3.3240      0.00000
    149       3.3455      0.00000
    150       3.4881      0.00000
    151       3.5251      0.00000
    152       3.5987      0.00000
    153       3.6068      0.00000
    154       3.6839      0.00000
    155       3.6985      0.00000
    156       3.8617      0.00000
    157       3.9110      0.00000
    158       3.9771      0.00000
    159       4.0083      0.00000
    160       4.1158      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2963      1.00000
      2     -22.0930      1.00000
      3     -21.7340      1.00000
      4     -21.6953      1.00000
      5     -20.9957      1.00000
      6     -20.9491      1.00000
      7     -20.6238      1.00000
      8     -20.5936      1.00000
      9     -20.5795      1.00000
     10     -20.0461      1.00000
     11     -19.5243      1.00000
     12     -19.4954      1.00000
     13     -19.3235      1.00000
     14     -19.3108      1.00000
     15     -18.4615      1.00000
     16     -18.4195      1.00000
     17     -17.9384      1.00000
     18     -17.9189      1.00000
     19     -17.7773      1.00000
     20     -17.7334      1.00000
     21     -17.4522      1.00000
     22     -17.4345      1.00000
     23     -17.3502      1.00000
     24     -16.4793      1.00000
     25     -16.4699      1.00000
     26     -15.9835      1.00000
     27     -15.4210      1.00000
     28     -15.4203      1.00000
     29     -15.1059      1.00000
     30     -15.1026      1.00000
     31     -14.8630      1.00000
     32     -14.8511      1.00000
     33     -14.3102      1.00000
     34     -14.2641      1.00000
     35     -13.4558      1.00000
     36     -13.4094      1.00000
     37     -13.1841      1.00000
     38     -13.1825      1.00000
     39     -12.9991      1.00000
     40     -12.9902      1.00000
     41     -12.6196      1.00000
     42     -12.6173      1.00000
     43     -12.2082      1.00000
     44     -11.5870      1.00000
     45     -11.5471      1.00000
     46     -11.3216      1.00000
     47     -11.2922      1.00000
     48     -11.1528      1.00000
     49     -10.7004      1.00000
     50     -10.6682      1.00000
     51     -10.5538      1.00000
     52     -10.3330      1.00000
     53     -10.3263      1.00000
     54     -10.1874      1.00000
     55     -10.1262      1.00000
     56     -10.1163      1.00000
     57      -9.8228      1.00000
     58      -9.7636      1.00000
     59      -9.7618      1.00000
     60      -9.7135      1.00000
     61      -9.7094      1.00000
     62      -9.6578      1.00000
     63      -9.3629      1.00000
     64      -9.3623      1.00000
     65      -9.3234      1.00000
     66      -9.0368      1.00000
     67      -8.9705      1.00000
     68      -8.9691      1.00000
     69      -8.7864      1.00000
     70      -8.5970      1.00000
     71      -8.5948      1.00000
     72      -8.4338      1.00000
     73      -8.3597      1.00000
     74      -8.3286      1.00000
     75      -8.3144      1.00000
     76      -8.2716      1.00000
     77      -8.2611      1.00000
     78      -8.2440      1.00000
     79      -7.9341      1.00000
     80      -7.7427      1.00000
     81      -7.3894      1.00000
     82      -7.3570      1.00000
     83      -7.3131      1.00000
     84      -7.2258      1.00000
     85      -7.1680      1.00000
     86      -7.0759      1.00000
     87      -6.9696      1.00000
     88      -6.9151      1.00000
     89      -6.6172      1.00000
     90      -6.5662      1.00000
     91      -6.2745      1.00000
     92      -6.0024      1.00000
     93      -5.9685      1.00000
     94      -5.6819      1.00000
     95      -5.6555      1.00000
     96      -5.3916      1.00000
     97      -5.3227      1.00000
     98      -5.3012      1.00000
     99      -5.2201      1.00000
    100      -5.2088      1.00000
    101      -4.5071      1.00000
    102      -4.3375      1.00000
    103      -4.0008      1.00000
    104      -3.8907      1.00000
    105      -3.7930      1.00000
    106      -3.4442      1.00000
    107      -2.0406      0.00000
    108      -1.8690      0.00000
    109      -1.2232      0.00000
    110      -1.1924      0.00000
    111      -1.0401      0.00000
    112      -0.7768      0.00000
    113      -0.6873      0.00000
    114      -0.6628      0.00000
    115      -0.6139      0.00000
    116      -0.1121      0.00000
    117       0.2195      0.00000
    118       0.2303      0.00000
    119       0.7300      0.00000
    120       0.9480      0.00000
    121       1.0629      0.00000
    122       1.2288      0.00000
    123       1.2397      0.00000
    124       1.3068      0.00000
    125       1.5483      0.00000
    126       1.5810      0.00000
    127       1.6530      0.00000
    128       1.7511      0.00000
    129       1.8907      0.00000
    130       1.8951      0.00000
    131       2.0699      0.00000
    132       2.2836      0.00000
    133       2.3233      0.00000
    134       2.3715      0.00000
    135       2.4809      0.00000
    136       2.5890      0.00000
    137       2.7523      0.00000
    138       2.8016      0.00000
    139       2.8083      0.00000
    140       2.8334      0.00000
    141       3.0048      0.00000
    142       3.0547      0.00000
    143       3.0935      0.00000
    144       3.1655      0.00000
    145       3.3231      0.00000
    146       3.3834      0.00000
    147       3.4561      0.00000
    148       3.4931      0.00000
    149       3.5563      0.00000
    150       3.5823      0.00000
    151       3.6028      0.00000
    152       3.6975      0.00000
    153       3.7068      0.00000
    154       3.7372      0.00000
    155       3.8000      0.00000
    156       3.8314      0.00000
    157       3.9582      0.00000
    158       4.0462      0.00000
    159       4.1209      0.00000
    160       4.1441      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4401      1.00000
      2     -21.6141      1.00000
      3     -21.4942      1.00000
      4     -21.4854      1.00000
      5     -21.4562      1.00000
      6     -21.4554      1.00000
      7     -21.4455      1.00000
      8     -19.7190      1.00000
      9     -19.6649      1.00000
     10     -19.6419      1.00000
     11     -19.6316      1.00000
     12     -19.6257      1.00000
     13     -19.6254      1.00000
     14     -18.8016      1.00000
     15     -18.7680      1.00000
     16     -18.7462      1.00000
     17     -18.7380      1.00000
     18     -18.7304      1.00000
     19     -18.7244      1.00000
     20     -16.6415      1.00000
     21     -16.6178      1.00000
     22     -16.5964      1.00000
     23     -16.5901      1.00000
     24     -16.5655      1.00000
     25     -16.5631      1.00000
     26     -15.6291      1.00000
     27     -15.6144      1.00000
     28     -15.6094      1.00000
     29     -15.5759      1.00000
     30     -15.5736      1.00000
     31     -15.5725      1.00000
     32     -14.2707      1.00000
     33     -14.2608      1.00000
     34     -14.2499      1.00000
     35     -14.2453      1.00000
     36     -14.2327      1.00000
     37     -14.2312      1.00000
     38     -11.9164      1.00000
     39     -11.8882      1.00000
     40     -11.8757      1.00000
     41     -11.8710      1.00000
     42     -11.8521      1.00000
     43     -11.8515      1.00000
     44     -11.7814      1.00000
     45     -11.7769      1.00000
     46     -11.7483      1.00000
     47     -11.7408      1.00000
     48     -11.7353      1.00000
     49     -11.7338      1.00000
     50     -10.6838      1.00000
     51     -10.3990      1.00000
     52     -10.3939      1.00000
     53     -10.3851      1.00000
     54     -10.3801      1.00000
     55     -10.3660      1.00000
     56     -10.3636      1.00000
     57      -9.9113      1.00000
     58      -9.4590      1.00000
     59      -9.4159      1.00000
     60      -9.3750      1.00000
     61      -9.3745      1.00000
     62      -9.3668      1.00000
     63      -9.1526      1.00000
     64      -9.1291      1.00000
     65      -9.1268      1.00000
     66      -9.0931      1.00000
     67      -9.0835      1.00000
     68      -9.0832      1.00000
     69      -9.0772      1.00000
     70      -9.0742      1.00000
     71      -9.0683      1.00000
     72      -9.0423      1.00000
     73      -9.0371      1.00000
     74      -9.0359      1.00000
     75      -8.1433      1.00000
     76      -7.7340      1.00000
     77      -7.4777      1.00000
     78      -7.4764      1.00000
     79      -7.4597      1.00000
     80      -7.4401      1.00000
     81      -7.4364      1.00000
     82      -7.4116      1.00000
     83      -7.3203      1.00000
     84      -7.2803      1.00000
     85      -7.2664      1.00000
     86      -7.2585      1.00000
     87      -7.1641      1.00000
     88      -7.0487      1.00000
     89      -6.4549      1.00000
     90      -6.4229      1.00000
     91      -6.4091      1.00000
     92      -6.3726      1.00000
     93      -6.3615      1.00000
     94      -6.3475      1.00000
     95      -5.9674      1.00000
     96      -5.9614      1.00000
     97      -4.8004      1.00000
     98      -4.5475      1.00000
     99      -4.4865      1.00000
    100      -4.4776      1.00000
    101      -4.3909      1.00000
    102      -4.3895      1.00000
    103      -4.2704      1.00000
    104      -4.1906      1.00000
    105      -3.7397      1.00000
    106      -3.4770      1.00000
    107      -1.8679      0.00000
    108      -1.6823      0.00000
    109      -1.6278      0.00000
    110      -1.5963      0.00000
    111      -1.5807      0.00000
    112      -1.5797      0.00000
    113      -0.4374      0.00000
    114       0.1366      0.00000
    115       0.1885      0.00000
    116       0.2534      0.00000
    117       0.2612      0.00000
    118       0.2668      0.00000
    119       0.4694      0.00000
    120       0.5074      0.00000
    121       1.2043      0.00000
    122       1.2730      0.00000
    123       1.4682      0.00000
    124       1.7348      0.00000
    125       1.7357      0.00000
    126       1.7374      0.00000
    127       1.7866      0.00000
    128       1.8121      0.00000
    129       1.9541      0.00000
    130       1.9571      0.00000
    131       1.9723      0.00000
    132       1.9866      0.00000
    133       1.9955      0.00000
    134       2.0431      0.00000
    135       2.1907      0.00000
    136       2.3084      0.00000
    137       2.5323      0.00000
    138       2.5362      0.00000
    139       2.5525      0.00000
    140       2.6515      0.00000
    141       2.8910      0.00000
    142       3.0213      0.00000
    143       3.0487      0.00000
    144       3.0527      0.00000
    145       3.0827      0.00000
    146       3.0853      0.00000
    147       3.0895      0.00000
    148       3.2205      0.00000
    149       3.4077      0.00000
    150       3.4617      0.00000
    151       3.7900      0.00000
    152       3.9094      0.00000
    153       3.9128      0.00000
    154       3.9160      0.00000
    155       3.9301      0.00000
    156       3.9666      0.00000
    157       4.1371      0.00000
    158       4.2206      0.00000
    159       4.2325      0.00000
    160       4.2519      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4033      1.00000
      2     -21.8436      1.00000
      3     -21.6527      1.00000
      4     -21.6245      1.00000
      5     -21.2879      1.00000
      6     -21.2494      1.00000
      7     -21.0710      1.00000
      8     -20.1802      1.00000
      9     -20.1426      1.00000
     10     -19.6214      1.00000
     11     -19.6105      1.00000
     12     -19.4298      1.00000
     13     -19.1009      1.00000
     14     -19.0737      1.00000
     15     -19.0615      1.00000
     16     -19.0533      1.00000
     17     -18.3727      1.00000
     18     -18.3644      1.00000
     19     -18.0299      1.00000
     20     -17.0782      1.00000
     21     -17.0402      1.00000
     22     -16.9537      1.00000
     23     -16.9519      1.00000
     24     -16.4777      1.00000
     25     -16.4747      1.00000
     26     -15.6269      1.00000
     27     -15.6192      1.00000
     28     -15.2635      1.00000
     29     -15.2531      1.00000
     30     -15.1950      1.00000
     31     -15.1087      1.00000
     32     -15.0813      1.00000
     33     -14.7105      1.00000
     34     -14.7070      1.00000
     35     -13.7377      1.00000
     36     -13.7336      1.00000
     37     -13.2445      1.00000
     38     -12.6226      1.00000
     39     -12.5920      1.00000
     40     -12.4656      1.00000
     41     -12.4612      1.00000
     42     -12.1183      1.00000
     43     -12.1133      1.00000
     44     -11.7288      1.00000
     45     -11.6985      1.00000
     46     -11.2444      1.00000
     47     -11.2335      1.00000
     48     -11.0276      1.00000
     49     -11.0189      1.00000
     50     -10.9377      1.00000
     51     -10.9166      1.00000
     52     -10.6379      1.00000
     53     -10.1632      1.00000
     54     -10.1611      1.00000
     55     -10.0998      1.00000
     56     -10.0071      1.00000
     57      -9.7141      1.00000
     58      -9.7028      1.00000
     59      -9.6675      1.00000
     60      -9.6012      1.00000
     61      -9.5864      1.00000
     62      -9.5676      1.00000
     63      -9.3160      1.00000
     64      -9.3106      1.00000
     65      -9.2841      1.00000
     66      -9.2470      1.00000
     67      -9.1475      1.00000
     68      -9.1227      1.00000
     69      -9.1206      1.00000
     70      -8.9513      1.00000
     71      -8.8830      1.00000
     72      -8.6121      1.00000
     73      -8.5991      1.00000
     74      -8.2470      1.00000
     75      -8.1065      1.00000
     76      -7.9175      1.00000
     77      -7.8732      1.00000
     78      -7.7791      1.00000
     79      -7.7639      1.00000
     80      -7.7029      1.00000
     81      -7.5574      1.00000
     82      -7.3461      1.00000
     83      -7.3289      1.00000
     84      -7.2147      1.00000
     85      -7.1287      1.00000
     86      -7.0399      1.00000
     87      -7.0207      1.00000
     88      -6.7130      1.00000
     89      -6.6872      1.00000
     90      -6.6491      1.00000
     91      -6.6044      1.00000
     92      -6.1208      1.00000
     93      -6.0704      1.00000
     94      -6.0388      1.00000
     95      -6.0194      1.00000
     96      -5.7901      1.00000
     97      -4.9736      1.00000
     98      -4.8383      1.00000
     99      -4.7533      1.00000
    100      -4.6862      1.00000
    101      -4.4669      1.00000
    102      -4.2052      1.00000
    103      -4.1771      1.00000
    104      -4.1336      1.00000
    105      -3.7306      1.00000
    106      -3.4870      1.00000
    107      -1.8759      0.00000
    108      -1.8171      0.00000
    109      -1.5295      0.00000
    110      -1.3843      0.00000
    111      -1.3266      0.00000
    112      -1.2927      0.00000
    113      -0.7250      0.00000
    114      -0.3823      0.00000
    115      -0.2570      0.00000
    116       0.0285      0.00000
    117       0.5207      0.00000
    118       0.6860      0.00000
    119       0.7408      0.00000
    120       1.0341      0.00000
    121       1.0964      0.00000
    122       1.1305      0.00000
    123       1.2165      0.00000
    124       1.3423      0.00000
    125       1.4808      0.00000
    126       1.5277      0.00000
    127       1.6804      0.00000
    128       1.7874      0.00000
    129       1.8501      0.00000
    130       1.8724      0.00000
    131       2.0587      0.00000
    132       2.1336      0.00000
    133       2.1979      0.00000
    134       2.2483      0.00000
    135       2.4602      0.00000
    136       2.5253      0.00000
    137       2.6202      0.00000
    138       2.7361      0.00000
    139       2.7700      0.00000
    140       2.8182      0.00000
    141       2.8426      0.00000
    142       2.8591      0.00000
    143       2.9155      0.00000
    144       3.0079      0.00000
    145       3.1047      0.00000
    146       3.2507      0.00000
    147       3.3642      0.00000
    148       3.4118      0.00000
    149       3.4282      0.00000
    150       3.5745      0.00000
    151       3.6126      0.00000
    152       3.6370      0.00000
    153       3.6786      0.00000
    154       3.8545      0.00000
    155       3.9029      0.00000
    156       3.9649      0.00000
    157       4.0097      0.00000
    158       4.1848      0.00000
    159       4.2138      0.00000
    160       4.2197      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2967      1.00000
      2     -22.0923      1.00000
      3     -21.7309      1.00000
      4     -21.6991      1.00000
      5     -20.9924      1.00000
      6     -20.9527      1.00000
      7     -20.6248      1.00000
      8     -20.5885      1.00000
      9     -20.5826      1.00000
     10     -20.0456      1.00000
     11     -19.5161      1.00000
     12     -19.5043      1.00000
     13     -19.3200      1.00000
     14     -19.3148      1.00000
     15     -18.4589      1.00000
     16     -18.4226      1.00000
     17     -17.9337      1.00000
     18     -17.9249      1.00000
     19     -17.7718      1.00000
     20     -17.7368      1.00000
     21     -17.4467      1.00000
     22     -17.4402      1.00000
     23     -17.3505      1.00000
     24     -16.4738      1.00000
     25     -16.4727      1.00000
     26     -15.9787      1.00000
     27     -15.4267      1.00000
     28     -15.4203      1.00000
     29     -15.1090      1.00000
     30     -15.1041      1.00000
     31     -14.8644      1.00000
     32     -14.8558      1.00000
     33     -14.2998      1.00000
     34     -14.2667      1.00000
     35     -13.4454      1.00000
     36     -13.4126      1.00000
     37     -13.1879      1.00000
     38     -13.1834      1.00000
     39     -12.9942      1.00000
     40     -12.9890      1.00000
     41     -12.6229      1.00000
     42     -12.6190      1.00000
     43     -12.2057      1.00000
     44     -11.5878      1.00000
     45     -11.5547      1.00000
     46     -11.3224      1.00000
     47     -11.2999      1.00000
     48     -11.1495      1.00000
     49     -10.6841      1.00000
     50     -10.6687      1.00000
     51     -10.5594      1.00000
     52     -10.3312      1.00000
     53     -10.3274      1.00000
     54     -10.1825      1.00000
     55     -10.1234      1.00000
     56     -10.1213      1.00000
     57      -9.8097      1.00000
     58      -9.7715      1.00000
     59      -9.7627      1.00000
     60      -9.7112      1.00000
     61      -9.7032      1.00000
     62      -9.6729      1.00000
     63      -9.3624      1.00000
     64      -9.3603      1.00000
     65      -9.3265      1.00000
     66      -9.0510      1.00000
     67      -8.9689      1.00000
     68      -8.9586      1.00000
     69      -8.8094      1.00000
     70      -8.6047      1.00000
     71      -8.5688      1.00000
     72      -8.4071      1.00000
     73      -8.3754      1.00000
     74      -8.3323      1.00000
     75      -8.3138      1.00000
     76      -8.2683      1.00000
     77      -8.2641      1.00000
     78      -8.2461      1.00000
     79      -7.9170      1.00000
     80      -7.6572      1.00000
     81      -7.5453      1.00000
     82      -7.3939      1.00000
     83      -7.3555      1.00000
     84      -7.2361      1.00000
     85      -7.1069      1.00000
     86      -7.0463      1.00000
     87      -6.9436      1.00000
     88      -6.8517      1.00000
     89      -6.6208      1.00000
     90      -6.5636      1.00000
     91      -6.2780      1.00000
     92      -6.0497      1.00000
     93      -5.9594      1.00000
     94      -5.6696      1.00000
     95      -5.6310      1.00000
     96      -5.4661      1.00000
     97      -5.3260      1.00000
     98      -5.2866      1.00000
     99      -5.2215      1.00000
    100      -5.2022      1.00000
    101      -4.5031      1.00000
    102      -4.2089      1.00000
    103      -4.0613      1.00000
    104      -3.9954      1.00000
    105      -3.6969      1.00000
    106      -3.4971      1.00000
    107      -1.9513      0.00000
    108      -1.9043      0.00000
    109      -1.3433      0.00000
    110      -1.0912      0.00000
    111      -1.0649      0.00000
    112      -0.8047      0.00000
    113      -0.6862      0.00000
    114      -0.6514      0.00000
    115      -0.6112      0.00000
    116      -0.1165      0.00000
    117       0.2117      0.00000
    118       0.3225      0.00000
    119       0.6585      0.00000
    120       0.8543      0.00000
    121       1.1110      0.00000
    122       1.1928      0.00000
    123       1.2929      0.00000
    124       1.3812      0.00000
    125       1.5329      0.00000
    126       1.5668      0.00000
    127       1.6327      0.00000
    128       1.7723      0.00000
    129       1.8240      0.00000
    130       2.0028      0.00000
    131       2.1036      0.00000
    132       2.3110      0.00000
    133       2.3449      0.00000
    134       2.3481      0.00000
    135       2.4852      0.00000
    136       2.5909      0.00000
    137       2.6865      0.00000
    138       2.7412      0.00000
    139       2.8078      0.00000
    140       2.8459      0.00000
    141       3.0070      0.00000
    142       3.0154      0.00000
    143       3.1055      0.00000
    144       3.2132      0.00000
    145       3.3099      0.00000
    146       3.3664      0.00000
    147       3.3856      0.00000
    148       3.5363      0.00000
    149       3.5437      0.00000
    150       3.5621      0.00000
    151       3.6218      0.00000
    152       3.6493      0.00000
    153       3.7364      0.00000
    154       3.7559      0.00000
    155       3.7866      0.00000
    156       3.8470      0.00000
    157       3.8705      0.00000
    158       3.9324      0.00000
    159       4.1542      0.00000
    160       4.1849      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3309      1.00000
      2     -21.9759      1.00000
      3     -21.9089      1.00000
      4     -21.3951      1.00000
      5     -21.3656      1.00000
      6     -20.8518      1.00000
      7     -20.7888      1.00000
      8     -20.6371      1.00000
      9     -20.0910      1.00000
     10     -20.0852      1.00000
     11     -19.7301      1.00000
     12     -19.7048      1.00000
     13     -19.0088      1.00000
     14     -19.0028      1.00000
     15     -18.6543      1.00000
     16     -18.6377      1.00000
     17     -18.4729      1.00000
     18     -17.6845      1.00000
     19     -17.6346      1.00000
     20     -17.6322      1.00000
     21     -17.5918      1.00000
     22     -17.1383      1.00000
     23     -17.1158      1.00000
     24     -16.9737      1.00000
     25     -16.0126      1.00000
     26     -15.9430      1.00000
     27     -15.5969      1.00000
     28     -15.5964      1.00000
     29     -15.2968      1.00000
     30     -14.8754      1.00000
     31     -14.8473      1.00000
     32     -14.5868      1.00000
     33     -14.5465      1.00000
     34     -14.1796      1.00000
     35     -14.1681      1.00000
     36     -13.1572      1.00000
     37     -13.1107      1.00000
     38     -13.0391      1.00000
     39     -13.0269      1.00000
     40     -12.7173      1.00000
     41     -12.7130      1.00000
     42     -12.3530      1.00000
     43     -12.3236      1.00000
     44     -11.6479      1.00000
     45     -11.6327      1.00000
     46     -11.5833      1.00000
     47     -10.9599      1.00000
     48     -10.9285      1.00000
     49     -10.6387      1.00000
     50     -10.6322      1.00000
     51     -10.5542      1.00000
     52     -10.5112      1.00000
     53     -10.5105      1.00000
     54     -10.4472      1.00000
     55     -10.3670      1.00000
     56     -10.1103      1.00000
     57      -9.9160      1.00000
     58      -9.6142      1.00000
     59      -9.5629      1.00000
     60      -9.4643      1.00000
     61      -9.4222      1.00000
     62      -9.4146      1.00000
     63      -9.3849      1.00000
     64      -9.3840      1.00000
     65      -9.2971      1.00000
     66      -9.1800      1.00000
     67      -9.1530      1.00000
     68      -9.1234      1.00000
     69      -8.8754      1.00000
     70      -8.8676      1.00000
     71      -8.8248      1.00000
     72      -8.6081      1.00000
     73      -8.4901      1.00000
     74      -8.2085      1.00000
     75      -8.1739      1.00000
     76      -8.0206      1.00000
     77      -7.9640      1.00000
     78      -7.8569      1.00000
     79      -7.8458      1.00000
     80      -7.7128      1.00000
     81      -7.7022      1.00000
     82      -7.6332      1.00000
     83      -7.4516      1.00000
     84      -7.3131      1.00000
     85      -7.2490      1.00000
     86      -6.9136      1.00000
     87      -6.9016      1.00000
     88      -6.5977      1.00000
     89      -6.5580      1.00000
     90      -6.4098      1.00000
     91      -6.2622      1.00000
     92      -6.2409      1.00000
     93      -6.2151      1.00000
     94      -6.0297      1.00000
     95      -5.5561      1.00000
     96      -5.4944      1.00000
     97      -5.3548      1.00000
     98      -5.2277      1.00000
     99      -4.9869      1.00000
    100      -4.7343      1.00000
    101      -4.6845      1.00000
    102      -4.3875      1.00000
    103      -4.2042      1.00000
    104      -3.8695      1.00000
    105      -3.5529      1.00000
    106      -3.5084      1.00000
    107      -2.2635      0.00000
    108      -1.4624      0.00000
    109      -1.3789      0.00000
    110      -1.2474      0.00000
    111      -1.1019      0.00000
    112      -0.9501      0.00000
    113      -0.8688      0.00000
    114      -0.8074      0.00000
    115      -0.1491      0.00000
    116       0.1030      0.00000
    117       0.2343      0.00000
    118       0.3729      0.00000
    119       0.6142      0.00000
    120       0.8248      0.00000
    121       0.9325      0.00000
    122       1.0369      0.00000
    123       1.1940      0.00000
    124       1.4113      0.00000
    125       1.4916      0.00000
    126       1.7626      0.00000
    127       1.7765      0.00000
    128       1.8376      0.00000
    129       1.9041      0.00000
    130       2.0098      0.00000
    131       2.1198      0.00000
    132       2.1622      0.00000
    133       2.3629      0.00000
    134       2.4442      0.00000
    135       2.5185      0.00000
    136       2.5996      0.00000
    137       2.6294      0.00000
    138       2.6550      0.00000
    139       2.7357      0.00000
    140       2.7740      0.00000
    141       2.8940      0.00000
    142       3.0343      0.00000
    143       3.1439      0.00000
    144       3.1877      0.00000
    145       3.2178      0.00000
    146       3.2848      0.00000
    147       3.2851      0.00000
    148       3.4153      0.00000
    149       3.4385      0.00000
    150       3.6459      0.00000
    151       3.6599      0.00000
    152       3.7034      0.00000
    153       3.8210      0.00000
    154       3.8643      0.00000
    155       3.8946      0.00000
    156       3.9624      0.00000
    157       3.9863      0.00000
    158       4.0019      0.00000
    159       4.0269      0.00000
    160       4.0369      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2222      1.00000
      2     -22.1331      1.00000
      3     -21.9716      1.00000
      4     -21.4185      1.00000
      5     -21.0632      1.00000
      6     -21.0275      1.00000
      7     -20.5137      1.00000
      8     -20.4744      1.00000
      9     -20.3083      1.00000
     10     -20.2891      1.00000
     11     -19.9698      1.00000
     12     -19.9063      1.00000
     13     -18.8941      1.00000
     14     -18.8276      1.00000
     15     -18.3637      1.00000
     16     -18.3181      1.00000
     17     -18.1650      1.00000
     18     -18.1482      1.00000
     19     -17.8373      1.00000
     20     -17.8007      1.00000
     21     -17.2618      1.00000
     22     -17.2533      1.00000
     23     -17.1739      1.00000
     24     -17.1449      1.00000
     25     -16.1224      1.00000
     26     -15.8988      1.00000
     27     -15.8827      1.00000
     28     -15.8442      1.00000
     29     -15.2452      1.00000
     30     -14.5670      1.00000
     31     -14.5383      1.00000
     32     -14.2888      1.00000
     33     -13.9727      1.00000
     34     -13.9662      1.00000
     35     -13.8290      1.00000
     36     -13.8140      1.00000
     37     -13.6241      1.00000
     38     -13.5813      1.00000
     39     -13.3836      1.00000
     40     -12.6465      1.00000
     41     -12.1901      1.00000
     42     -12.1433      1.00000
     43     -12.0831      1.00000
     44     -12.0334      1.00000
     45     -11.6771      1.00000
     46     -11.6644      1.00000
     47     -11.1483      1.00000
     48     -11.1277      1.00000
     49     -10.8048      1.00000
     50     -10.7441      1.00000
     51     -10.5334      1.00000
     52     -10.2166      1.00000
     53     -10.2150      1.00000
     54     -10.1776      1.00000
     55     -10.0275      1.00000
     56     -10.0154      1.00000
     57     -10.0010      1.00000
     58      -9.8120      1.00000
     59      -9.8044      1.00000
     60      -9.7710      1.00000
     61      -9.7651      1.00000
     62      -9.4657      1.00000
     63      -9.4275      1.00000
     64      -9.0894      1.00000
     65      -9.0805      1.00000
     66      -9.0502      1.00000
     67      -8.9637      1.00000
     68      -8.8873      1.00000
     69      -8.7206      1.00000
     70      -8.7077      1.00000
     71      -8.5768      1.00000
     72      -8.5530      1.00000
     73      -8.5088      1.00000
     74      -8.4698      1.00000
     75      -8.4636      1.00000
     76      -8.2684      1.00000
     77      -8.1357      1.00000
     78      -8.0530      1.00000
     79      -7.9232      1.00000
     80      -7.8699      1.00000
     81      -7.6256      1.00000
     82      -7.5563      1.00000
     83      -7.5002      1.00000
     84      -7.2608      1.00000
     85      -7.0018      1.00000
     86      -6.9281      1.00000
     87      -6.8879      1.00000
     88      -6.5397      1.00000
     89      -6.4966      1.00000
     90      -6.4674      1.00000
     91      -6.4198      1.00000
     92      -5.9895      1.00000
     93      -5.9042      1.00000
     94      -5.7922      1.00000
     95      -5.7684      1.00000
     96      -5.4355      1.00000
     97      -5.3355      1.00000
     98      -5.2384      1.00000
     99      -5.2248      1.00000
    100      -5.1966      1.00000
    101      -4.6959      1.00000
    102      -4.4198      1.00000
    103      -4.2105      1.00000
    104      -3.8314      1.00000
    105      -3.5276      1.00000
    106      -3.2813      1.00000
    107      -2.5380      0.00000
    108      -1.4633      0.00000
    109      -1.2733      0.00000
    110      -1.2095      0.00000
    111      -1.1781      0.00000
    112      -0.7252      0.00000
    113      -0.5089      0.00000
    114      -0.4184      0.00000
    115      -0.3446      0.00000
    116      -0.1514      0.00000
    117      -0.0063      0.00000
    118       0.1859      0.00000
    119       0.5516      0.00000
    120       0.6075      0.00000
    121       0.7642      0.00000
    122       0.8702      0.00000
    123       1.0930      0.00000
    124       1.4419      0.00000
    125       1.5927      0.00000
    126       1.7773      0.00000
    127       1.8788      0.00000
    128       2.0519      0.00000
    129       2.0732      0.00000
    130       2.1364      0.00000
    131       2.1783      0.00000
    132       2.2749      0.00000
    133       2.3183      0.00000
    134       2.4479      0.00000
    135       2.5520      0.00000
    136       2.6136      0.00000
    137       2.8064      0.00000
    138       2.8650      0.00000
    139       2.8774      0.00000
    140       2.9713      0.00000
    141       2.9797      0.00000
    142       3.0967      0.00000
    143       3.1590      0.00000
    144       3.1997      0.00000
    145       3.2409      0.00000
    146       3.2490      0.00000
    147       3.2847      0.00000
    148       3.3186      0.00000
    149       3.3604      0.00000
    150       3.3909      0.00000
    151       3.4821      0.00000
    152       3.5739      0.00000
    153       3.6892      0.00000
    154       3.6987      0.00000
    155       3.7201      0.00000
    156       3.8591      0.00000
    157       3.8901      0.00000
    158       3.9532      0.00000
    159       4.0603      0.00000
    160       4.1568      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3308      1.00000
      2     -21.9774      1.00000
      3     -21.9076      1.00000
      4     -21.3983      1.00000
      5     -21.3619      1.00000
      6     -20.8521      1.00000
      7     -20.7880      1.00000
      8     -20.6385      1.00000
      9     -20.1020      1.00000
     10     -20.0738      1.00000
     11     -19.7318      1.00000
     12     -19.7027      1.00000
     13     -19.0216      1.00000
     14     -18.9910      1.00000
     15     -18.6612      1.00000
     16     -18.6291      1.00000
     17     -18.4732      1.00000
     18     -17.6711      1.00000
     19     -17.6585      1.00000
     20     -17.6220      1.00000
     21     -17.5909      1.00000
     22     -17.1469      1.00000
     23     -17.1083      1.00000
     24     -16.9756      1.00000
     25     -16.0171      1.00000
     26     -15.9351      1.00000
     27     -15.6107      1.00000
     28     -15.5872      1.00000
     29     -15.2899      1.00000
     30     -14.8873      1.00000
     31     -14.8409      1.00000
     32     -14.5843      1.00000
     33     -14.5481      1.00000
     34     -14.1728      1.00000
     35     -14.1697      1.00000
     36     -13.1715      1.00000
     37     -13.1076      1.00000
     38     -13.0349      1.00000
     39     -13.0280      1.00000
     40     -12.7280      1.00000
     41     -12.7048      1.00000
     42     -12.3513      1.00000
     43     -12.3252      1.00000
     44     -11.6387      1.00000
     45     -11.6304      1.00000
     46     -11.5811      1.00000
     47     -10.9501      1.00000
     48     -10.9322      1.00000
     49     -10.6745      1.00000
     50     -10.6004      1.00000
     51     -10.5822      1.00000
     52     -10.5095      1.00000
     53     -10.4980      1.00000
     54     -10.4474      1.00000
     55     -10.3674      1.00000
     56     -10.1143      1.00000
     57      -9.9104      1.00000
     58      -9.6183      1.00000
     59      -9.5638      1.00000
     60      -9.4645      1.00000
     61      -9.4246      1.00000
     62      -9.4194      1.00000
     63      -9.3912      1.00000
     64      -9.3818      1.00000
     65      -9.2781      1.00000
     66      -9.1714      1.00000
     67      -9.1474      1.00000
     68      -9.1246      1.00000
     69      -8.8752      1.00000
     70      -8.8669      1.00000
     71      -8.8122      1.00000
     72      -8.6076      1.00000
     73      -8.5346      1.00000
     74      -8.2010      1.00000
     75      -8.1782      1.00000
     76      -8.0871      1.00000
     77      -7.8673      1.00000
     78      -7.8455      1.00000
     79      -7.8290      1.00000
     80      -7.7180      1.00000
     81      -7.7040      1.00000
     82      -7.6099      1.00000
     83      -7.5283      1.00000
     84      -7.3603      1.00000
     85      -7.1672      1.00000
     86      -6.9128      1.00000
     87      -6.9014      1.00000
     88      -6.6008      1.00000
     89      -6.5592      1.00000
     90      -6.4138      1.00000
     91      -6.3101      1.00000
     92      -6.2559      1.00000
     93      -6.2057      1.00000
     94      -6.0115      1.00000
     95      -5.5375      1.00000
     96      -5.4734      1.00000
     97      -5.3197      1.00000
     98      -5.2182      1.00000
     99      -5.0507      1.00000
    100      -4.7279      1.00000
    101      -4.6775      1.00000
    102      -4.4219      1.00000
    103      -4.1966      1.00000
    104      -3.8408      1.00000
    105      -3.6370      1.00000
    106      -3.4194      1.00000
    107      -2.2987      0.00000
    108      -1.5152      0.00000
    109      -1.2759      0.00000
    110      -1.2677      0.00000
    111      -1.0393      0.00000
    112      -0.9855      0.00000
    113      -0.8742      0.00000
    114      -0.8049      0.00000
    115      -0.2706      0.00000
    116       0.2005      0.00000
    117       0.2352      0.00000
    118       0.3513      0.00000
    119       0.6553      0.00000
    120       0.8868      0.00000
    121       0.9164      0.00000
    122       1.0119      0.00000
    123       1.1305      0.00000
    124       1.4717      0.00000
    125       1.5033      0.00000
    126       1.6714      0.00000
    127       1.7689      0.00000
    128       1.8163      0.00000
    129       1.9096      0.00000
    130       1.9445      0.00000
    131       2.1540      0.00000
    132       2.2018      0.00000
    133       2.3600      0.00000
    134       2.4507      0.00000
    135       2.5162      0.00000
    136       2.5917      0.00000
    137       2.6145      0.00000
    138       2.6566      0.00000
    139       2.7172      0.00000
    140       2.7983      0.00000
    141       2.9896      0.00000
    142       3.0327      0.00000
    143       3.1493      0.00000
    144       3.2089      0.00000
    145       3.2224      0.00000
    146       3.2607      0.00000
    147       3.3101      0.00000
    148       3.3949      0.00000
    149       3.4652      0.00000
    150       3.6515      0.00000
    151       3.6741      0.00000
    152       3.7096      0.00000
    153       3.7844      0.00000
    154       3.8524      0.00000
    155       3.8814      0.00000
    156       3.9431      0.00000
    157       3.9847      0.00000
    158       4.0217      0.00000
    159       4.0229      0.00000
    160       4.0567      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.4032      1.00000
      2     -21.8440      1.00000
      3     -21.6555      1.00000
      4     -21.6206      1.00000
      5     -21.2917      1.00000
      6     -21.2460      1.00000
      7     -21.0711      1.00000
      8     -20.1841      1.00000
      9     -20.1391      1.00000
     10     -19.6284      1.00000
     11     -19.6030      1.00000
     12     -19.4292      1.00000
     13     -19.1071      1.00000
     14     -19.0674      1.00000
     15     -19.0655      1.00000
     16     -19.0503      1.00000
     17     -18.3780      1.00000
     18     -18.3589      1.00000
     19     -18.0294      1.00000
     20     -17.0822      1.00000
     21     -17.0356      1.00000
     22     -16.9601      1.00000
     23     -16.9468      1.00000
     24     -16.4828      1.00000
     25     -16.4722      1.00000
     26     -15.6206      1.00000
     27     -15.6194      1.00000
     28     -15.2607      1.00000
     29     -15.2487      1.00000
     30     -15.2029      1.00000
     31     -15.1160      1.00000
     32     -15.0791      1.00000
     33     -14.7080      1.00000
     34     -14.7070      1.00000
     35     -13.7342      1.00000
     36     -13.7341      1.00000
     37     -13.2471      1.00000
     38     -12.6348      1.00000
     39     -12.5878      1.00000
     40     -12.4675      1.00000
     41     -12.4622      1.00000
     42     -12.1136      1.00000
     43     -12.1083      1.00000
     44     -11.7290      1.00000
     45     -11.6916      1.00000
     46     -11.2543      1.00000
     47     -11.2304      1.00000
     48     -11.0290      1.00000
     49     -11.0179      1.00000
     50     -10.9365      1.00000
     51     -10.9087      1.00000
     52     -10.6439      1.00000
     53     -10.1838      1.00000
     54     -10.1607      1.00000
     55     -10.0948      1.00000
     56     -10.0006      1.00000
     57      -9.7054      1.00000
     58      -9.6996      1.00000
     59      -9.6831      1.00000
     60      -9.5991      1.00000
     61      -9.5761      1.00000
     62      -9.5620      1.00000
     63      -9.3232      1.00000
     64      -9.3113      1.00000
     65      -9.2922      1.00000
     66      -9.2483      1.00000
     67      -9.1335      1.00000
     68      -9.1228      1.00000
     69      -9.1226      1.00000
     70      -8.9512      1.00000
     71      -8.8808      1.00000
     72      -8.6082      1.00000
     73      -8.5942      1.00000
     74      -8.2797      1.00000
     75      -8.1108      1.00000
     76      -7.8727      1.00000
     77      -7.8541      1.00000
     78      -7.7992      1.00000
     79      -7.7736      1.00000
     80      -7.7630      1.00000
     81      -7.4410      1.00000
     82      -7.3460      1.00000
     83      -7.3299      1.00000
     84      -7.2744      1.00000
     85      -7.1741      1.00000
     86      -7.0188      1.00000
     87      -6.9926      1.00000
     88      -6.7261      1.00000
     89      -6.7004      1.00000
     90      -6.6410      1.00000
     91      -6.5960      1.00000
     92      -6.1271      1.00000
     93      -6.0659      1.00000
     94      -6.0520      1.00000
     95      -6.0323      1.00000
     96      -5.7564      1.00000
     97      -4.9738      1.00000
     98      -4.8448      1.00000
     99      -4.7158      1.00000
    100      -4.6824      1.00000
    101      -4.4828      1.00000
    102      -4.3518      1.00000
    103      -4.1169      1.00000
    104      -4.0605      1.00000
    105      -3.7553      1.00000
    106      -3.4654      1.00000
    107      -1.9566      0.00000
    108      -1.7765      0.00000
    109      -1.4874      0.00000
    110      -1.3599      0.00000
    111      -1.3437      0.00000
    112      -1.2964      0.00000
    113      -0.6872      0.00000
    114      -0.4783      0.00000
    115      -0.2388      0.00000
    116       0.0427      0.00000
    117       0.5478      0.00000
    118       0.6899      0.00000
    119       0.7634      0.00000
    120       1.0096      0.00000
    121       1.0932      0.00000
    122       1.1559      0.00000
    123       1.2323      0.00000
    124       1.3102      0.00000
    125       1.3873      0.00000
    126       1.5367      0.00000
    127       1.7339      0.00000
    128       1.8166      0.00000
    129       1.8557      0.00000
    130       1.8733      0.00000
    131       2.0149      0.00000
    132       2.1691      0.00000
    133       2.1744      0.00000
    134       2.2252      0.00000
    135       2.4361      0.00000
    136       2.5604      0.00000
    137       2.6221      0.00000
    138       2.6812      0.00000
    139       2.7508      0.00000
    140       2.8304      0.00000
    141       2.8332      0.00000
    142       2.8571      0.00000
    143       2.9214      0.00000
    144       3.0091      0.00000
    145       3.2468      0.00000
    146       3.3267      0.00000
    147       3.3692      0.00000
    148       3.3944      0.00000
    149       3.3949      0.00000
    150       3.5538      0.00000
    151       3.6240      0.00000
    152       3.6333      0.00000
    153       3.6894      0.00000
    154       3.8590      0.00000
    155       3.8610      0.00000
    156       3.9102      0.00000
    157       4.0481      0.00000
    158       4.1474      0.00000
    159       4.2081      0.00000
    160       4.2442      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2214      1.00000
      2     -22.1344      1.00000
      3     -21.9712      1.00000
      4     -21.4182      1.00000
      5     -21.0598      1.00000
      6     -21.0312      1.00000
      7     -20.5088      1.00000
      8     -20.4790      1.00000
      9     -20.3010      1.00000
     10     -20.2978      1.00000
     11     -19.9679      1.00000
     12     -19.9071      1.00000
     13     -18.8935      1.00000
     14     -18.8283      1.00000
     15     -18.3505      1.00000
     16     -18.3302      1.00000
     17     -18.1614      1.00000
     18     -18.1531      1.00000
     19     -17.8285      1.00000
     20     -17.8089      1.00000
     21     -17.2680      1.00000
     22     -17.2481      1.00000
     23     -17.1719      1.00000
     24     -17.1454      1.00000
     25     -16.1303      1.00000
     26     -15.8920      1.00000
     27     -15.8805      1.00000
     28     -15.8482      1.00000
     29     -15.2412      1.00000
     30     -14.5603      1.00000
     31     -14.5413      1.00000
     32     -14.2851      1.00000
     33     -13.9865      1.00000
     34     -13.9636      1.00000
     35     -13.8321      1.00000
     36     -13.8132      1.00000
     37     -13.6139      1.00000
     38     -13.5875      1.00000
     39     -13.3845      1.00000
     40     -12.6517      1.00000
     41     -12.1774      1.00000
     42     -12.1505      1.00000
     43     -12.0774      1.00000
     44     -12.0322      1.00000
     45     -11.6762      1.00000
     46     -11.6711      1.00000
     47     -11.1439      1.00000
     48     -11.1325      1.00000
     49     -10.7968      1.00000
     50     -10.7423      1.00000
     51     -10.5404      1.00000
     52     -10.2192      1.00000
     53     -10.2131      1.00000
     54     -10.1831      1.00000
     55     -10.0338      1.00000
     56     -10.0058      1.00000
     57     -10.0019      1.00000
     58      -9.8176      1.00000
     59      -9.8067      1.00000
     60      -9.7718      1.00000
     61      -9.7640      1.00000
     62      -9.4601      1.00000
     63      -9.4267      1.00000
     64      -9.0946      1.00000
     65      -9.0570      1.00000
     66      -9.0358      1.00000
     67      -8.9763      1.00000
     68      -8.9059      1.00000
     69      -8.7188      1.00000
     70      -8.7092      1.00000
     71      -8.5661      1.00000
     72      -8.5548      1.00000
     73      -8.4883      1.00000
     74      -8.4679      1.00000
     75      -8.4655      1.00000
     76      -8.3144      1.00000
     77      -8.1037      1.00000
     78      -8.1023      1.00000
     79      -7.9371      1.00000
     80      -7.8407      1.00000
     81      -7.6104      1.00000
     82      -7.5413      1.00000
     83      -7.4586      1.00000
     84      -7.2997      1.00000
     85      -7.0008      1.00000
     86      -6.9284      1.00000
     87      -6.8927      1.00000
     88      -6.5327      1.00000
     89      -6.5220      1.00000
     90      -6.4850      1.00000
     91      -6.4293      1.00000
     92      -5.9330      1.00000
     93      -5.9125      1.00000
     94      -5.7978      1.00000
     95      -5.7823      1.00000
     96      -5.3754      1.00000
     97      -5.3674      1.00000
     98      -5.2286      1.00000
     99      -5.2242      1.00000
    100      -5.2060      1.00000
    101      -4.7237      1.00000
    102      -4.4388      1.00000
    103      -4.1929      1.00000
    104      -3.8175      1.00000
    105      -3.5646      1.00000
    106      -3.2282      1.00000
    107      -2.5690      0.00000
    108      -1.4684      0.00000
    109      -1.2760      0.00000
    110      -1.1896      0.00000
    111      -1.1890      0.00000
    112      -0.6499      0.00000
    113      -0.5585      0.00000
    114      -0.4209      0.00000
    115      -0.3517      0.00000
    116      -0.0839      0.00000
    117      -0.0688      0.00000
    118       0.1177      0.00000
    119       0.5898      0.00000
    120       0.6190      0.00000
    121       0.8182      0.00000
    122       0.9457      0.00000
    123       0.9720      0.00000
    124       1.4606      0.00000
    125       1.6383      0.00000
    126       1.6876      0.00000
    127       1.7968      0.00000
    128       2.0498      0.00000
    129       2.1302      0.00000
    130       2.1625      0.00000
    131       2.2063      0.00000
    132       2.2494      0.00000
    133       2.3299      0.00000
    134       2.4571      0.00000
    135       2.4958      0.00000
    136       2.6116      0.00000
    137       2.8429      0.00000
    138       2.8480      0.00000
    139       2.9150      0.00000
    140       2.9576      0.00000
    141       2.9878      0.00000
    142       3.0953      0.00000
    143       3.1759      0.00000
    144       3.2063      0.00000
    145       3.2101      0.00000
    146       3.2565      0.00000
    147       3.2820      0.00000
    148       3.3240      0.00000
    149       3.3455      0.00000
    150       3.4881      0.00000
    151       3.5251      0.00000
    152       3.5987      0.00000
    153       3.6068      0.00000
    154       3.6840      0.00000
    155       3.6984      0.00000
    156       3.8617      0.00000
    157       3.9110      0.00000
    158       3.9771      0.00000
    159       4.0083      0.00000
    160       4.1158      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2963      1.00000
      2     -22.0930      1.00000
      3     -21.7340      1.00000
      4     -21.6953      1.00000
      5     -20.9957      1.00000
      6     -20.9491      1.00000
      7     -20.6238      1.00000
      8     -20.5936      1.00000
      9     -20.5795      1.00000
     10     -20.0461      1.00000
     11     -19.5243      1.00000
     12     -19.4954      1.00000
     13     -19.3235      1.00000
     14     -19.3108      1.00000
     15     -18.4615      1.00000
     16     -18.4195      1.00000
     17     -17.9384      1.00000
     18     -17.9189      1.00000
     19     -17.7773      1.00000
     20     -17.7334      1.00000
     21     -17.4522      1.00000
     22     -17.4345      1.00000
     23     -17.3502      1.00000
     24     -16.4793      1.00000
     25     -16.4699      1.00000
     26     -15.9835      1.00000
     27     -15.4210      1.00000
     28     -15.4203      1.00000
     29     -15.1059      1.00000
     30     -15.1026      1.00000
     31     -14.8630      1.00000
     32     -14.8511      1.00000
     33     -14.3102      1.00000
     34     -14.2641      1.00000
     35     -13.4558      1.00000
     36     -13.4094      1.00000
     37     -13.1841      1.00000
     38     -13.1825      1.00000
     39     -12.9991      1.00000
     40     -12.9902      1.00000
     41     -12.6196      1.00000
     42     -12.6173      1.00000
     43     -12.2082      1.00000
     44     -11.5870      1.00000
     45     -11.5471      1.00000
     46     -11.3216      1.00000
     47     -11.2922      1.00000
     48     -11.1528      1.00000
     49     -10.7004      1.00000
     50     -10.6682      1.00000
     51     -10.5538      1.00000
     52     -10.3330      1.00000
     53     -10.3263      1.00000
     54     -10.1874      1.00000
     55     -10.1262      1.00000
     56     -10.1163      1.00000
     57      -9.8228      1.00000
     58      -9.7636      1.00000
     59      -9.7618      1.00000
     60      -9.7135      1.00000
     61      -9.7094      1.00000
     62      -9.6578      1.00000
     63      -9.3629      1.00000
     64      -9.3623      1.00000
     65      -9.3234      1.00000
     66      -9.0368      1.00000
     67      -8.9705      1.00000
     68      -8.9691      1.00000
     69      -8.7864      1.00000
     70      -8.5970      1.00000
     71      -8.5948      1.00000
     72      -8.4338      1.00000
     73      -8.3597      1.00000
     74      -8.3286      1.00000
     75      -8.3144      1.00000
     76      -8.2716      1.00000
     77      -8.2611      1.00000
     78      -8.2440      1.00000
     79      -7.9341      1.00000
     80      -7.7427      1.00000
     81      -7.3894      1.00000
     82      -7.3570      1.00000
     83      -7.3131      1.00000
     84      -7.2258      1.00000
     85      -7.1680      1.00000
     86      -7.0759      1.00000
     87      -6.9696      1.00000
     88      -6.9150      1.00000
     89      -6.6172      1.00000
     90      -6.5662      1.00000
     91      -6.2745      1.00000
     92      -6.0024      1.00000
     93      -5.9685      1.00000
     94      -5.6819      1.00000
     95      -5.6555      1.00000
     96      -5.3916      1.00000
     97      -5.3227      1.00000
     98      -5.3012      1.00000
     99      -5.2201      1.00000
    100      -5.2088      1.00000
    101      -4.5071      1.00000
    102      -4.3375      1.00000
    103      -4.0008      1.00000
    104      -3.8907      1.00000
    105      -3.7930      1.00000
    106      -3.4441      1.00000
    107      -2.0406      0.00000
    108      -1.8690      0.00000
    109      -1.2232      0.00000
    110      -1.1924      0.00000
    111      -1.0401      0.00000
    112      -0.7768      0.00000
    113      -0.6873      0.00000
    114      -0.6628      0.00000
    115      -0.6139      0.00000
    116      -0.1121      0.00000
    117       0.2195      0.00000
    118       0.2303      0.00000
    119       0.7300      0.00000
    120       0.9480      0.00000
    121       1.0629      0.00000
    122       1.2288      0.00000
    123       1.2397      0.00000
    124       1.3069      0.00000
    125       1.5483      0.00000
    126       1.5810      0.00000
    127       1.6530      0.00000
    128       1.7511      0.00000
    129       1.8907      0.00000
    130       1.8951      0.00000
    131       2.0699      0.00000
    132       2.2836      0.00000
    133       2.3233      0.00000
    134       2.3715      0.00000
    135       2.4809      0.00000
    136       2.5890      0.00000
    137       2.7523      0.00000
    138       2.8016      0.00000
    139       2.8083      0.00000
    140       2.8334      0.00000
    141       3.0048      0.00000
    142       3.0547      0.00000
    143       3.0935      0.00000
    144       3.1655      0.00000
    145       3.3231      0.00000
    146       3.3834      0.00000
    147       3.4561      0.00000
    148       3.4931      0.00000
    149       3.5563      0.00000
    150       3.5823      0.00000
    151       3.6028      0.00000
    152       3.6975      0.00000
    153       3.7068      0.00000
    154       3.7372      0.00000
    155       3.8000      0.00000
    156       3.8314      0.00000
    157       3.9582      0.00000
    158       4.0462      0.00000
    159       4.1209      0.00000
    160       4.1441      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0371   -7.3819    4.2004   -1.2750   -0.2390   17.5875    0.1555   -0.5285    0.6312   -0.4620
x    -3.0953   -0.0376   -0.0627    0.0617   -0.0073   -2.9761   -0.0133   -0.0072    0.0048    0.0016
x    -0.0964    0.0013   -0.0013    0.0005    0.0004   -0.0235   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0371    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0003    0.0005    0.0006   -0.0935   -0.0087    0.0394    0.0363
y    -0.0460   -3.2483   -0.5408   -0.1617   -1.1706   -0.6061
z   204.0371    1.0864   -0.3104    0.0506    0.0177    0.0863   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1136    0.0003    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8747
z    -0.2186    0.2305   -0.0543    0.0623   -0.0896    0.0009
 total charge-density along one line
x   212.0000  -10.2108    6.1490   -2.0850   -0.4748   19.5080   -0.9871    0.4785   -0.0476   -0.1241
x    -2.6482   -0.0279   -0.0606    0.0846   -0.0518   -2.2242   -0.0269   -0.0026    0.0051    0.0021
x    -0.0895    0.0055   -0.0050    0.0027   -0.0005   -0.0353   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0054    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2108    6.1490   -2.0850   -0.4748   19.5080   -0.9871    0.4785   -0.0476   -0.1241
y    -2.6482   -0.0279   -0.0606    0.0846   -0.0518   -2.2242   -0.0269   -0.0026    0.0051    0.0021
y    -0.0895    0.0055   -0.0050    0.0027   -0.0005   -0.0353   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0054    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3293  188.9156 -170.1925  154.1234 -140.5878  126.9074 -111.5516   95.2194  -79.4259
z    65.0461  -52.2372   41.1189  -32.0322   25.1435  -20.0639   16.0247  -12.4195    9.1359   -6.4018
z     4.3932   -3.0199    2.0295   -1.2335    0.6006   -0.1674   -0.0835    0.2403   -0.3809    0.5088
z    -0.5755    0.5535   -0.4740    0.3965   -0.3546    0.3363   -0.3112    0.2660   -0.2135    0.1713
z    -0.1446    0.1253   -0.1050    0.0833   -0.0656    0.0548   -0.0486    0.0429   -0.0358    0.0290
z    -0.0242    0.0213   -0.0189    0.0160   -0.0131    0.0104   -0.0083    0.0065   -0.0049    0.0036
z    -0.0025    0.0016   -0.0007   -0.0001    0.0006   -0.0006    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0002   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.839   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.839   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.004   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.155   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.834   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.055   0.000  -0.068   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.213   0.000   0.000   0.268   0.000  -0.309   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.796   0.000  -0.024  -0.052   0.000   0.302   0.000   0.028  -0.194  -0.030   0.000   0.095   0.000   0.000
  0.000   0.213   0.000   1.566   0.000   0.000  -0.309   0.000   0.625   0.000   0.000   0.000  -0.117   0.000   0.170  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.055   0.000  -0.052   0.000  -0.024   0.077   0.000  -0.131   0.000  -0.033  -0.277   0.081   0.000  -0.092   0.000   0.000
  0.000   0.268   0.000  -0.309   0.000   0.000   0.155   0.000  -0.189   0.000   0.000   0.000   0.011   0.000  -0.050  -0.005
 -0.068   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.076   0.587  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.309   0.000   0.625   0.000   0.000  -0.189   0.000   0.373   0.000   0.000   0.000  -0.050   0.000   0.068   0.007
 -0.024   0.000   0.028   0.000   0.026  -0.033   0.000   0.076   0.000   0.039   0.162  -0.047   0.000   0.052   0.000   0.000
  0.078   0.000  -0.194   0.000  -0.051  -0.277   0.000   0.587   0.000   0.162   1.364  -0.419   0.000   0.282   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.081   0.000  -0.238   0.000  -0.047  -0.419   0.175   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.050   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.092   0.000   0.062   0.000   0.052   0.282  -0.035   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.170   0.000   0.000  -0.050   0.000   0.068   0.000   0.000   0.000  -0.034   0.000   0.067   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.005   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.642   0.259   8.029   8.930
  2        0.520   0.027   0.000   0.547
  3        0.520   0.027   0.000   0.547
  4        0.864   1.785   0.000   2.649
  5        0.864   1.785   0.000   2.649
  6        0.864   1.784   0.000   2.647
  7        0.864   1.785   0.000   2.649
  8        0.864   1.784   0.000   2.648
  9        0.864   1.785   0.000   2.649
 10        0.864   1.785   0.000   2.649
 11        0.864   1.784   0.000   2.648
 12        0.863   1.786   0.000   2.649
 13        0.864   1.784   0.000   2.648
 14        0.864   1.785   0.000   2.649
 15        0.864   1.785   0.000   2.649
 16        0.864   1.775   0.000   2.639
 17        0.860   1.781   0.000   2.641
 18        0.863   1.786   0.000   2.650
 19        0.864   1.784   0.000   2.648
 20        0.864   1.784   0.000   2.649
 21        0.864   1.782   0.000   2.646
 22        0.864   1.772   0.000   2.636
 23        0.864   1.782   0.000   2.646
 24        0.864   1.784   0.000   2.648
 25        0.864   1.783   0.000   2.647
 26        0.864   1.783   0.000   2.647
 27        0.864   1.784   0.000   2.649
 28        0.864   1.785   0.000   2.649
 29        0.864   1.784   0.000   2.648
 30        0.864   1.785   0.000   2.649
 31        0.864   1.784   0.000   2.649
 32        0.864   1.783   0.000   2.647
 33        0.864   1.783   0.000   2.647
 34        0.864   1.784   0.000   2.648
 35        0.864   1.782   0.000   2.646
 36        0.864   1.772   0.000   2.636
 37        0.864   1.782   0.000   2.646
 38        0.864   1.784   0.000   2.649
 39        0.864   1.785   0.000   2.649
 40        0.863   1.786   0.000   2.650
 41        0.860   1.781   0.000   2.641
 42        0.864   1.775   0.000   2.639
 43        0.864   1.785   0.000   2.649
 44        0.864   1.785   0.000   2.649
 45        0.864   1.784   0.000   2.648
 46        0.863   1.786   0.000   2.649
 47        0.864   1.784   0.000   2.648
 48        0.864   1.785   0.000   2.649
 49        0.864   1.785   0.000   2.649
 50        0.864   1.784   0.000   2.648
 51        0.864   1.785   0.000   2.649
 52        0.864   1.784   0.000   2.647
 53        0.864   1.785   0.000   2.649
------------------------------------------------
tot       44.876  89.476   8.029 142.381
 


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


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


    CHARGE:  VPU time   90.25: CPU time   45.48
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  362.69: CPU time  181.66
    STRESS:  VPU time 1090.90: CPU time  548.07
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.14
 d Force =-0.3406024E-03[-0.738E-03, 0.567E-04]  d Energy =-0.1144527E-02 0.804E-03
 d Force =-0.1561494E+01[-0.156E+01,-0.157E+01]  d Ewald  =-0.6608461E+02 0.645E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.725602 eV

  energy  without entropy=     -471.725602  energy(sigma->0) =     -471.725602
 

  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    40882.65  40840.17 -47582.46    -36.79      0.00      0.00
  Hartree  40305.71  40289.36 -39564.01    -14.15      0.00      0.00
  E(xc)     -779.56   -779.85   -807.50     -0.26      0.00      0.00
  Local   -83472.08 -83422.29  84461.03     43.12      0.00      0.00
  n-local   -217.05   -215.97   -203.70      0.66      0.00      0.00
  augment     20.04     22.02     17.80      1.72      0.00      0.00
  Kinetic   3163.41   3177.46   3584.64      3.81      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.79      1.09     -0.26      0.26      0.00      0.00
  in kB        0.48      0.66     -0.16      0.16      0.00      0.00
  external pressure =        0.33 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342263724 -0.000463338  0.000000000     0.081024170  0.046783450  0.000000000
    -6.171539764 10.688478246  0.000000000     0.000003512  0.093560716  0.000000000
     0.000000000  0.000000000 19.997867275     0.000000000  0.000000000  0.050005332

  length of vectors
    12.342263733 12.342263580 19.997867275     0.093560715  0.093560716  0.050005332


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.444E-05 -.488E-04 -.952E+03   0.420E-05 -.275E-04 0.961E+03   -.338E-20 0.840E-21 -.865E+01   0.197E-06 -.112E-06 0.124E-01
   0.321E+02 -.185E+02 -.135E+03   -.336E+02 0.194E+02 0.137E+03   0.153E+01 -.882E+00 -.252E+01   -.162E-02 0.934E-03 0.434E-02
   -.321E+02 0.185E+02 -.135E+03   0.336E+02 -.194E+02 0.137E+03   -.153E+01 0.882E+00 -.252E+01   0.162E-02 -.934E-03 0.434E-02
   -.206E+01 0.119E+01 0.142E+02   0.205E+01 -.118E+01 -.142E+02   -.218E-01 0.126E-01 -.272E-01   -.564E-03 0.323E-03 -.489E-02
   0.625E+01 0.668E+01 0.167E+02   -.628E+01 -.668E+01 -.167E+02   -.128E-01 0.410E-01 -.338E-01   -.128E-02 -.373E-02 -.474E-02
   0.109E+02 0.510E+01 0.163E+02   -.109E+02 -.512E+01 -.163E+02   0.286E-01 0.247E-02 -.541E-01   -.498E-02 -.438E-03 -.742E-03
   0.465E+01 -.909E+00 0.151E+02   -.467E+01 0.922E+00 -.151E+02   0.109E-01 -.974E-02 -.140E-01   -.152E-02 0.439E-03 0.181E-02
   -.306E+01 -.260E+01 0.137E+02   0.305E+01 0.262E+01 -.137E+02   -.103E-02 0.983E-02 -.375E-02   0.141E-02 -.712E-04 -.714E-04
   0.726E+00 0.395E+01 0.137E+02   -.740E+00 -.395E+01 -.137E+02   -.903E-02 -.402E-02 -.375E-02   0.759E-03 -.119E-02 -.746E-04
   0.240E+01 0.189E+02 0.222E+02   -.240E+01 -.190E+02 -.222E+02   0.440E-02 0.104E+00 -.628E-01   -.123E-02 -.369E-02 -.334E-02
   0.222E+02 0.214E+02 0.410E+02   -.223E+02 -.216E+02 -.409E+02   0.979E-01 0.252E+00 -.518E-01   -.478E-02 -.285E-02 -.505E-02
   0.264E+02 -.346E+01 0.260E+02   -.267E+02 0.357E+01 -.259E+02   0.261E+00 -.103E+00 -.520E-01   -.594E-02 -.774E-03 -.336E-02
   0.893E+01 -.516E+01 0.156E+02   -.897E+01 0.518E+01 -.156E+02   0.470E-01 -.272E-01 -.145E-01   -.447E-02 0.257E-02 -.992E-04
   0.311E+01 -.357E+01 0.151E+02   -.313E+01 0.358E+01 -.151E+02   0.139E-01 -.457E-02 -.140E-01   -.114E-02 0.109E-02 0.180E-02
   -.587E+01 0.134E+02 0.179E+02   0.587E+01 -.135E+02 -.179E+02   -.729E-02 0.761E-01 -.288E-01   0.141E-02 -.407E-02 -.509E-03
   -.118E+02 0.357E+02 0.466E+02   0.119E+02 -.363E+02 -.469E+02   -.211E-01 0.608E+00 0.297E+00   0.835E-03 -.658E-02 -.433E-02
   0.235E+02 -.136E+02 0.907E+02   -.242E+02 0.139E+02 -.927E+02   0.629E+00 -.363E+00 0.201E+01   -.294E-02 0.169E-02 -.426E-02
   0.162E+02 -.212E+02 0.260E+02   -.164E+02 0.213E+02 -.259E+02   0.220E+00 -.175E+00 -.520E-01   -.230E-02 0.552E-02 -.336E-02
   0.104E+01 -.120E+02 0.163E+02   -.104E+01 0.120E+02 -.163E+02   0.121E-01 -.260E-01 -.541E-01   -.211E-02 0.453E-02 -.747E-03
   -.404E+01 0.189E+01 0.137E+02   0.403E+01 -.189E+01 -.136E+02   -.858E-02 0.105E-01 -.445E-01   0.194E-02 -.805E-03 0.137E-02
   -.190E+02 0.110E+02 0.234E+02   0.190E+02 -.110E+02 -.233E+02   -.572E-01 0.330E-01 -.178E-01   0.468E-02 -.270E-02 -.330E-02
   -.369E+02 -.760E+01 0.466E+02   0.374E+02 0.786E+01 -.469E+02   -.537E+00 -.286E+00 0.297E+00   0.612E-02 0.256E-02 -.433E-02
   -.740E+01 -.299E+02 0.410E+02   0.761E+01 0.301E+02 -.409E+02   -.169E+00 -.211E+00 -.518E-01   0.833E-04 0.556E-02 -.505E-02
   -.266E+01 -.875E+01 0.167E+02   0.264E+01 0.877E+01 -.167E+02   -.419E-01 -.945E-02 -.338E-01   0.259E-02 0.298E-02 -.474E-02
   0.144E+01 -.834E+00 0.135E+02   -.147E+01 0.846E+00 -.134E+02   -.367E-02 0.212E-02 -.183E-01   -.821E-03 0.476E-03 -.236E-02
   -.366E+01 0.256E+01 0.137E+02   0.365E+01 -.254E+01 -.136E+02   -.134E-01 0.217E-02 -.445E-01   0.167E-02 -.127E-02 0.138E-02
   -.145E+02 -.162E+01 0.179E+02   0.146E+02 0.165E+01 -.179E+02   -.695E-01 -.317E-01 -.288E-01   0.423E-02 0.810E-03 -.502E-03
   -.152E+02 -.115E+02 0.222E+02   0.153E+02 0.116E+02 -.222E+02   -.879E-01 -.558E-01 -.628E-01   0.258E-02 0.290E-02 -.333E-02
   0.266E+01 0.875E+01 0.167E+02   -.264E+01 -.877E+01 -.167E+02   0.419E-01 0.945E-02 -.338E-01   -.259E-02 -.298E-02 -.474E-02
   0.152E+02 0.115E+02 0.222E+02   -.153E+02 -.116E+02 -.222E+02   0.879E-01 0.558E-01 -.628E-01   -.258E-02 -.290E-02 -.333E-02
   0.145E+02 0.162E+01 0.179E+02   -.146E+02 -.165E+01 -.179E+02   0.695E-01 0.317E-01 -.288E-01   -.423E-02 -.810E-03 -.502E-03
   0.366E+01 -.256E+01 0.137E+02   -.365E+01 0.254E+01 -.136E+02   0.134E-01 -.217E-02 -.445E-01   -.167E-02 0.127E-02 0.138E-02
   -.144E+01 0.834E+00 0.135E+02   0.147E+01 -.846E+00 -.134E+02   0.367E-02 -.212E-02 -.183E-01   0.821E-03 -.476E-03 -.236E-02
   -.104E+01 0.120E+02 0.163E+02   0.104E+01 -.120E+02 -.163E+02   -.121E-01 0.260E-01 -.541E-01   0.211E-02 -.453E-02 -.747E-03
   0.740E+01 0.299E+02 0.410E+02   -.761E+01 -.301E+02 -.409E+02   0.169E+00 0.211E+00 -.518E-01   -.832E-04 -.556E-02 -.505E-02
   0.369E+02 0.760E+01 0.466E+02   -.374E+02 -.786E+01 -.469E+02   0.537E+00 0.286E+00 0.297E+00   -.612E-02 -.256E-02 -.433E-02
   0.190E+02 -.110E+02 0.234E+02   -.190E+02 0.110E+02 -.233E+02   0.572E-01 -.330E-01 -.178E-01   -.468E-02 0.270E-02 -.330E-02
   0.404E+01 -.189E+01 0.137E+02   -.403E+01 0.189E+01 -.136E+02   0.858E-02 -.105E-01 -.445E-01   -.194E-02 0.805E-03 0.137E-02
   -.311E+01 0.357E+01 0.151E+02   0.313E+01 -.358E+01 -.151E+02   -.139E-01 0.457E-02 -.140E-01   0.114E-02 -.109E-02 0.180E-02
   -.162E+02 0.212E+02 0.260E+02   0.164E+02 -.213E+02 -.259E+02   -.220E+00 0.175E+00 -.520E-01   0.230E-02 -.552E-02 -.336E-02
   -.235E+02 0.136E+02 0.907E+02   0.242E+02 -.139E+02 -.927E+02   -.629E+00 0.363E+00 0.201E+01   0.294E-02 -.169E-02 -.426E-02
   0.118E+02 -.357E+02 0.466E+02   -.119E+02 0.363E+02 -.469E+02   0.211E-01 -.608E+00 0.297E+00   -.835E-03 0.658E-02 -.433E-02
   0.587E+01 -.134E+02 0.179E+02   -.587E+01 0.135E+02 -.179E+02   0.729E-02 -.761E-01 -.288E-01   -.141E-02 0.407E-02 -.509E-03
   -.726E+00 -.395E+01 0.137E+02   0.740E+00 0.395E+01 -.137E+02   0.903E-02 0.402E-02 -.375E-02   -.759E-03 0.119E-02 -.746E-04
   -.893E+01 0.516E+01 0.156E+02   0.897E+01 -.518E+01 -.156E+02   -.470E-01 0.272E-01 -.145E-01   0.447E-02 -.257E-02 -.992E-04
   -.264E+02 0.346E+01 0.260E+02   0.267E+02 -.357E+01 -.259E+02   -.261E+00 0.103E+00 -.520E-01   0.594E-02 0.774E-03 -.336E-02
   -.222E+02 -.214E+02 0.410E+02   0.223E+02 0.216E+02 -.409E+02   -.979E-01 -.252E+00 -.518E-01   0.478E-02 0.285E-02 -.505E-02
   -.240E+01 -.189E+02 0.222E+02   0.240E+01 0.190E+02 -.222E+02   -.440E-02 -.104E+00 -.628E-01   0.123E-02 0.369E-02 -.334E-02
   0.206E+01 -.119E+01 0.142E+02   -.205E+01 0.118E+01 -.142E+02   0.218E-01 -.126E-01 -.272E-01   0.564E-03 -.323E-03 -.489E-02
   0.306E+01 0.260E+01 0.137E+02   -.305E+01 -.262E+01 -.137E+02   0.103E-02 -.983E-02 -.375E-02   -.141E-02 0.712E-04 -.714E-04
   -.465E+01 0.909E+00 0.151E+02   0.467E+01 -.922E+00 -.151E+02   -.109E-01 0.974E-02 -.140E-01   0.152E-02 -.439E-03 0.181E-02
   -.109E+02 -.510E+01 0.163E+02   0.109E+02 0.512E+01 -.163E+02   -.286E-01 -.247E-02 -.541E-01   0.498E-02 0.438E-03 -.742E-03
   -.625E+01 -.668E+01 0.167E+02   0.628E+01 0.668E+01 -.167E+02   0.128E-01 -.410E-01 -.338E-01   0.128E-02 0.373E-02 -.474E-02
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.293E-03 0.101E+02   -.234E-12 -.167E-12 -.217E-12   -.154E-15 -.222E-15 -.100E+02   0.178E-06 -.983E-07 -.845E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85111      6.05660     12.34489         0.000000      0.000000      0.080638
      1.07680      6.50365     13.60980         0.022533     -0.013010     -0.043703
      2.62542      5.60956     13.60980        -0.022533      0.013010     -0.043703
      0.00056     -0.00033      9.98444        -0.036226      0.020915     -0.003466
     -1.23427      2.13556      9.98539        -0.044655      0.042666     -0.003718
     -2.47019      4.27530      9.99270         0.021638     -0.008922     -0.000540
     -3.70335      6.41330      9.99050        -0.015500      0.003414      0.002041
     -4.93698      8.55057      9.98743        -0.006541      0.022210      0.004195
      2.46877     -0.00021      9.98743        -0.022504     -0.005441      0.004195
      1.23334      2.13567      9.99080         0.003862     -0.013559     -0.015164
     -0.00376      4.26946     10.00279         0.048852     -0.024629      0.009255
     -1.23874      6.41346     10.01555        -0.006232      0.010564     -0.009768
     -2.46945      8.55108      9.99345         0.006005     -0.003467      0.000226
      4.93651      0.00008      9.99050        -0.010707      0.011716      0.002041
      3.70336      2.13530      9.99792        -0.011340      0.015970      0.010838
      2.46880      4.26631     10.03745         0.014658      0.017642     -0.000304
      1.22833      6.41616     10.04877        -0.012310      0.007107     -0.002232
     -0.00286      8.55406     10.01555        -0.012265      0.000115     -0.009768
      7.40465      0.00113      9.99270         0.018546     -0.014278     -0.000540
      6.17117      2.13737      9.99032        -0.020940      0.003104     -0.002603
      4.93778      4.27452     10.00606        -0.015223      0.008789      0.015919
      3.71039      6.41681     10.03745        -0.007949     -0.021515     -0.000304
      2.47138      8.55654     10.00279         0.045756     -0.029993      0.009255
      9.87568      0.00067      9.98539        -0.059277      0.017339     -0.003718
      8.63965      2.13724      9.98510        -0.025396      0.014662      0.004471
      7.40530      4.27494      9.99032        -0.013158      0.016583     -0.002603
      6.17318      6.41316      9.99792        -0.019500      0.001836      0.010838
      4.93785      8.55208      9.99080         0.013674      0.003435     -0.015164
     -0.00192      1.42406      9.98539         0.059277     -0.017339     -0.003718
     -1.23564      3.56113      9.99080        -0.013674     -0.003435     -0.015164
     -2.47097      5.70005      9.99792         0.019500     -0.001836      0.010838
     -3.70308      7.83827      9.99032         0.013158     -0.016583     -0.002603
     -4.93743      9.97596      9.98510         0.025396     -0.014662      0.004471
      2.46910      1.42360      9.99270        -0.018546      0.014278     -0.000540
      1.23084      3.55667     10.00279        -0.045756      0.029993      0.009255
     -0.00818      5.69640     10.03745         0.007949      0.021515     -0.000304
     -1.23556      7.83869     10.00606         0.015223     -0.008789      0.015919
     -2.46896      9.97584      9.99032         0.020940     -0.003104     -0.002603
      4.93725      1.42465      9.99050         0.010707     -0.011716      0.002041
      3.70508      3.55915     10.01555         0.012265     -0.000115     -0.009768
      2.47389      5.69704     10.04877         0.012310     -0.007107     -0.002232
      1.23341      7.84689     10.03745        -0.014658     -0.017642     -0.000304
     -0.00115      9.97791      9.99792         0.011340     -0.015970      0.010838
      7.40499      1.42493      9.98743         0.022504      0.005441      0.004195
      6.17167      3.56213      9.99345        -0.006005      0.003467      0.000226
      4.94095      5.69975     10.01555         0.006232     -0.010564     -0.009768
      3.70598      7.84374     10.00279        -0.048852      0.024629      0.009255
      2.46887      9.97754      9.99080        -0.003862      0.013559     -0.015164
      9.87319      1.42505      9.98444         0.036226     -0.020915     -0.003466
      8.63919      3.56264      9.98743         0.006541     -0.022210      0.004195
      7.40557      5.69991      9.99050         0.015500     -0.003414      0.002041
      6.17241      7.83791      9.99270        -0.021638      0.008922     -0.000540
      4.93649      9.97765      9.98539         0.044655     -0.042666     -0.003718
 -----------------------------------------------------------------------------------
    total drift:                               -0.001800      0.000293      0.004644


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




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


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  150.85: CPU time   75.50
     LOOP+:  VPU time 7759.25: CPU time 3969.99


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


    POTLOK:  VPU time    7.78: CPU time    7.67
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1473.19: CPU time  752.10
 BZINTS: Fermi energy: -3.201170;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.31: CPU time   45.46
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1571.74: CPU time  805.66

 eigenvalue-minimisations  :  6032
 total energy-change (2. order) :-0.4717271E+03  (-0.9411317E-02)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9594461 magnetization   -0.0000007

 Broyden mixing:
  rms(total) = 0.11184E-01    rms(broyden)= 0.11181E-01
  rms(prec ) = 0.12558E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34092.17894060
  -1/2 Hartree   DENC   =    -40985.83998648
  -V(xc)+E(xc)   XCENC  =       726.69892849
  PAW double counting   =      4096.91380629    -4135.25514575
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2471.86346443
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72706769 eV

  energy without entropy =     -471.72706769  energy(sigma->0) =     -471.72706769


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




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


    POTLOK:  VPU time    7.68: CPU time    7.68
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1530.29: CPU time  780.79
 BZINTS: Fermi energy: -3.198672;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.18: CPU time   45.46
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1628.63: CPU time  834.36

 eigenvalue-minimisations  :  6344
 total energy-change (2. order) : 0.3024646E-03  (-0.1766041E-03)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9580116 magnetization    0.0000026

 Broyden mixing:
  rms(total) = 0.68364E-02    rms(broyden)= 0.68359E-02
  rms(prec ) = 0.76635E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0731
  2.0731

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34092.17894060
  -1/2 Hartree   DENC   =    -40984.66765858
  -V(xc)+E(xc)   XCENC  =       726.65554249
  PAW double counting   =      4095.52489319    -4133.85748096
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2473.00085557
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72676523 eV

  energy without entropy =     -471.72676523  energy(sigma->0) =     -471.72676523


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




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


    POTLOK:  VPU time    7.69: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1508.35: CPU time  769.75
 BZINTS: Fermi energy: -3.192174;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.15: CPU time   45.46
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1606.67: CPU time  823.35

 eigenvalue-minimisations  :  6224
 total energy-change (2. order) : 0.1692337E-03  (-0.7055409E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9592311 magnetization   -0.0000039

 Broyden mixing:
  rms(total) = 0.12653E-02    rms(broyden)= 0.12643E-02
  rms(prec ) = 0.14097E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5300
  2.1015  0.9585

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34092.17894060
  -1/2 Hartree   DENC   =    -40983.05813673
  -V(xc)+E(xc)   XCENC  =       726.59811171
  PAW double counting   =      4093.83655037    -4132.15941313
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.56250241
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72659599 eV

  energy without entropy =     -471.72659599  energy(sigma->0) =     -471.72659599


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




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


    POTLOK:  VPU time    7.70: CPU time    7.70
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1220.80: CPU time  623.85
 BZINTS: Fermi energy: -3.190499;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1228.84: CPU time  631.86

 eigenvalue-minimisations  :  4632
 total energy-change (2. order) :-0.9045296E-05  (-0.7424750E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9592311 magnetization   -0.0000039

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34092.17894060
  -1/2 Hartree   DENC   =    -40982.99637631
  -V(xc)+E(xc)   XCENC  =       726.59784761
  PAW double counting   =      4093.98236900    -4132.30739014
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.62184940
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72660504 eV

  energy without entropy =     -471.72660504  energy(sigma->0) =     -471.72660504


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2052       2 -39.5352       3 -39.5353       4 -58.3139       5 -58.3176
       6 -58.3201       7 -58.3149       8 -58.3155       9 -58.3154      10 -58.3210
      11 -58.3867      12 -58.3511      13 -58.3233      14 -58.3149      15 -58.3245
      16 -58.5396      17 -58.7254      18 -58.3511      19 -58.3201      20 -58.3202
      21 -58.3576      22 -58.5396      23 -58.3867      24 -58.3177      25 -58.3233
      26 -58.3202      27 -58.3245      28 -58.3210      29 -58.3175      30 -58.3209
      31 -58.3244      32 -58.3201      33 -58.3232      34 -58.3200      35 -58.3866
      36 -58.5395      37 -58.3575      38 -58.3201      39 -58.3148      40 -58.3510
      41 -58.7253      42 -58.5395      43 -58.3244      44 -58.3153      45 -58.3232
      46 -58.3510      47 -58.3866      48 -58.3209      49 -58.3138      50 -58.3153
      51 -58.3148      52 -58.3200      53 -58.3176
 
 
 
 E-fermi :  -3.1905     XC(G=0):  -2.3768     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     -22.4262      1.00000
      2     -21.6007      1.00000
      3     -21.4813      1.00000
      4     -21.4725      1.00000
      5     -21.4420      1.00000
      6     -21.4414      1.00000
      7     -21.4312      1.00000
      8     -19.7060      1.00000
      9     -19.6521      1.00000
     10     -19.6296      1.00000
     11     -19.6187      1.00000
     12     -19.6135      1.00000
     13     -19.6125      1.00000
     14     -18.7891      1.00000
     15     -18.7546      1.00000
     16     -18.7347      1.00000
     17     -18.7260      1.00000
     18     -18.7181      1.00000
     19     -18.7130      1.00000
     20     -16.6328      1.00000
     21     -16.6073      1.00000
     22     -16.5852      1.00000
     23     -16.5809      1.00000
     24     -16.5542      1.00000
     25     -16.5528      1.00000
     26     -15.6151      1.00000
     27     -15.6019      1.00000
     28     -15.5979      1.00000
     29     -15.5646      1.00000
     30     -15.5627      1.00000
     31     -15.5612      1.00000
     32     -14.2590      1.00000
     33     -14.2498      1.00000
     34     -14.2401      1.00000
     35     -14.2352      1.00000
     36     -14.2219      1.00000
     37     -14.2196      1.00000
     38     -11.9052      1.00000
     39     -11.8784      1.00000
     40     -11.8666      1.00000
     41     -11.8633      1.00000
     42     -11.8437      1.00000
     43     -11.8436      1.00000
     44     -11.7702      1.00000
     45     -11.7677      1.00000
     46     -11.7356      1.00000
     47     -11.7291      1.00000
     48     -11.7248      1.00000
     49     -11.7225      1.00000
     50     -10.6721      1.00000
     51     -10.3876      1.00000
     52     -10.3831      1.00000
     53     -10.3755      1.00000
     54     -10.3685      1.00000
     55     -10.3555      1.00000
     56     -10.3530      1.00000
     57      -9.9002      1.00000
     58      -9.4481      1.00000
     59      -9.4049      1.00000
     60      -9.3632      1.00000
     61      -9.3625      1.00000
     62      -9.3548      1.00000
     63      -9.1411      1.00000
     64      -9.1207      1.00000
     65      -9.1195      1.00000
     66      -9.0844      1.00000
     67      -9.0716      1.00000
     68      -9.0709      1.00000
     69      -9.0690      1.00000
     70      -9.0639      1.00000
     71      -9.0630      1.00000
     72      -9.0367      1.00000
     73      -9.0282      1.00000
     74      -9.0261      1.00000
     75      -8.1354      1.00000
     76      -7.7284      1.00000
     77      -7.4684      1.00000
     78      -7.4664      1.00000
     79      -7.4525      1.00000
     80      -7.4329      1.00000
     81      -7.4249      1.00000
     82      -7.4053      1.00000
     83      -7.3110      1.00000
     84      -7.2698      1.00000
     85      -7.2567      1.00000
     86      -7.2485      1.00000
     87      -7.1557      1.00000
     88      -7.0428      1.00000
     89      -6.4459      1.00000
     90      -6.4140      1.00000
     91      -6.3998      1.00000
     92      -6.3629      1.00000
     93      -6.3524      1.00000
     94      -6.3390      1.00000
     95      -5.9574      1.00000
     96      -5.9572      1.00000
     97      -4.7939      1.00000
     98      -4.5392      1.00000
     99      -4.4789      1.00000
    100      -4.4700      1.00000
    101      -4.3820      1.00000
    102      -4.3815      1.00000
    103      -4.2638      1.00000
    104      -4.1827      1.00000
    105      -3.7324      1.00000
    106      -3.4688      1.00000
    107      -1.8592      0.00000
    108      -1.6735      0.00000
    109      -1.6224      0.00000
    110      -1.5904      0.00000
    111      -1.5753      0.00000
    112      -1.5744      0.00000
    113      -0.4282      0.00000
    114       0.1435      0.00000
    115       0.1934      0.00000
    116       0.2570      0.00000
    117       0.2678      0.00000
    118       0.2719      0.00000
    119       0.4749      0.00000
    120       0.5385      0.00000
    121       1.2307      0.00000
    122       1.2861      0.00000
    123       1.4989      0.00000
    124       1.7645      0.00000
    125       1.7668      0.00000
    126       1.7669      0.00000
    127       1.7748      0.00000
    128       1.8278      0.00000
    129       1.9599      0.00000
    130       1.9653      0.00000
    131       1.9757      0.00000
    132       1.9901      0.00000
    133       1.9980      0.00000
    134       2.0677      0.00000
    135       2.2294      0.00000
    136       2.3236      0.00000
    137       2.5793      0.00000
    138       2.5797      0.00000
    139       2.6034      0.00000
    140       2.6512      0.00000
    141       2.9180      0.00000
    142       3.0108      0.00000
    143       3.0323      0.00000
    144       3.0591      0.00000
    145       3.0594      0.00000
    146       3.0635      0.00000
    147       3.0652      0.00000
    148       3.2355      0.00000
    149       3.4126      0.00000
    150       3.4743      0.00000
    151       3.7863      0.00000
    152       3.8846      0.00000
    153       3.8868      0.00000
    154       3.8881      0.00000
    155       3.9291      0.00000
    156       3.9771      0.00000
    157       4.1583      0.00000
    158       4.2486      0.00000
    159       4.2553      0.00000
    160       4.2760      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3895      1.00000
      2     -21.8301      1.00000
      3     -21.6386      1.00000
      4     -21.6110      1.00000
      5     -21.2744      1.00000
      6     -21.2359      1.00000
      7     -21.0576      1.00000
      8     -20.1673      1.00000
      9     -20.1299      1.00000
     10     -19.6084      1.00000
     11     -19.5975      1.00000
     12     -19.4174      1.00000
     13     -19.0889      1.00000
     14     -19.0603      1.00000
     15     -19.0493      1.00000
     16     -19.0414      1.00000
     17     -18.3606      1.00000
     18     -18.3522      1.00000
     19     -18.0189      1.00000
     20     -17.0680      1.00000
     21     -17.0301      1.00000
     22     -16.9440      1.00000
     23     -16.9398      1.00000
     24     -16.4673      1.00000
     25     -16.4629      1.00000
     26     -15.6139      1.00000
     27     -15.6071      1.00000
     28     -15.2523      1.00000
     29     -15.2430      1.00000
     30     -15.1843      1.00000
     31     -15.0977      1.00000
     32     -15.0709      1.00000
     33     -14.6983      1.00000
     34     -14.6961      1.00000
     35     -13.7261      1.00000
     36     -13.7234      1.00000
     37     -13.2352      1.00000
     38     -12.6133      1.00000
     39     -12.5833      1.00000
     40     -12.4540      1.00000
     41     -12.4503      1.00000
     42     -12.1087      1.00000
     43     -12.1039      1.00000
     44     -11.7166      1.00000
     45     -11.6861      1.00000
     46     -11.2344      1.00000
     47     -11.2250      1.00000
     48     -11.0171      1.00000
     49     -11.0094      1.00000
     50     -10.9261      1.00000
     51     -10.9049      1.00000
     52     -10.6264      1.00000
     53     -10.1541      1.00000
     54     -10.1504      1.00000
     55     -10.0913      1.00000
     56      -9.9962      1.00000
     57      -9.7025      1.00000
     58      -9.6941      1.00000
     59      -9.6561      1.00000
     60      -9.5910      1.00000
     61      -9.5758      1.00000
     62      -9.5582      1.00000
     63      -9.3062      1.00000
     64      -9.3030      1.00000
     65      -9.2733      1.00000
     66      -9.2356      1.00000
     67      -9.1363      1.00000
     68      -9.1147      1.00000
     69      -9.1108      1.00000
     70      -8.9400      1.00000
     71      -8.8716      1.00000
     72      -8.6033      1.00000
     73      -8.5902      1.00000
     74      -8.2380      1.00000
     75      -8.0997      1.00000
     76      -7.9081      1.00000
     77      -7.8629      1.00000
     78      -7.7710      1.00000
     79      -7.7563      1.00000
     80      -7.6945      1.00000
     81      -7.5506      1.00000
     82      -7.3382      1.00000
     83      -7.3217      1.00000
     84      -7.2048      1.00000
     85      -7.1203      1.00000
     86      -7.0314      1.00000
     87      -7.0114      1.00000
     88      -6.7037      1.00000
     89      -6.6778      1.00000
     90      -6.6404      1.00000
     91      -6.5960      1.00000
     92      -6.1149      1.00000
     93      -6.0613      1.00000
     94      -6.0301      1.00000
     95      -6.0103      1.00000
     96      -5.7819      1.00000
     97      -4.9665      1.00000
     98      -4.8297      1.00000
     99      -4.7453      1.00000
    100      -4.6782      1.00000
    101      -4.4601      1.00000
    102      -4.1976      1.00000
    103      -4.1689      1.00000
    104      -4.1260      1.00000
    105      -3.7231      1.00000
    106      -3.4788      1.00000
    107      -1.8686      0.00000
    108      -1.8100      0.00000
    109      -1.5223      0.00000
    110      -1.3775      0.00000
    111      -1.3210      0.00000
    112      -1.2873      0.00000
    113      -0.7187      0.00000
    114      -0.3756      0.00000
    115      -0.2503      0.00000
    116       0.0352      0.00000
    117       0.5473      0.00000
    118       0.6962      0.00000
    119       0.7463      0.00000
    120       1.0449      0.00000
    121       1.1007      0.00000
    122       1.1450      0.00000
    123       1.2249      0.00000
    124       1.3675      0.00000
    125       1.5063      0.00000
    126       1.5593      0.00000
    127       1.7043      0.00000
    128       1.7909      0.00000
    129       1.8543      0.00000
    130       1.8802      0.00000
    131       2.0813      0.00000
    132       2.1697      0.00000
    133       2.2275      0.00000
    134       2.2798      0.00000
    135       2.4875      0.00000
    136       2.5597      0.00000
    137       2.6009      0.00000
    138       2.7419      0.00000
    139       2.7799      0.00000
    140       2.8218      0.00000
    141       2.8262      0.00000
    142       2.8712      0.00000
    143       2.9164      0.00000
    144       3.0476      0.00000
    145       3.1291      0.00000
    146       3.2697      0.00000
    147       3.3476      0.00000
    148       3.3975      0.00000
    149       3.4308      0.00000
    150       3.5660      0.00000
    151       3.6195      0.00000
    152       3.6221      0.00000
    153       3.6781      0.00000
    154       3.8635      0.00000
    155       3.9246      0.00000
    156       3.9904      0.00000
    157       4.0387      0.00000
    158       4.1795      0.00000
    159       4.2164      0.00000
    160       4.2458      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2830      1.00000
      2     -22.0784      1.00000
      3     -21.7169      1.00000
      4     -21.6855      1.00000
      5     -20.9791      1.00000
      6     -20.9395      1.00000
      7     -20.6116      1.00000
      8     -20.5756      1.00000
      9     -20.5696      1.00000
     10     -20.0329      1.00000
     11     -19.5032      1.00000
     12     -19.4915      1.00000
     13     -19.3071      1.00000
     14     -19.3019      1.00000
     15     -18.4471      1.00000
     16     -18.4111      1.00000
     17     -17.9221      1.00000
     18     -17.9128      1.00000
     19     -17.7608      1.00000
     20     -17.7259      1.00000
     21     -17.4358      1.00000
     22     -17.4284      1.00000
     23     -17.3407      1.00000
     24     -16.4624      1.00000
     25     -16.4613      1.00000
     26     -15.9669      1.00000
     27     -15.4139      1.00000
     28     -15.4086      1.00000
     29     -15.0963      1.00000
     30     -15.0929      1.00000
     31     -14.8546      1.00000
     32     -14.8467      1.00000
     33     -14.2897      1.00000
     34     -14.2571      1.00000
     35     -13.4359      1.00000
     36     -13.4036      1.00000
     37     -13.1770      1.00000
     38     -13.1734      1.00000
     39     -12.9817      1.00000
     40     -12.9768      1.00000
     41     -12.6126      1.00000
     42     -12.6092      1.00000
     43     -12.1971      1.00000
     44     -11.5757      1.00000
     45     -11.5425      1.00000
     46     -11.3102      1.00000
     47     -11.2877      1.00000
     48     -11.1412      1.00000
     49     -10.6740      1.00000
     50     -10.6598      1.00000
     51     -10.5484      1.00000
     52     -10.3226      1.00000
     53     -10.3171      1.00000
     54     -10.1706      1.00000
     55     -10.1140      1.00000
     56     -10.1117      1.00000
     57      -9.7977      1.00000
     58      -9.7639      1.00000
     59      -9.7510      1.00000
     60      -9.6997      1.00000
     61      -9.6969      1.00000
     62      -9.6614      1.00000
     63      -9.3538      1.00000
     64      -9.3507      1.00000
     65      -9.3150      1.00000
     66      -9.0398      1.00000
     67      -8.9616      1.00000
     68      -8.9487      1.00000
     69      -8.7984      1.00000
     70      -8.5935      1.00000
     71      -8.5582      1.00000
     72      -8.3968      1.00000
     73      -8.3647      1.00000
     74      -8.3234      1.00000
     75      -8.3055      1.00000
     76      -8.2579      1.00000
     77      -8.2572      1.00000
     78      -8.2358      1.00000
     79      -7.9078      1.00000
     80      -7.6498      1.00000
     81      -7.5394      1.00000
     82      -7.3856      1.00000
     83      -7.3482      1.00000
     84      -7.2301      1.00000
     85      -7.0975      1.00000
     86      -7.0370      1.00000
     87      -6.9341      1.00000
     88      -6.8444      1.00000
     89      -6.6116      1.00000
     90      -6.5578      1.00000
     91      -6.2690      1.00000
     92      -6.0412      1.00000
     93      -5.9506      1.00000
     94      -5.6613      1.00000
     95      -5.6216      1.00000
     96      -5.4586      1.00000
     97      -5.3181      1.00000
     98      -5.2779      1.00000
     99      -5.2134      1.00000
    100      -5.1931      1.00000
    101      -4.4968      1.00000
    102      -4.2010      1.00000
    103      -4.0537      1.00000
    104      -3.9875      1.00000
    105      -3.6892      1.00000
    106      -3.4889      1.00000
    107      -1.9448      0.00000
    108      -1.8975      0.00000
    109      -1.3356      0.00000
    110      -1.0847      0.00000
    111      -1.0582      0.00000
    112      -0.7993      0.00000
    113      -0.6785      0.00000
    114      -0.6460      0.00000
    115      -0.6063      0.00000
    116      -0.1093      0.00000
    117       0.2162      0.00000
    118       0.3283      0.00000
    119       0.6862      0.00000
    120       0.8784      0.00000
    121       1.1224      0.00000
    122       1.1990      0.00000
    123       1.3176      0.00000
    124       1.4081      0.00000
    125       1.5494      0.00000
    126       1.5750      0.00000
    127       1.6620      0.00000
    128       1.7912      0.00000
    129       1.8482      0.00000
    130       2.0307      0.00000
    131       2.0942      0.00000
    132       2.3072      0.00000
    133       2.3511      0.00000
    134       2.3786      0.00000
    135       2.5151      0.00000
    136       2.6134      0.00000
    137       2.7118      0.00000
    138       2.7228      0.00000
    139       2.7848      0.00000
    140       2.8514      0.00000
    141       3.0038      0.00000
    142       3.0425      0.00000
    143       3.1348      0.00000
    144       3.2394      0.00000
    145       3.3405      0.00000
    146       3.3878      0.00000
    147       3.4064      0.00000
    148       3.5309      0.00000
    149       3.5416      0.00000
    150       3.5765      0.00000
    151       3.6439      0.00000
    152       3.6573      0.00000
    153       3.7525      0.00000
    154       3.7676      0.00000
    155       3.7727      0.00000
    156       3.8621      0.00000
    157       3.8989      0.00000
    158       3.9617      0.00000
    159       4.1819      0.00000
    160       4.1952      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3172      1.00000
      2     -21.9623      1.00000
      3     -21.8949      1.00000
      4     -21.3811      1.00000
      5     -21.3521      1.00000
      6     -20.8391      1.00000
      7     -20.7755      1.00000
      8     -20.6244      1.00000
      9     -20.0776      1.00000
     10     -20.0720      1.00000
     11     -19.7172      1.00000
     12     -19.6926      1.00000
     13     -18.9963      1.00000
     14     -18.9905      1.00000
     15     -18.6408      1.00000
     16     -18.6248      1.00000
     17     -18.4620      1.00000
     18     -17.6742      1.00000
     19     -17.6246      1.00000
     20     -17.6219      1.00000
     21     -17.5810      1.00000
     22     -17.1263      1.00000
     23     -17.1047      1.00000
     24     -16.9616      1.00000
     25     -16.0012      1.00000
     26     -15.9296      1.00000
     27     -15.5855      1.00000
     28     -15.5852      1.00000
     29     -15.2865      1.00000
     30     -14.8637      1.00000
     31     -14.8365      1.00000
     32     -14.5780      1.00000
     33     -14.5372      1.00000
     34     -14.1678      1.00000
     35     -14.1552      1.00000
     36     -13.1474      1.00000
     37     -13.0999      1.00000
     38     -13.0297      1.00000
     39     -13.0190      1.00000
     40     -12.7084      1.00000
     41     -12.7043      1.00000
     42     -12.3407      1.00000
     43     -12.3105      1.00000
     44     -11.6356      1.00000
     45     -11.6217      1.00000
     46     -11.5716      1.00000
     47     -10.9484      1.00000
     48     -10.9164      1.00000
     49     -10.6293      1.00000
     50     -10.6238      1.00000
     51     -10.5448      1.00000
     52     -10.4989      1.00000
     53     -10.4988      1.00000
     54     -10.4390      1.00000
     55     -10.3597      1.00000
     56     -10.0984      1.00000
     57      -9.9040      1.00000
     58      -9.6074      1.00000
     59      -9.5561      1.00000
     60      -9.4526      1.00000
     61      -9.4113      1.00000
     62      -9.4040      1.00000
     63      -9.3768      1.00000
     64      -9.3767      1.00000
     65      -9.2861      1.00000
     66      -9.1683      1.00000
     67      -9.1425      1.00000
     68      -9.1135      1.00000
     69      -8.8639      1.00000
     70      -8.8565      1.00000
     71      -8.8147      1.00000
     72      -8.5972      1.00000
     73      -8.4797      1.00000
     74      -8.1982      1.00000
     75      -8.1632      1.00000
     76      -8.0117      1.00000
     77      -7.9554      1.00000
     78      -7.8499      1.00000
     79      -7.8394      1.00000
     80      -7.7052      1.00000
     81      -7.6953      1.00000
     82      -7.6241      1.00000
     83      -7.4436      1.00000
     84      -7.3045      1.00000
     85      -7.2438      1.00000
     86      -6.9051      1.00000
     87      -6.8922      1.00000
     88      -6.5883      1.00000
     89      -6.5494      1.00000
     90      -6.4053      1.00000
     91      -6.2527      1.00000
     92      -6.2315      1.00000
     93      -6.2047      1.00000
     94      -6.0215      1.00000
     95      -5.5479      1.00000
     96      -5.4868      1.00000
     97      -5.3471      1.00000
     98      -5.2195      1.00000
     99      -4.9780      1.00000
    100      -4.7268      1.00000
    101      -4.6759      1.00000
    102      -4.3809      1.00000
    103      -4.1964      1.00000
    104      -3.8622      1.00000
    105      -3.5447      1.00000
    106      -3.5002      1.00000
    107      -2.2569      0.00000
    108      -1.4536      0.00000
    109      -1.3718      0.00000
    110      -1.2416      0.00000
    111      -1.0961      0.00000
    112      -0.9444      0.00000
    113      -0.8632      0.00000
    114      -0.8026      0.00000
    115      -0.1411      0.00000
    116       0.1096      0.00000
    117       0.2410      0.00000
    118       0.3777      0.00000
    119       0.6434      0.00000
    120       0.8336      0.00000
    121       0.9372      0.00000
    122       1.0564      0.00000
    123       1.2249      0.00000
    124       1.4327      0.00000
    125       1.5279      0.00000
    126       1.7671      0.00000
    127       1.7830      0.00000
    128       1.8477      0.00000
    129       1.9467      0.00000
    130       2.0228      0.00000
    131       2.1561      0.00000
    132       2.1728      0.00000
    133       2.3898      0.00000
    134       2.4219      0.00000
    135       2.5074      0.00000
    136       2.6047      0.00000
    137       2.6341      0.00000
    138       2.6861      0.00000
    139       2.7317      0.00000
    140       2.8076      0.00000
    141       2.9270      0.00000
    142       3.0456      0.00000
    143       3.1750      0.00000
    144       3.1750      0.00000
    145       3.2175      0.00000
    146       3.2600      0.00000
    147       3.2921      0.00000
    148       3.4352      0.00000
    149       3.4771      0.00000
    150       3.6793      0.00000
    151       3.6925      0.00000
    152       3.7112      0.00000
    153       3.8460      0.00000
    154       3.8785      0.00000
    155       3.9002      0.00000
    156       3.9615      0.00000
    157       3.9848      0.00000
    158       4.0128      0.00000
    159       4.0220      0.00000
    160       4.0266      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2090      1.00000
      2     -22.1188      1.00000
      3     -21.9576      1.00000
      4     -21.4047      1.00000
      5     -21.0498      1.00000
      6     -21.0144      1.00000
      7     -20.5005      1.00000
      8     -20.4616      1.00000
      9     -20.2954      1.00000
     10     -20.2763      1.00000
     11     -19.9571      1.00000
     12     -19.8928      1.00000
     13     -18.8818      1.00000
     14     -18.8146      1.00000
     15     -18.3521      1.00000
     16     -18.3068      1.00000
     17     -18.1531      1.00000
     18     -18.1362      1.00000
     19     -17.8261      1.00000
     20     -17.7895      1.00000
     21     -17.2515      1.00000
     22     -17.2415      1.00000
     23     -17.1645      1.00000
     24     -17.1330      1.00000
     25     -16.1101      1.00000
     26     -15.8856      1.00000
     27     -15.8703      1.00000
     28     -15.8336      1.00000
     29     -15.2360      1.00000
     30     -14.5548      1.00000
     31     -14.5271      1.00000
     32     -14.2797      1.00000
     33     -13.9633      1.00000
     34     -13.9560      1.00000
     35     -13.8199      1.00000
     36     -13.8041      1.00000
     37     -13.6138      1.00000
     38     -13.5710      1.00000
     39     -13.3703      1.00000
     40     -12.6344      1.00000
     41     -12.1800      1.00000
     42     -12.1331      1.00000
     43     -12.0714      1.00000
     44     -12.0204      1.00000
     45     -11.6688      1.00000
     46     -11.6558      1.00000
     47     -11.1381      1.00000
     48     -11.1180      1.00000
     49     -10.7937      1.00000
     50     -10.7315      1.00000
     51     -10.5224      1.00000
     52     -10.2081      1.00000
     53     -10.2050      1.00000
     54     -10.1653      1.00000
     55     -10.0174      1.00000
     56     -10.0045      1.00000
     57      -9.9904      1.00000
     58      -9.8012      1.00000
     59      -9.7972      1.00000
     60      -9.7618      1.00000
     61      -9.7569      1.00000
     62      -9.4542      1.00000
     63      -9.4161      1.00000
     64      -9.0786      1.00000
     65      -9.0720      1.00000
     66      -9.0410      1.00000
     67      -8.9544      1.00000
     68      -8.8766      1.00000
     69      -8.7115      1.00000
     70      -8.6996      1.00000
     71      -8.5656      1.00000
     72      -8.5425      1.00000
     73      -8.4984      1.00000
     74      -8.4621      1.00000
     75      -8.4536      1.00000
     76      -8.2583      1.00000
     77      -8.1255      1.00000
     78      -8.0425      1.00000
     79      -7.9151      1.00000
     80      -7.8609      1.00000
     81      -7.6160      1.00000
     82      -7.5473      1.00000
     83      -7.4930      1.00000
     84      -7.2569      1.00000
     85      -6.9942      1.00000
     86      -6.9223      1.00000
     87      -6.8815      1.00000
     88      -6.5313      1.00000
     89      -6.4868      1.00000
     90      -6.4594      1.00000
     91      -6.4099      1.00000
     92      -5.9810      1.00000
     93      -5.8958      1.00000
     94      -5.7838      1.00000
     95      -5.7589      1.00000
     96      -5.4279      1.00000
     97      -5.3273      1.00000
     98      -5.2299      1.00000
     99      -5.2168      1.00000
    100      -5.1875      1.00000
    101      -4.6877      1.00000
    102      -4.4134      1.00000
    103      -4.2027      1.00000
    104      -3.8243      1.00000
    105      -3.5194      1.00000
    106      -3.2735      1.00000
    107      -2.5313      0.00000
    108      -1.4550      0.00000
    109      -1.2669      0.00000
    110      -1.2029      0.00000
    111      -1.1721      0.00000
    112      -0.7187      0.00000
    113      -0.5034      0.00000
    114      -0.4120      0.00000
    115      -0.3387      0.00000
    116      -0.1458      0.00000
    117      -0.0020      0.00000
    118       0.1924      0.00000
    119       0.5596      0.00000
    120       0.6128      0.00000
    121       0.7897      0.00000
    122       0.8970      0.00000
    123       1.1225      0.00000
    124       1.4744      0.00000
    125       1.6174      0.00000
    126       1.8181      0.00000
    127       1.9064      0.00000
    128       2.0840      0.00000
    129       2.0993      0.00000
    130       2.1136      0.00000
    131       2.1732      0.00000
    132       2.2798      0.00000
    133       2.3119      0.00000
    134       2.4547      0.00000
    135       2.5661      0.00000
    136       2.6377      0.00000
    137       2.8371      0.00000
    138       2.8692      0.00000
    139       2.8854      0.00000
    140       2.9529      0.00000
    141       2.9802      0.00000
    142       3.1261      0.00000
    143       3.1457      0.00000
    144       3.1902      0.00000
    145       3.2575      0.00000
    146       3.2741      0.00000
    147       3.2964      0.00000
    148       3.3383      0.00000
    149       3.3971      0.00000
    150       3.4170      0.00000
    151       3.5160      0.00000
    152       3.5948      0.00000
    153       3.6710      0.00000
    154       3.6911      0.00000
    155       3.7532      0.00000
    156       3.8820      0.00000
    157       3.8946      0.00000
    158       3.9763      0.00000
    159       4.1019      0.00000
    160       4.1880      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9639      1.00000
      3     -21.8934      1.00000
      4     -21.3847      1.00000
      5     -21.3487      1.00000
      6     -20.8391      1.00000
      7     -20.7742      1.00000
      8     -20.6251      1.00000
      9     -20.0893      1.00000
     10     -20.0612      1.00000
     11     -19.7187      1.00000
     12     -19.6900      1.00000
     13     -19.0094      1.00000
     14     -18.9789      1.00000
     15     -18.6495      1.00000
     16     -18.6175      1.00000
     17     -18.4606      1.00000
     18     -17.6597      1.00000
     19     -17.6463      1.00000
     20     -17.6105      1.00000
     21     -17.5785      1.00000
     22     -17.1363      1.00000
     23     -17.0975      1.00000
     24     -16.9658      1.00000
     25     -16.0077      1.00000
     26     -15.9230      1.00000
     27     -15.5986      1.00000
     28     -15.5754      1.00000
     29     -15.2793      1.00000
     30     -14.8760      1.00000
     31     -14.8299      1.00000
     32     -14.5739      1.00000
     33     -14.5368      1.00000
     34     -14.1634      1.00000
     35     -14.1594      1.00000
     36     -13.1615      1.00000
     37     -13.0956      1.00000
     38     -13.0232      1.00000
     39     -13.0179      1.00000
     40     -12.7172      1.00000
     41     -12.6943      1.00000
     42     -12.3401      1.00000
     43     -12.3137      1.00000
     44     -11.6306      1.00000
     45     -11.6217      1.00000
     46     -11.5699      1.00000
     47     -10.9401      1.00000
     48     -10.9223      1.00000
     49     -10.6643      1.00000
     50     -10.5900      1.00000
     51     -10.5718      1.00000
     52     -10.5005      1.00000
     53     -10.4876      1.00000
     54     -10.4385      1.00000
     55     -10.3557      1.00000
     56     -10.1025      1.00000
     57      -9.8983      1.00000
     58      -9.6074      1.00000
     59      -9.5515      1.00000
     60      -9.4529      1.00000
     61      -9.4174      1.00000
     62      -9.4086      1.00000
     63      -9.3800      1.00000
     64      -9.3713      1.00000
     65      -9.2670      1.00000
     66      -9.1639      1.00000
     67      -9.1402      1.00000
     68      -9.1153      1.00000
     69      -8.8653      1.00000
     70      -8.8595      1.00000
     71      -8.8017      1.00000
     72      -8.5962      1.00000
     73      -8.5244      1.00000
     74      -8.1924      1.00000
     75      -8.1700      1.00000
     76      -8.0777      1.00000
     77      -7.8576      1.00000
     78      -7.8361      1.00000
     79      -7.8196      1.00000
     80      -7.7096      1.00000
     81      -7.6957      1.00000
     82      -7.6008      1.00000
     83      -7.5214      1.00000
     84      -7.3511      1.00000
     85      -7.1617      1.00000
     86      -6.9045      1.00000
     87      -6.8946      1.00000
     88      -6.5922      1.00000
     89      -6.5499      1.00000
     90      -6.4051      1.00000
     91      -6.3012      1.00000
     92      -6.2471      1.00000
     93      -6.1999      1.00000
     94      -6.0023      1.00000
     95      -5.5292      1.00000
     96      -5.4642      1.00000
     97      -5.3115      1.00000
     98      -5.2091      1.00000
     99      -5.0430      1.00000
    100      -4.7203      1.00000
    101      -4.6691      1.00000
    102      -4.4154      1.00000
    103      -4.1889      1.00000
    104      -3.8336      1.00000
    105      -3.6293      1.00000
    106      -3.4116      1.00000
    107      -2.2915      0.00000
    108      -1.5069      0.00000
    109      -1.2696      0.00000
    110      -1.2624      0.00000
    111      -1.0331      0.00000
    112      -0.9783      0.00000
    113      -0.8679      0.00000
    114      -0.7995      0.00000
    115      -0.2623      0.00000
    116       0.2049      0.00000
    117       0.2400      0.00000
    118       0.3585      0.00000
    119       0.6821      0.00000
    120       0.8934      0.00000
    121       0.9233      0.00000
    122       1.0339      0.00000
    123       1.1566      0.00000
    124       1.4977      0.00000
    125       1.5376      0.00000
    126       1.6906      0.00000
    127       1.7768      0.00000
    128       1.8219      0.00000
    129       1.9434      0.00000
    130       1.9605      0.00000
    131       2.1618      0.00000
    132       2.2358      0.00000
    133       2.3942      0.00000
    134       2.4278      0.00000
    135       2.5053      0.00000
    136       2.5984      0.00000
    137       2.6188      0.00000
    138       2.6882      0.00000
    139       2.7141      0.00000
    140       2.8309      0.00000
    141       3.0192      0.00000
    142       3.0458      0.00000
    143       3.1592      0.00000
    144       3.2062      0.00000
    145       3.2198      0.00000
    146       3.2544      0.00000
    147       3.3033      0.00000
    148       3.4210      0.00000
    149       3.4983      0.00000
    150       3.6805      0.00000
    151       3.7110      0.00000
    152       3.7161      0.00000
    153       3.8075      0.00000
    154       3.8560      0.00000
    155       3.8970      0.00000
    156       3.9519      0.00000
    157       3.9903      0.00000
    158       4.0055      0.00000
    159       4.0143      0.00000
    160       4.0638      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3894      1.00000
      2     -21.8304      1.00000
      3     -21.6417      1.00000
      4     -21.6072      1.00000
      5     -21.2785      1.00000
      6     -21.2326      1.00000
      7     -21.0572      1.00000
      8     -20.1710      1.00000
      9     -20.1259      1.00000
     10     -19.6165      1.00000
     11     -19.5911      1.00000
     12     -19.4158      1.00000
     13     -19.0942      1.00000
     14     -19.0557      1.00000
     15     -19.0525      1.00000
     16     -19.0386      1.00000
     17     -18.3665      1.00000
     18     -18.3473      1.00000
     19     -18.0166      1.00000
     20     -17.0707      1.00000
     21     -17.0236      1.00000
     22     -16.9495      1.00000
     23     -16.9360      1.00000
     24     -16.4740      1.00000
     25     -16.4627      1.00000
     26     -15.6093      1.00000
     27     -15.6085      1.00000
     28     -15.2492      1.00000
     29     -15.2374      1.00000
     30     -15.1905      1.00000
     31     -15.1024      1.00000
     32     -15.0679      1.00000
     33     -14.6979      1.00000
     34     -14.6969      1.00000
     35     -13.7244      1.00000
     36     -13.7243      1.00000
     37     -13.2348      1.00000
     38     -12.6237      1.00000
     39     -12.5789      1.00000
     40     -12.4546      1.00000
     41     -12.4493      1.00000
     42     -12.1043      1.00000
     43     -12.0993      1.00000
     44     -11.7205      1.00000
     45     -11.6828      1.00000
     46     -11.2449      1.00000
     47     -11.2233      1.00000
     48     -11.0170      1.00000
     49     -11.0057      1.00000
     50     -10.9269      1.00000
     51     -10.8989      1.00000
     52     -10.6325      1.00000
     53     -10.1719      1.00000
     54     -10.1492      1.00000
     55     -10.0843      1.00000
     56      -9.9889      1.00000
     57      -9.6950      1.00000
     58      -9.6885      1.00000
     59      -9.6712      1.00000
     60      -9.5913      1.00000
     61      -9.5678      1.00000
     62      -9.5521      1.00000
     63      -9.3119      1.00000
     64      -9.2997      1.00000
     65      -9.2813      1.00000
     66      -9.2422      1.00000
     67      -9.1221      1.00000
     68      -9.1118      1.00000
     69      -9.1109      1.00000
     70      -8.9396      1.00000
     71      -8.8747      1.00000
     72      -8.6027      1.00000
     73      -8.5863      1.00000
     74      -8.2708      1.00000
     75      -8.1002      1.00000
     76      -7.8668      1.00000
     77      -7.8434      1.00000
     78      -7.7895      1.00000
     79      -7.7643      1.00000
     80      -7.7542      1.00000
     81      -7.4354      1.00000
     82      -7.3348      1.00000
     83      -7.3213      1.00000
     84      -7.2650      1.00000
     85      -7.1655      1.00000
     86      -7.0139      1.00000
     87      -6.9842      1.00000
     88      -6.7167      1.00000
     89      -6.6915      1.00000
     90      -6.6310      1.00000
     91      -6.5881      1.00000
     92      -6.1168      1.00000
     93      -6.0580      1.00000
     94      -6.0437      1.00000
     95      -6.0271      1.00000
     96      -5.7469      1.00000
     97      -4.9668      1.00000
     98      -4.8367      1.00000
     99      -4.7076      1.00000
    100      -4.6730      1.00000
    101      -4.4761      1.00000
    102      -4.3441      1.00000
    103      -4.1099      1.00000
    104      -4.0529      1.00000
    105      -3.7480      1.00000
    106      -3.4573      1.00000
    107      -1.9483      0.00000
    108      -1.7705      0.00000
    109      -1.4800      0.00000
    110      -1.3544      0.00000
    111      -1.3370      0.00000
    112      -1.2913      0.00000
    113      -0.6791      0.00000
    114      -0.4709      0.00000
    115      -0.2343      0.00000
    116       0.0497      0.00000
    117       0.5776      0.00000
    118       0.6940      0.00000
    119       0.7688      0.00000
    120       1.0177      0.00000
    121       1.0981      0.00000
    122       1.1706      0.00000
    123       1.2461      0.00000
    124       1.3291      0.00000
    125       1.4210      0.00000
    126       1.5688      0.00000
    127       1.7383      0.00000
    128       1.8385      0.00000
    129       1.8580      0.00000
    130       1.8837      0.00000
    131       2.0288      0.00000
    132       2.2027      0.00000
    133       2.2130      0.00000
    134       2.2587      0.00000
    135       2.4593      0.00000
    136       2.5751      0.00000
    137       2.6156      0.00000
    138       2.7247      0.00000
    139       2.7455      0.00000
    140       2.8337      0.00000
    141       2.8368      0.00000
    142       2.8397      0.00000
    143       2.9183      0.00000
    144       3.0521      0.00000
    145       3.2674      0.00000
    146       3.3330      0.00000
    147       3.3646      0.00000
    148       3.3863      0.00000
    149       3.3927      0.00000
    150       3.5413      0.00000
    151       3.6094      0.00000
    152       3.6316      0.00000
    153       3.7033      0.00000
    154       3.8721      0.00000
    155       3.8875      0.00000
    156       3.9224      0.00000
    157       4.0787      0.00000
    158       4.1660      0.00000
    159       4.1965      0.00000
    160       4.2557      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1202      1.00000
      3     -21.9573      1.00000
      4     -21.4048      1.00000
      5     -21.0461      1.00000
      6     -21.0180      1.00000
      7     -20.4957      1.00000
      8     -20.4662      1.00000
      9     -20.2869      1.00000
     10     -20.2845      1.00000
     11     -19.9559      1.00000
     12     -19.8945      1.00000
     13     -18.8823      1.00000
     14     -18.8166      1.00000
     15     -18.3374      1.00000
     16     -18.3180      1.00000
     17     -18.1493      1.00000
     18     -18.1415      1.00000
     19     -17.8157      1.00000
     20     -17.7972      1.00000
     21     -17.2576      1.00000
     22     -17.2381      1.00000
     23     -17.1597      1.00000
     24     -17.1355      1.00000
     25     -16.1166      1.00000
     26     -15.8803      1.00000
     27     -15.8692      1.00000
     28     -15.8398      1.00000
     29     -15.2302      1.00000
     30     -14.5504      1.00000
     31     -14.5320      1.00000
     32     -14.2749      1.00000
     33     -13.9744      1.00000
     34     -13.9513      1.00000
     35     -13.8232      1.00000
     36     -13.8025      1.00000
     37     -13.6034      1.00000
     38     -13.5780      1.00000
     39     -13.3706      1.00000
     40     -12.6386      1.00000
     41     -12.1680      1.00000
     42     -12.1417      1.00000
     43     -12.0671      1.00000
     44     -12.0214      1.00000
     45     -11.6642      1.00000
     46     -11.6595      1.00000
     47     -11.1357      1.00000
     48     -11.1248      1.00000
     49     -10.7890      1.00000
     50     -10.7342      1.00000
     51     -10.5294      1.00000
     52     -10.2074      1.00000
     53     -10.2015      1.00000
     54     -10.1709      1.00000
     55     -10.0219      1.00000
     56      -9.9942      1.00000
     57      -9.9901      1.00000
     58      -9.8055      1.00000
     59      -9.7954      1.00000
     60      -9.7638      1.00000
     61      -9.7561      1.00000
     62      -9.4536      1.00000
     63      -9.4160      1.00000
     64      -9.0838      1.00000
     65      -9.0458      1.00000
     66      -9.0251      1.00000
     67      -8.9684      1.00000
     68      -8.8959      1.00000
     69      -8.7075      1.00000
     70      -8.6984      1.00000
     71      -8.5593      1.00000
     72      -8.5484      1.00000
     73      -8.4784      1.00000
     74      -8.4590      1.00000
     75      -8.4558      1.00000
     76      -8.3042      1.00000
     77      -8.0932      1.00000
     78      -8.0909      1.00000
     79      -7.9267      1.00000
     80      -7.8319      1.00000
     81      -7.6004      1.00000
     82      -7.5356      1.00000
     83      -7.4509      1.00000
     84      -7.2973      1.00000
     85      -6.9916      1.00000
     86      -6.9192      1.00000
     87      -6.8820      1.00000
     88      -6.5268      1.00000
     89      -6.5141      1.00000
     90      -6.4796      1.00000
     91      -6.4204      1.00000
     92      -5.9242      1.00000
     93      -5.9032      1.00000
     94      -5.7885      1.00000
     95      -5.7736      1.00000
     96      -5.3666      1.00000
     97      -5.3596      1.00000
     98      -5.2195      1.00000
     99      -5.2153      1.00000
    100      -5.1978      1.00000
    101      -4.7163      1.00000
    102      -4.4325      1.00000
    103      -4.1852      1.00000
    104      -3.8104      1.00000
    105      -3.5566      1.00000
    106      -3.2213      1.00000
    107      -2.5614      0.00000
    108      -1.4600      0.00000
    109      -1.2682      0.00000
    110      -1.1845      0.00000
    111      -1.1831      0.00000
    112      -0.6439      0.00000
    113      -0.5523      0.00000
    114      -0.4146      0.00000
    115      -0.3468      0.00000
    116      -0.0780      0.00000
    117      -0.0634      0.00000
    118       0.1254      0.00000
    119       0.5939      0.00000
    120       0.6263      0.00000
    121       0.8456      0.00000
    122       0.9762      0.00000
    123       0.9953      0.00000
    124       1.4822      0.00000
    125       1.6649      0.00000
    126       1.7337      0.00000
    127       1.8304      0.00000
    128       2.0834      0.00000
    129       2.1078      0.00000
    130       2.1714      0.00000
    131       2.2112      0.00000
    132       2.2491      0.00000
    133       2.3286      0.00000
    134       2.4854      0.00000
    135       2.4920      0.00000
    136       2.6402      0.00000
    137       2.8531      0.00000
    138       2.8564      0.00000
    139       2.9354      0.00000
    140       2.9381      0.00000
    141       2.9906      0.00000
    142       3.1244      0.00000
    143       3.1594      0.00000
    144       3.1977      0.00000
    145       3.2346      0.00000
    146       3.2718      0.00000
    147       3.2984      0.00000
    148       3.3455      0.00000
    149       3.3830      0.00000
    150       3.5190      0.00000
    151       3.5470      0.00000
    152       3.6266      0.00000
    153       3.6309      0.00000
    154       3.6695      0.00000
    155       3.6884      0.00000
    156       3.8888      0.00000
    157       3.9102      0.00000
    158       4.0030      0.00000
    159       4.0490      0.00000
    160       4.1512      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0790      1.00000
      3     -21.7203      1.00000
      4     -21.6818      1.00000
      5     -20.9824      1.00000
      6     -20.9357      1.00000
      7     -20.6108      1.00000
      8     -20.5797      1.00000
      9     -20.5662      1.00000
     10     -20.0325      1.00000
     11     -19.5126      1.00000
     12     -19.4835      1.00000
     13     -19.3116      1.00000
     14     -19.2988      1.00000
     15     -18.4489      1.00000
     16     -18.4068      1.00000
     17     -17.9271      1.00000
     18     -17.9074      1.00000
     19     -17.7650      1.00000
     20     -17.7211      1.00000
     21     -17.4413      1.00000
     22     -17.4233      1.00000
     23     -17.3378      1.00000
     24     -16.4703      1.00000
     25     -16.4605      1.00000
     26     -15.9703      1.00000
     27     -15.4105      1.00000
     28     -15.4097      1.00000
     29     -15.0955      1.00000
     30     -15.0924      1.00000
     31     -14.8522      1.00000
     32     -14.8403      1.00000
     33     -14.2977      1.00000
     34     -14.2534      1.00000
     35     -13.4440      1.00000
     36     -13.3995      1.00000
     37     -13.1744      1.00000
     38     -13.1730      1.00000
     39     -12.9856      1.00000
     40     -12.9768      1.00000
     41     -12.6100      1.00000
     42     -12.6079      1.00000
     43     -12.1962      1.00000
     44     -11.5783      1.00000
     45     -11.5382      1.00000
     46     -11.3126      1.00000
     47     -11.2830      1.00000
     48     -11.1411      1.00000
     49     -10.6906      1.00000
     50     -10.6615      1.00000
     51     -10.5433      1.00000
     52     -10.3213      1.00000
     53     -10.3142      1.00000
     54     -10.1753      1.00000
     55     -10.1197      1.00000
     56     -10.1079      1.00000
     57      -9.8109      1.00000
     58      -9.7516      1.00000
     59      -9.7508      1.00000
     60      -9.7021      1.00000
     61      -9.6983      1.00000
     62      -9.6465      1.00000
     63      -9.3520      1.00000
     64      -9.3509      1.00000
     65      -9.3172      1.00000
     66      -9.0266      1.00000
     67      -8.9603      1.00000
     68      -8.9571      1.00000
     69      -8.7753      1.00000
     70      -8.5910      1.00000
     71      -8.5849      1.00000
     72      -8.4224      1.00000
     73      -8.3491      1.00000
     74      -8.3205      1.00000
     75      -8.3025      1.00000
     76      -8.2646      1.00000
     77      -8.2537      1.00000
     78      -8.2384      1.00000
     79      -7.9245      1.00000
     80      -7.7344      1.00000
     81      -7.3789      1.00000
     82      -7.3483      1.00000
     83      -7.3086      1.00000
     84      -7.2164      1.00000
     85      -7.1587      1.00000
     86      -7.0674      1.00000
     87      -6.9601      1.00000
     88      -6.9065      1.00000
     89      -6.6124      1.00000
     90      -6.5558      1.00000
     91      -6.2700      1.00000
     92      -5.9939      1.00000
     93      -5.9585      1.00000
     94      -5.6734      1.00000
     95      -5.6470      1.00000
     96      -5.3838      1.00000
     97      -5.3136      1.00000
     98      -5.2922      1.00000
     99      -5.2115      1.00000
    100      -5.1999      1.00000
    101      -4.5008      1.00000
    102      -4.3298      1.00000
    103      -3.9939      1.00000
    104      -3.8834      1.00000
    105      -3.7858      1.00000
    106      -3.4362      1.00000
    107      -2.0323      0.00000
    108      -1.8628      0.00000
    109      -1.2159      0.00000
    110      -1.1848      0.00000
    111      -1.0349      0.00000
    112      -0.7714      0.00000
    113      -0.6794      0.00000
    114      -0.6584      0.00000
    115      -0.6085      0.00000
    116      -0.1041      0.00000
    117       0.2240      0.00000
    118       0.2381      0.00000
    119       0.7598      0.00000
    120       0.9753      0.00000
    121       1.0732      0.00000
    122       1.2387      0.00000
    123       1.2494      0.00000
    124       1.3299      0.00000
    125       1.5694      0.00000
    126       1.5858      0.00000
    127       1.6801      0.00000
    128       1.7683      0.00000
    129       1.9288      0.00000
    130       1.9311      0.00000
    131       2.0548      0.00000
    132       2.2701      0.00000
    133       2.3364      0.00000
    134       2.4032      0.00000
    135       2.5096      0.00000
    136       2.6103      0.00000
    137       2.7323      0.00000
    138       2.7867      0.00000
    139       2.8303      0.00000
    140       2.8357      0.00000
    141       2.9997      0.00000
    142       3.0854      0.00000
    143       3.1300      0.00000
    144       3.1875      0.00000
    145       3.3503      0.00000
    146       3.3998      0.00000
    147       3.4674      0.00000
    148       3.4965      0.00000
    149       3.5792      0.00000
    150       3.5841      0.00000
    151       3.6139      0.00000
    152       3.7207      0.00000
    153       3.7217      0.00000
    154       3.7437      0.00000
    155       3.7802      0.00000
    156       3.8480      0.00000
    157       3.9904      0.00000
    158       4.0672      0.00000
    159       4.1435      0.00000
    160       4.1748      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4262      1.00000
      2     -21.6007      1.00000
      3     -21.4813      1.00000
      4     -21.4725      1.00000
      5     -21.4420      1.00000
      6     -21.4414      1.00000
      7     -21.4312      1.00000
      8     -19.7060      1.00000
      9     -19.6521      1.00000
     10     -19.6296      1.00000
     11     -19.6187      1.00000
     12     -19.6135      1.00000
     13     -19.6125      1.00000
     14     -18.7891      1.00000
     15     -18.7546      1.00000
     16     -18.7347      1.00000
     17     -18.7260      1.00000
     18     -18.7181      1.00000
     19     -18.7130      1.00000
     20     -16.6328      1.00000
     21     -16.6073      1.00000
     22     -16.5852      1.00000
     23     -16.5809      1.00000
     24     -16.5542      1.00000
     25     -16.5528      1.00000
     26     -15.6151      1.00000
     27     -15.6019      1.00000
     28     -15.5979      1.00000
     29     -15.5646      1.00000
     30     -15.5627      1.00000
     31     -15.5612      1.00000
     32     -14.2590      1.00000
     33     -14.2498      1.00000
     34     -14.2401      1.00000
     35     -14.2352      1.00000
     36     -14.2219      1.00000
     37     -14.2196      1.00000
     38     -11.9052      1.00000
     39     -11.8784      1.00000
     40     -11.8666      1.00000
     41     -11.8633      1.00000
     42     -11.8437      1.00000
     43     -11.8436      1.00000
     44     -11.7702      1.00000
     45     -11.7677      1.00000
     46     -11.7356      1.00000
     47     -11.7291      1.00000
     48     -11.7248      1.00000
     49     -11.7225      1.00000
     50     -10.6721      1.00000
     51     -10.3876      1.00000
     52     -10.3831      1.00000
     53     -10.3755      1.00000
     54     -10.3685      1.00000
     55     -10.3555      1.00000
     56     -10.3530      1.00000
     57      -9.9002      1.00000
     58      -9.4481      1.00000
     59      -9.4049      1.00000
     60      -9.3632      1.00000
     61      -9.3625      1.00000
     62      -9.3548      1.00000
     63      -9.1411      1.00000
     64      -9.1207      1.00000
     65      -9.1195      1.00000
     66      -9.0844      1.00000
     67      -9.0716      1.00000
     68      -9.0709      1.00000
     69      -9.0690      1.00000
     70      -9.0639      1.00000
     71      -9.0630      1.00000
     72      -9.0367      1.00000
     73      -9.0282      1.00000
     74      -9.0261      1.00000
     75      -8.1354      1.00000
     76      -7.7284      1.00000
     77      -7.4684      1.00000
     78      -7.4664      1.00000
     79      -7.4525      1.00000
     80      -7.4329      1.00000
     81      -7.4249      1.00000
     82      -7.4053      1.00000
     83      -7.3110      1.00000
     84      -7.2698      1.00000
     85      -7.2567      1.00000
     86      -7.2485      1.00000
     87      -7.1557      1.00000
     88      -7.0428      1.00000
     89      -6.4459      1.00000
     90      -6.4140      1.00000
     91      -6.3998      1.00000
     92      -6.3629      1.00000
     93      -6.3524      1.00000
     94      -6.3390      1.00000
     95      -5.9574      1.00000
     96      -5.9572      1.00000
     97      -4.7939      1.00000
     98      -4.5392      1.00000
     99      -4.4789      1.00000
    100      -4.4700      1.00000
    101      -4.3820      1.00000
    102      -4.3815      1.00000
    103      -4.2638      1.00000
    104      -4.1827      1.00000
    105      -3.7323      1.00000
    106      -3.4688      1.00000
    107      -1.8592      0.00000
    108      -1.6735      0.00000
    109      -1.6223      0.00000
    110      -1.5904      0.00000
    111      -1.5753      0.00000
    112      -1.5744      0.00000
    113      -0.4282      0.00000
    114       0.1435      0.00000
    115       0.1934      0.00000
    116       0.2570      0.00000
    117       0.2678      0.00000
    118       0.2719      0.00000
    119       0.4750      0.00000
    120       0.5385      0.00000
    121       1.2307      0.00000
    122       1.2861      0.00000
    123       1.4989      0.00000
    124       1.7645      0.00000
    125       1.7668      0.00000
    126       1.7669      0.00000
    127       1.7748      0.00000
    128       1.8278      0.00000
    129       1.9599      0.00000
    130       1.9653      0.00000
    131       1.9757      0.00000
    132       1.9901      0.00000
    133       1.9980      0.00000
    134       2.0677      0.00000
    135       2.2294      0.00000
    136       2.3236      0.00000
    137       2.5793      0.00000
    138       2.5797      0.00000
    139       2.6034      0.00000
    140       2.6512      0.00000
    141       2.9180      0.00000
    142       3.0107      0.00000
    143       3.0326      0.00000
    144       3.0591      0.00000
    145       3.0597      0.00000
    146       3.0635      0.00000
    147       3.0654      0.00000
    148       3.2355      0.00000
    149       3.4126      0.00000
    150       3.4743      0.00000
    151       3.7863      0.00000
    152       3.8846      0.00000
    153       3.8868      0.00000
    154       3.8881      0.00000
    155       3.9291      0.00000
    156       3.9771      0.00000
    157       4.1584      0.00000
    158       4.2488      0.00000
    159       4.2553      0.00000
    160       4.2760      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3895      1.00000
      2     -21.8301      1.00000
      3     -21.6386      1.00000
      4     -21.6110      1.00000
      5     -21.2744      1.00000
      6     -21.2359      1.00000
      7     -21.0576      1.00000
      8     -20.1673      1.00000
      9     -20.1299      1.00000
     10     -19.6084      1.00000
     11     -19.5975      1.00000
     12     -19.4174      1.00000
     13     -19.0889      1.00000
     14     -19.0603      1.00000
     15     -19.0493      1.00000
     16     -19.0414      1.00000
     17     -18.3606      1.00000
     18     -18.3522      1.00000
     19     -18.0189      1.00000
     20     -17.0680      1.00000
     21     -17.0301      1.00000
     22     -16.9440      1.00000
     23     -16.9398      1.00000
     24     -16.4673      1.00000
     25     -16.4629      1.00000
     26     -15.6139      1.00000
     27     -15.6071      1.00000
     28     -15.2523      1.00000
     29     -15.2430      1.00000
     30     -15.1843      1.00000
     31     -15.0977      1.00000
     32     -15.0709      1.00000
     33     -14.6983      1.00000
     34     -14.6961      1.00000
     35     -13.7261      1.00000
     36     -13.7234      1.00000
     37     -13.2352      1.00000
     38     -12.6133      1.00000
     39     -12.5833      1.00000
     40     -12.4540      1.00000
     41     -12.4503      1.00000
     42     -12.1087      1.00000
     43     -12.1039      1.00000
     44     -11.7166      1.00000
     45     -11.6861      1.00000
     46     -11.2344      1.00000
     47     -11.2250      1.00000
     48     -11.0171      1.00000
     49     -11.0094      1.00000
     50     -10.9261      1.00000
     51     -10.9049      1.00000
     52     -10.6264      1.00000
     53     -10.1541      1.00000
     54     -10.1504      1.00000
     55     -10.0913      1.00000
     56      -9.9962      1.00000
     57      -9.7025      1.00000
     58      -9.6941      1.00000
     59      -9.6561      1.00000
     60      -9.5910      1.00000
     61      -9.5758      1.00000
     62      -9.5582      1.00000
     63      -9.3062      1.00000
     64      -9.3030      1.00000
     65      -9.2733      1.00000
     66      -9.2356      1.00000
     67      -9.1362      1.00000
     68      -9.1147      1.00000
     69      -9.1108      1.00000
     70      -8.9400      1.00000
     71      -8.8716      1.00000
     72      -8.6033      1.00000
     73      -8.5902      1.00000
     74      -8.2380      1.00000
     75      -8.0997      1.00000
     76      -7.9080      1.00000
     77      -7.8629      1.00000
     78      -7.7710      1.00000
     79      -7.7563      1.00000
     80      -7.6945      1.00000
     81      -7.5506      1.00000
     82      -7.3382      1.00000
     83      -7.3217      1.00000
     84      -7.2048      1.00000
     85      -7.1203      1.00000
     86      -7.0314      1.00000
     87      -7.0114      1.00000
     88      -6.7037      1.00000
     89      -6.6778      1.00000
     90      -6.6404      1.00000
     91      -6.5959      1.00000
     92      -6.1149      1.00000
     93      -6.0613      1.00000
     94      -6.0301      1.00000
     95      -6.0103      1.00000
     96      -5.7819      1.00000
     97      -4.9665      1.00000
     98      -4.8297      1.00000
     99      -4.7453      1.00000
    100      -4.6782      1.00000
    101      -4.4601      1.00000
    102      -4.1975      1.00000
    103      -4.1689      1.00000
    104      -4.1260      1.00000
    105      -3.7231      1.00000
    106      -3.4787      1.00000
    107      -1.8686      0.00000
    108      -1.8100      0.00000
    109      -1.5223      0.00000
    110      -1.3775      0.00000
    111      -1.3210      0.00000
    112      -1.2873      0.00000
    113      -0.7187      0.00000
    114      -0.3756      0.00000
    115      -0.2503      0.00000
    116       0.0352      0.00000
    117       0.5473      0.00000
    118       0.6962      0.00000
    119       0.7463      0.00000
    120       1.0449      0.00000
    121       1.1007      0.00000
    122       1.1450      0.00000
    123       1.2249      0.00000
    124       1.3675      0.00000
    125       1.5063      0.00000
    126       1.5593      0.00000
    127       1.7043      0.00000
    128       1.7909      0.00000
    129       1.8543      0.00000
    130       1.8802      0.00000
    131       2.0813      0.00000
    132       2.1697      0.00000
    133       2.2275      0.00000
    134       2.2798      0.00000
    135       2.4875      0.00000
    136       2.5597      0.00000
    137       2.6010      0.00000
    138       2.7419      0.00000
    139       2.7799      0.00000
    140       2.8218      0.00000
    141       2.8262      0.00000
    142       2.8712      0.00000
    143       2.9166      0.00000
    144       3.0476      0.00000
    145       3.1291      0.00000
    146       3.2698      0.00000
    147       3.3477      0.00000
    148       3.3976      0.00000
    149       3.4309      0.00000
    150       3.5660      0.00000
    151       3.6196      0.00000
    152       3.6221      0.00000
    153       3.6781      0.00000
    154       3.8635      0.00000
    155       3.9246      0.00000
    156       3.9904      0.00000
    157       4.0387      0.00000
    158       4.1795      0.00000
    159       4.2164      0.00000
    160       4.2459      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2830      1.00000
      2     -22.0784      1.00000
      3     -21.7169      1.00000
      4     -21.6855      1.00000
      5     -20.9791      1.00000
      6     -20.9395      1.00000
      7     -20.6116      1.00000
      8     -20.5756      1.00000
      9     -20.5696      1.00000
     10     -20.0329      1.00000
     11     -19.5032      1.00000
     12     -19.4915      1.00000
     13     -19.3071      1.00000
     14     -19.3019      1.00000
     15     -18.4471      1.00000
     16     -18.4111      1.00000
     17     -17.9221      1.00000
     18     -17.9128      1.00000
     19     -17.7608      1.00000
     20     -17.7259      1.00000
     21     -17.4358      1.00000
     22     -17.4284      1.00000
     23     -17.3407      1.00000
     24     -16.4624      1.00000
     25     -16.4613      1.00000
     26     -15.9669      1.00000
     27     -15.4139      1.00000
     28     -15.4086      1.00000
     29     -15.0963      1.00000
     30     -15.0929      1.00000
     31     -14.8546      1.00000
     32     -14.8467      1.00000
     33     -14.2897      1.00000
     34     -14.2571      1.00000
     35     -13.4359      1.00000
     36     -13.4036      1.00000
     37     -13.1770      1.00000
     38     -13.1734      1.00000
     39     -12.9817      1.00000
     40     -12.9768      1.00000
     41     -12.6126      1.00000
     42     -12.6092      1.00000
     43     -12.1971      1.00000
     44     -11.5757      1.00000
     45     -11.5425      1.00000
     46     -11.3102      1.00000
     47     -11.2877      1.00000
     48     -11.1412      1.00000
     49     -10.6740      1.00000
     50     -10.6598      1.00000
     51     -10.5484      1.00000
     52     -10.3226      1.00000
     53     -10.3171      1.00000
     54     -10.1706      1.00000
     55     -10.1140      1.00000
     56     -10.1117      1.00000
     57      -9.7977      1.00000
     58      -9.7639      1.00000
     59      -9.7510      1.00000
     60      -9.6997      1.00000
     61      -9.6969      1.00000
     62      -9.6614      1.00000
     63      -9.3538      1.00000
     64      -9.3507      1.00000
     65      -9.3150      1.00000
     66      -9.0398      1.00000
     67      -8.9616      1.00000
     68      -8.9487      1.00000
     69      -8.7984      1.00000
     70      -8.5935      1.00000
     71      -8.5582      1.00000
     72      -8.3968      1.00000
     73      -8.3647      1.00000
     74      -8.3234      1.00000
     75      -8.3055      1.00000
     76      -8.2579      1.00000
     77      -8.2572      1.00000
     78      -8.2358      1.00000
     79      -7.9078      1.00000
     80      -7.6498      1.00000
     81      -7.5394      1.00000
     82      -7.3856      1.00000
     83      -7.3482      1.00000
     84      -7.2301      1.00000
     85      -7.0975      1.00000
     86      -7.0370      1.00000
     87      -6.9341      1.00000
     88      -6.8444      1.00000
     89      -6.6116      1.00000
     90      -6.5578      1.00000
     91      -6.2690      1.00000
     92      -6.0412      1.00000
     93      -5.9506      1.00000
     94      -5.6613      1.00000
     95      -5.6216      1.00000
     96      -5.4586      1.00000
     97      -5.3181      1.00000
     98      -5.2779      1.00000
     99      -5.2134      1.00000
    100      -5.1931      1.00000
    101      -4.4968      1.00000
    102      -4.2010      1.00000
    103      -4.0537      1.00000
    104      -3.9875      1.00000
    105      -3.6892      1.00000
    106      -3.4889      1.00000
    107      -1.9448      0.00000
    108      -1.8975      0.00000
    109      -1.3356      0.00000
    110      -1.0847      0.00000
    111      -1.0582      0.00000
    112      -0.7993      0.00000
    113      -0.6785      0.00000
    114      -0.6460      0.00000
    115      -0.6063      0.00000
    116      -0.1093      0.00000
    117       0.2162      0.00000
    118       0.3283      0.00000
    119       0.6862      0.00000
    120       0.8784      0.00000
    121       1.1224      0.00000
    122       1.1990      0.00000
    123       1.3176      0.00000
    124       1.4081      0.00000
    125       1.5494      0.00000
    126       1.5750      0.00000
    127       1.6620      0.00000
    128       1.7912      0.00000
    129       1.8482      0.00000
    130       2.0307      0.00000
    131       2.0942      0.00000
    132       2.3072      0.00000
    133       2.3511      0.00000
    134       2.3786      0.00000
    135       2.5151      0.00000
    136       2.6134      0.00000
    137       2.7118      0.00000
    138       2.7228      0.00000
    139       2.7850      0.00000
    140       2.8515      0.00000
    141       3.0038      0.00000
    142       3.0425      0.00000
    143       3.1349      0.00000
    144       3.2394      0.00000
    145       3.3405      0.00000
    146       3.3878      0.00000
    147       3.4064      0.00000
    148       3.5309      0.00000
    149       3.5416      0.00000
    150       3.5765      0.00000
    151       3.6440      0.00000
    152       3.6573      0.00000
    153       3.7526      0.00000
    154       3.7676      0.00000
    155       3.7727      0.00000
    156       3.8622      0.00000
    157       3.8989      0.00000
    158       3.9617      0.00000
    159       4.1820      0.00000
    160       4.1952      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3172      1.00000
      2     -21.9623      1.00000
      3     -21.8949      1.00000
      4     -21.3811      1.00000
      5     -21.3521      1.00000
      6     -20.8391      1.00000
      7     -20.7755      1.00000
      8     -20.6244      1.00000
      9     -20.0776      1.00000
     10     -20.0720      1.00000
     11     -19.7172      1.00000
     12     -19.6926      1.00000
     13     -18.9963      1.00000
     14     -18.9905      1.00000
     15     -18.6408      1.00000
     16     -18.6248      1.00000
     17     -18.4620      1.00000
     18     -17.6742      1.00000
     19     -17.6246      1.00000
     20     -17.6219      1.00000
     21     -17.5810      1.00000
     22     -17.1263      1.00000
     23     -17.1047      1.00000
     24     -16.9616      1.00000
     25     -16.0012      1.00000
     26     -15.9296      1.00000
     27     -15.5855      1.00000
     28     -15.5852      1.00000
     29     -15.2865      1.00000
     30     -14.8637      1.00000
     31     -14.8365      1.00000
     32     -14.5780      1.00000
     33     -14.5372      1.00000
     34     -14.1678      1.00000
     35     -14.1552      1.00000
     36     -13.1474      1.00000
     37     -13.0999      1.00000
     38     -13.0297      1.00000
     39     -13.0190      1.00000
     40     -12.7084      1.00000
     41     -12.7043      1.00000
     42     -12.3407      1.00000
     43     -12.3105      1.00000
     44     -11.6356      1.00000
     45     -11.6217      1.00000
     46     -11.5716      1.00000
     47     -10.9484      1.00000
     48     -10.9164      1.00000
     49     -10.6293      1.00000
     50     -10.6238      1.00000
     51     -10.5448      1.00000
     52     -10.4989      1.00000
     53     -10.4988      1.00000
     54     -10.4390      1.00000
     55     -10.3598      1.00000
     56     -10.0984      1.00000
     57      -9.9040      1.00000
     58      -9.6074      1.00000
     59      -9.5561      1.00000
     60      -9.4526      1.00000
     61      -9.4113      1.00000
     62      -9.4040      1.00000
     63      -9.3768      1.00000
     64      -9.3767      1.00000
     65      -9.2861      1.00000
     66      -9.1683      1.00000
     67      -9.1425      1.00000
     68      -9.1135      1.00000
     69      -8.8639      1.00000
     70      -8.8565      1.00000
     71      -8.8147      1.00000
     72      -8.5972      1.00000
     73      -8.4797      1.00000
     74      -8.1982      1.00000
     75      -8.1632      1.00000
     76      -8.0117      1.00000
     77      -7.9554      1.00000
     78      -7.8499      1.00000
     79      -7.8394      1.00000
     80      -7.7052      1.00000
     81      -7.6953      1.00000
     82      -7.6241      1.00000
     83      -7.4436      1.00000
     84      -7.3045      1.00000
     85      -7.2438      1.00000
     86      -6.9051      1.00000
     87      -6.8922      1.00000
     88      -6.5883      1.00000
     89      -6.5494      1.00000
     90      -6.4053      1.00000
     91      -6.2527      1.00000
     92      -6.2315      1.00000
     93      -6.2047      1.00000
     94      -6.0215      1.00000
     95      -5.5479      1.00000
     96      -5.4867      1.00000
     97      -5.3471      1.00000
     98      -5.2195      1.00000
     99      -4.9780      1.00000
    100      -4.7268      1.00000
    101      -4.6759      1.00000
    102      -4.3809      1.00000
    103      -4.1964      1.00000
    104      -3.8622      1.00000
    105      -3.5447      1.00000
    106      -3.5002      1.00000
    107      -2.2569      0.00000
    108      -1.4536      0.00000
    109      -1.3718      0.00000
    110      -1.2416      0.00000
    111      -1.0961      0.00000
    112      -0.9444      0.00000
    113      -0.8632      0.00000
    114      -0.8026      0.00000
    115      -0.1411      0.00000
    116       0.1096      0.00000
    117       0.2410      0.00000
    118       0.3777      0.00000
    119       0.6434      0.00000
    120       0.8336      0.00000
    121       0.9372      0.00000
    122       1.0564      0.00000
    123       1.2249      0.00000
    124       1.4327      0.00000
    125       1.5279      0.00000
    126       1.7671      0.00000
    127       1.7830      0.00000
    128       1.8477      0.00000
    129       1.9467      0.00000
    130       2.0228      0.00000
    131       2.1561      0.00000
    132       2.1728      0.00000
    133       2.3898      0.00000
    134       2.4219      0.00000
    135       2.5076      0.00000
    136       2.6047      0.00000
    137       2.6341      0.00000
    138       2.6861      0.00000
    139       2.7317      0.00000
    140       2.8076      0.00000
    141       2.9270      0.00000
    142       3.0456      0.00000
    143       3.1750      0.00000
    144       3.1750      0.00000
    145       3.2178      0.00000
    146       3.2600      0.00000
    147       3.2921      0.00000
    148       3.4352      0.00000
    149       3.4771      0.00000
    150       3.6793      0.00000
    151       3.6925      0.00000
    152       3.7111      0.00000
    153       3.8460      0.00000
    154       3.8785      0.00000
    155       3.9002      0.00000
    156       3.9616      0.00000
    157       3.9848      0.00000
    158       4.0128      0.00000
    159       4.0220      0.00000
    160       4.0266      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2090      1.00000
      2     -22.1188      1.00000
      3     -21.9576      1.00000
      4     -21.4047      1.00000
      5     -21.0498      1.00000
      6     -21.0144      1.00000
      7     -20.5005      1.00000
      8     -20.4616      1.00000
      9     -20.2954      1.00000
     10     -20.2763      1.00000
     11     -19.9571      1.00000
     12     -19.8928      1.00000
     13     -18.8818      1.00000
     14     -18.8146      1.00000
     15     -18.3521      1.00000
     16     -18.3068      1.00000
     17     -18.1531      1.00000
     18     -18.1362      1.00000
     19     -17.8261      1.00000
     20     -17.7895      1.00000
     21     -17.2515      1.00000
     22     -17.2415      1.00000
     23     -17.1645      1.00000
     24     -17.1330      1.00000
     25     -16.1101      1.00000
     26     -15.8856      1.00000
     27     -15.8703      1.00000
     28     -15.8336      1.00000
     29     -15.2360      1.00000
     30     -14.5548      1.00000
     31     -14.5271      1.00000
     32     -14.2797      1.00000
     33     -13.9633      1.00000
     34     -13.9560      1.00000
     35     -13.8199      1.00000
     36     -13.8041      1.00000
     37     -13.6138      1.00000
     38     -13.5710      1.00000
     39     -13.3703      1.00000
     40     -12.6344      1.00000
     41     -12.1800      1.00000
     42     -12.1331      1.00000
     43     -12.0714      1.00000
     44     -12.0204      1.00000
     45     -11.6688      1.00000
     46     -11.6558      1.00000
     47     -11.1381      1.00000
     48     -11.1180      1.00000
     49     -10.7937      1.00000
     50     -10.7315      1.00000
     51     -10.5224      1.00000
     52     -10.2081      1.00000
     53     -10.2050      1.00000
     54     -10.1653      1.00000
     55     -10.0174      1.00000
     56     -10.0045      1.00000
     57      -9.9904      1.00000
     58      -9.8012      1.00000
     59      -9.7972      1.00000
     60      -9.7618      1.00000
     61      -9.7569      1.00000
     62      -9.4542      1.00000
     63      -9.4161      1.00000
     64      -9.0785      1.00000
     65      -9.0720      1.00000
     66      -9.0410      1.00000
     67      -8.9544      1.00000
     68      -8.8766      1.00000
     69      -8.7115      1.00000
     70      -8.6996      1.00000
     71      -8.5656      1.00000
     72      -8.5425      1.00000
     73      -8.4984      1.00000
     74      -8.4621      1.00000
     75      -8.4536      1.00000
     76      -8.2583      1.00000
     77      -8.1255      1.00000
     78      -8.0425      1.00000
     79      -7.9151      1.00000
     80      -7.8609      1.00000
     81      -7.6160      1.00000
     82      -7.5473      1.00000
     83      -7.4930      1.00000
     84      -7.2569      1.00000
     85      -6.9942      1.00000
     86      -6.9223      1.00000
     87      -6.8815      1.00000
     88      -6.5313      1.00000
     89      -6.4868      1.00000
     90      -6.4594      1.00000
     91      -6.4099      1.00000
     92      -5.9810      1.00000
     93      -5.8958      1.00000
     94      -5.7838      1.00000
     95      -5.7589      1.00000
     96      -5.4279      1.00000
     97      -5.3273      1.00000
     98      -5.2299      1.00000
     99      -5.2168      1.00000
    100      -5.1875      1.00000
    101      -4.6877      1.00000
    102      -4.4133      1.00000
    103      -4.2027      1.00000
    104      -3.8242      1.00000
    105      -3.5194      1.00000
    106      -3.2735      1.00000
    107      -2.5313      0.00000
    108      -1.4550      0.00000
    109      -1.2669      0.00000
    110      -1.2029      0.00000
    111      -1.1721      0.00000
    112      -0.7187      0.00000
    113      -0.5034      0.00000
    114      -0.4120      0.00000
    115      -0.3387      0.00000
    116      -0.1458      0.00000
    117      -0.0020      0.00000
    118       0.1924      0.00000
    119       0.5596      0.00000
    120       0.6128      0.00000
    121       0.7897      0.00000
    122       0.8970      0.00000
    123       1.1225      0.00000
    124       1.4744      0.00000
    125       1.6174      0.00000
    126       1.8182      0.00000
    127       1.9064      0.00000
    128       2.0840      0.00000
    129       2.0993      0.00000
    130       2.1136      0.00000
    131       2.1733      0.00000
    132       2.2798      0.00000
    133       2.3119      0.00000
    134       2.4548      0.00000
    135       2.5661      0.00000
    136       2.6377      0.00000
    137       2.8371      0.00000
    138       2.8692      0.00000
    139       2.8854      0.00000
    140       2.9529      0.00000
    141       2.9802      0.00000
    142       3.1261      0.00000
    143       3.1458      0.00000
    144       3.1902      0.00000
    145       3.2575      0.00000
    146       3.2741      0.00000
    147       3.2964      0.00000
    148       3.3383      0.00000
    149       3.3971      0.00000
    150       3.4171      0.00000
    151       3.5161      0.00000
    152       3.5948      0.00000
    153       3.6711      0.00000
    154       3.6912      0.00000
    155       3.7532      0.00000
    156       3.8820      0.00000
    157       3.8946      0.00000
    158       3.9763      0.00000
    159       4.1019      0.00000
    160       4.1880      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9639      1.00000
      3     -21.8934      1.00000
      4     -21.3847      1.00000
      5     -21.3487      1.00000
      6     -20.8391      1.00000
      7     -20.7742      1.00000
      8     -20.6251      1.00000
      9     -20.0893      1.00000
     10     -20.0612      1.00000
     11     -19.7187      1.00000
     12     -19.6900      1.00000
     13     -19.0094      1.00000
     14     -18.9789      1.00000
     15     -18.6495      1.00000
     16     -18.6175      1.00000
     17     -18.4606      1.00000
     18     -17.6597      1.00000
     19     -17.6463      1.00000
     20     -17.6105      1.00000
     21     -17.5785      1.00000
     22     -17.1363      1.00000
     23     -17.0975      1.00000
     24     -16.9658      1.00000
     25     -16.0077      1.00000
     26     -15.9230      1.00000
     27     -15.5986      1.00000
     28     -15.5754      1.00000
     29     -15.2793      1.00000
     30     -14.8760      1.00000
     31     -14.8299      1.00000
     32     -14.5739      1.00000
     33     -14.5368      1.00000
     34     -14.1634      1.00000
     35     -14.1594      1.00000
     36     -13.1615      1.00000
     37     -13.0956      1.00000
     38     -13.0232      1.00000
     39     -13.0179      1.00000
     40     -12.7172      1.00000
     41     -12.6943      1.00000
     42     -12.3401      1.00000
     43     -12.3137      1.00000
     44     -11.6306      1.00000
     45     -11.6217      1.00000
     46     -11.5699      1.00000
     47     -10.9401      1.00000
     48     -10.9223      1.00000
     49     -10.6643      1.00000
     50     -10.5900      1.00000
     51     -10.5718      1.00000
     52     -10.5005      1.00000
     53     -10.4876      1.00000
     54     -10.4385      1.00000
     55     -10.3557      1.00000
     56     -10.1025      1.00000
     57      -9.8983      1.00000
     58      -9.6074      1.00000
     59      -9.5515      1.00000
     60      -9.4529      1.00000
     61      -9.4174      1.00000
     62      -9.4086      1.00000
     63      -9.3800      1.00000
     64      -9.3713      1.00000
     65      -9.2670      1.00000
     66      -9.1639      1.00000
     67      -9.1402      1.00000
     68      -9.1153      1.00000
     69      -8.8653      1.00000
     70      -8.8595      1.00000
     71      -8.8017      1.00000
     72      -8.5962      1.00000
     73      -8.5244      1.00000
     74      -8.1924      1.00000
     75      -8.1700      1.00000
     76      -8.0777      1.00000
     77      -7.8576      1.00000
     78      -7.8361      1.00000
     79      -7.8196      1.00000
     80      -7.7096      1.00000
     81      -7.6957      1.00000
     82      -7.6008      1.00000
     83      -7.5214      1.00000
     84      -7.3511      1.00000
     85      -7.1617      1.00000
     86      -6.9045      1.00000
     87      -6.8946      1.00000
     88      -6.5922      1.00000
     89      -6.5499      1.00000
     90      -6.4051      1.00000
     91      -6.3012      1.00000
     92      -6.2471      1.00000
     93      -6.1999      1.00000
     94      -6.0023      1.00000
     95      -5.5292      1.00000
     96      -5.4642      1.00000
     97      -5.3115      1.00000
     98      -5.2091      1.00000
     99      -5.0430      1.00000
    100      -4.7203      1.00000
    101      -4.6691      1.00000
    102      -4.4154      1.00000
    103      -4.1889      1.00000
    104      -3.8336      1.00000
    105      -3.6293      1.00000
    106      -3.4116      1.00000
    107      -2.2915      0.00000
    108      -1.5069      0.00000
    109      -1.2696      0.00000
    110      -1.2624      0.00000
    111      -1.0331      0.00000
    112      -0.9783      0.00000
    113      -0.8679      0.00000
    114      -0.7995      0.00000
    115      -0.2622      0.00000
    116       0.2049      0.00000
    117       0.2400      0.00000
    118       0.3585      0.00000
    119       0.6821      0.00000
    120       0.8934      0.00000
    121       0.9233      0.00000
    122       1.0338      0.00000
    123       1.1566      0.00000
    124       1.4977      0.00000
    125       1.5376      0.00000
    126       1.6906      0.00000
    127       1.7768      0.00000
    128       1.8219      0.00000
    129       1.9434      0.00000
    130       1.9606      0.00000
    131       2.1618      0.00000
    132       2.2358      0.00000
    133       2.3942      0.00000
    134       2.4279      0.00000
    135       2.5055      0.00000
    136       2.5984      0.00000
    137       2.6188      0.00000
    138       2.6882      0.00000
    139       2.7141      0.00000
    140       2.8310      0.00000
    141       3.0192      0.00000
    142       3.0458      0.00000
    143       3.1592      0.00000
    144       3.2063      0.00000
    145       3.2199      0.00000
    146       3.2544      0.00000
    147       3.3033      0.00000
    148       3.4211      0.00000
    149       3.4983      0.00000
    150       3.6805      0.00000
    151       3.7111      0.00000
    152       3.7161      0.00000
    153       3.8076      0.00000
    154       3.8561      0.00000
    155       3.8970      0.00000
    156       3.9519      0.00000
    157       3.9903      0.00000
    158       4.0056      0.00000
    159       4.0143      0.00000
    160       4.0639      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3894      1.00000
      2     -21.8304      1.00000
      3     -21.6417      1.00000
      4     -21.6072      1.00000
      5     -21.2785      1.00000
      6     -21.2326      1.00000
      7     -21.0572      1.00000
      8     -20.1710      1.00000
      9     -20.1259      1.00000
     10     -19.6165      1.00000
     11     -19.5911      1.00000
     12     -19.4158      1.00000
     13     -19.0942      1.00000
     14     -19.0557      1.00000
     15     -19.0525      1.00000
     16     -19.0386      1.00000
     17     -18.3665      1.00000
     18     -18.3473      1.00000
     19     -18.0166      1.00000
     20     -17.0707      1.00000
     21     -17.0236      1.00000
     22     -16.9495      1.00000
     23     -16.9360      1.00000
     24     -16.4740      1.00000
     25     -16.4627      1.00000
     26     -15.6093      1.00000
     27     -15.6085      1.00000
     28     -15.2492      1.00000
     29     -15.2374      1.00000
     30     -15.1905      1.00000
     31     -15.1024      1.00000
     32     -15.0679      1.00000
     33     -14.6979      1.00000
     34     -14.6969      1.00000
     35     -13.7244      1.00000
     36     -13.7243      1.00000
     37     -13.2348      1.00000
     38     -12.6237      1.00000
     39     -12.5789      1.00000
     40     -12.4546      1.00000
     41     -12.4493      1.00000
     42     -12.1043      1.00000
     43     -12.0993      1.00000
     44     -11.7205      1.00000
     45     -11.6828      1.00000
     46     -11.2449      1.00000
     47     -11.2233      1.00000
     48     -11.0170      1.00000
     49     -11.0057      1.00000
     50     -10.9269      1.00000
     51     -10.8989      1.00000
     52     -10.6325      1.00000
     53     -10.1719      1.00000
     54     -10.1492      1.00000
     55     -10.0843      1.00000
     56      -9.9889      1.00000
     57      -9.6950      1.00000
     58      -9.6885      1.00000
     59      -9.6712      1.00000
     60      -9.5913      1.00000
     61      -9.5678      1.00000
     62      -9.5521      1.00000
     63      -9.3119      1.00000
     64      -9.2997      1.00000
     65      -9.2813      1.00000
     66      -9.2423      1.00000
     67      -9.1221      1.00000
     68      -9.1118      1.00000
     69      -9.1109      1.00000
     70      -8.9396      1.00000
     71      -8.8747      1.00000
     72      -8.6027      1.00000
     73      -8.5863      1.00000
     74      -8.2708      1.00000
     75      -8.1002      1.00000
     76      -7.8668      1.00000
     77      -7.8434      1.00000
     78      -7.7895      1.00000
     79      -7.7643      1.00000
     80      -7.7542      1.00000
     81      -7.4353      1.00000
     82      -7.3348      1.00000
     83      -7.3213      1.00000
     84      -7.2650      1.00000
     85      -7.1655      1.00000
     86      -7.0139      1.00000
     87      -6.9842      1.00000
     88      -6.7167      1.00000
     89      -6.6915      1.00000
     90      -6.6310      1.00000
     91      -6.5881      1.00000
     92      -6.1168      1.00000
     93      -6.0580      1.00000
     94      -6.0437      1.00000
     95      -6.0271      1.00000
     96      -5.7469      1.00000
     97      -4.9668      1.00000
     98      -4.8367      1.00000
     99      -4.7076      1.00000
    100      -4.6730      1.00000
    101      -4.4761      1.00000
    102      -4.3441      1.00000
    103      -4.1099      1.00000
    104      -4.0529      1.00000
    105      -3.7480      1.00000
    106      -3.4572      1.00000
    107      -1.9483      0.00000
    108      -1.7705      0.00000
    109      -1.4800      0.00000
    110      -1.3544      0.00000
    111      -1.3370      0.00000
    112      -1.2913      0.00000
    113      -0.6791      0.00000
    114      -0.4708      0.00000
    115      -0.2343      0.00000
    116       0.0497      0.00000
    117       0.5776      0.00000
    118       0.6940      0.00000
    119       0.7688      0.00000
    120       1.0177      0.00000
    121       1.0981      0.00000
    122       1.1706      0.00000
    123       1.2461      0.00000
    124       1.3291      0.00000
    125       1.4210      0.00000
    126       1.5688      0.00000
    127       1.7383      0.00000
    128       1.8384      0.00000
    129       1.8580      0.00000
    130       1.8837      0.00000
    131       2.0288      0.00000
    132       2.2027      0.00000
    133       2.2130      0.00000
    134       2.2587      0.00000
    135       2.4593      0.00000
    136       2.5752      0.00000
    137       2.6156      0.00000
    138       2.7247      0.00000
    139       2.7455      0.00000
    140       2.8338      0.00000
    141       2.8368      0.00000
    142       2.8397      0.00000
    143       2.9184      0.00000
    144       3.0521      0.00000
    145       3.2674      0.00000
    146       3.3330      0.00000
    147       3.3647      0.00000
    148       3.3864      0.00000
    149       3.3927      0.00000
    150       3.5413      0.00000
    151       3.6095      0.00000
    152       3.6316      0.00000
    153       3.7034      0.00000
    154       3.8721      0.00000
    155       3.8876      0.00000
    156       3.9223      0.00000
    157       4.0789      0.00000
    158       4.1660      0.00000
    159       4.1964      0.00000
    160       4.2557      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1202      1.00000
      3     -21.9573      1.00000
      4     -21.4048      1.00000
      5     -21.0461      1.00000
      6     -21.0180      1.00000
      7     -20.4957      1.00000
      8     -20.4662      1.00000
      9     -20.2869      1.00000
     10     -20.2845      1.00000
     11     -19.9559      1.00000
     12     -19.8945      1.00000
     13     -18.8823      1.00000
     14     -18.8166      1.00000
     15     -18.3374      1.00000
     16     -18.3180      1.00000
     17     -18.1493      1.00000
     18     -18.1415      1.00000
     19     -17.8157      1.00000
     20     -17.7972      1.00000
     21     -17.2576      1.00000
     22     -17.2381      1.00000
     23     -17.1597      1.00000
     24     -17.1355      1.00000
     25     -16.1166      1.00000
     26     -15.8803      1.00000
     27     -15.8692      1.00000
     28     -15.8398      1.00000
     29     -15.2302      1.00000
     30     -14.5504      1.00000
     31     -14.5320      1.00000
     32     -14.2749      1.00000
     33     -13.9744      1.00000
     34     -13.9513      1.00000
     35     -13.8232      1.00000
     36     -13.8025      1.00000
     37     -13.6034      1.00000
     38     -13.5780      1.00000
     39     -13.3706      1.00000
     40     -12.6386      1.00000
     41     -12.1680      1.00000
     42     -12.1417      1.00000
     43     -12.0671      1.00000
     44     -12.0214      1.00000
     45     -11.6642      1.00000
     46     -11.6595      1.00000
     47     -11.1357      1.00000
     48     -11.1248      1.00000
     49     -10.7890      1.00000
     50     -10.7342      1.00000
     51     -10.5294      1.00000
     52     -10.2074      1.00000
     53     -10.2015      1.00000
     54     -10.1709      1.00000
     55     -10.0219      1.00000
     56      -9.9942      1.00000
     57      -9.9901      1.00000
     58      -9.8055      1.00000
     59      -9.7954      1.00000
     60      -9.7638      1.00000
     61      -9.7561      1.00000
     62      -9.4536      1.00000
     63      -9.4160      1.00000
     64      -9.0838      1.00000
     65      -9.0458      1.00000
     66      -9.0251      1.00000
     67      -8.9684      1.00000
     68      -8.8959      1.00000
     69      -8.7075      1.00000
     70      -8.6984      1.00000
     71      -8.5593      1.00000
     72      -8.5484      1.00000
     73      -8.4784      1.00000
     74      -8.4590      1.00000
     75      -8.4558      1.00000
     76      -8.3042      1.00000
     77      -8.0932      1.00000
     78      -8.0909      1.00000
     79      -7.9267      1.00000
     80      -7.8319      1.00000
     81      -7.6004      1.00000
     82      -7.5356      1.00000
     83      -7.4509      1.00000
     84      -7.2972      1.00000
     85      -6.9916      1.00000
     86      -6.9192      1.00000
     87      -6.8820      1.00000
     88      -6.5268      1.00000
     89      -6.5141      1.00000
     90      -6.4796      1.00000
     91      -6.4204      1.00000
     92      -5.9242      1.00000
     93      -5.9032      1.00000
     94      -5.7885      1.00000
     95      -5.7736      1.00000
     96      -5.3666      1.00000
     97      -5.3596      1.00000
     98      -5.2195      1.00000
     99      -5.2153      1.00000
    100      -5.1978      1.00000
    101      -4.7163      1.00000
    102      -4.4325      1.00000
    103      -4.1852      1.00000
    104      -3.8103      1.00000
    105      -3.5565      1.00000
    106      -3.2213      1.00000
    107      -2.5614      0.00000
    108      -1.4600      0.00000
    109      -1.2682      0.00000
    110      -1.1845      0.00000
    111      -1.1831      0.00000
    112      -0.6439      0.00000
    113      -0.5523      0.00000
    114      -0.4146      0.00000
    115      -0.3468      0.00000
    116      -0.0780      0.00000
    117      -0.0634      0.00000
    118       0.1254      0.00000
    119       0.5939      0.00000
    120       0.6263      0.00000
    121       0.8456      0.00000
    122       0.9762      0.00000
    123       0.9953      0.00000
    124       1.4822      0.00000
    125       1.6649      0.00000
    126       1.7338      0.00000
    127       1.8304      0.00000
    128       2.0834      0.00000
    129       2.1078      0.00000
    130       2.1715      0.00000
    131       2.2112      0.00000
    132       2.2491      0.00000
    133       2.3286      0.00000
    134       2.4854      0.00000
    135       2.4921      0.00000
    136       2.6403      0.00000
    137       2.8532      0.00000
    138       2.8564      0.00000
    139       2.9354      0.00000
    140       2.9381      0.00000
    141       2.9906      0.00000
    142       3.1244      0.00000
    143       3.1594      0.00000
    144       3.1978      0.00000
    145       3.2346      0.00000
    146       3.2718      0.00000
    147       3.2984      0.00000
    148       3.3455      0.00000
    149       3.3830      0.00000
    150       3.5191      0.00000
    151       3.5470      0.00000
    152       3.6266      0.00000
    153       3.6309      0.00000
    154       3.6695      0.00000
    155       3.6887      0.00000
    156       3.8888      0.00000
    157       3.9102      0.00000
    158       4.0030      0.00000
    159       4.0490      0.00000
    160       4.1512      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0790      1.00000
      3     -21.7203      1.00000
      4     -21.6818      1.00000
      5     -20.9824      1.00000
      6     -20.9357      1.00000
      7     -20.6108      1.00000
      8     -20.5797      1.00000
      9     -20.5662      1.00000
     10     -20.0325      1.00000
     11     -19.5126      1.00000
     12     -19.4835      1.00000
     13     -19.3116      1.00000
     14     -19.2988      1.00000
     15     -18.4489      1.00000
     16     -18.4068      1.00000
     17     -17.9271      1.00000
     18     -17.9074      1.00000
     19     -17.7650      1.00000
     20     -17.7211      1.00000
     21     -17.4413      1.00000
     22     -17.4233      1.00000
     23     -17.3378      1.00000
     24     -16.4703      1.00000
     25     -16.4605      1.00000
     26     -15.9703      1.00000
     27     -15.4105      1.00000
     28     -15.4097      1.00000
     29     -15.0955      1.00000
     30     -15.0924      1.00000
     31     -14.8522      1.00000
     32     -14.8403      1.00000
     33     -14.2977      1.00000
     34     -14.2534      1.00000
     35     -13.4440      1.00000
     36     -13.3995      1.00000
     37     -13.1744      1.00000
     38     -13.1730      1.00000
     39     -12.9856      1.00000
     40     -12.9768      1.00000
     41     -12.6100      1.00000
     42     -12.6079      1.00000
     43     -12.1962      1.00000
     44     -11.5783      1.00000
     45     -11.5382      1.00000
     46     -11.3126      1.00000
     47     -11.2830      1.00000
     48     -11.1411      1.00000
     49     -10.6906      1.00000
     50     -10.6615      1.00000
     51     -10.5433      1.00000
     52     -10.3213      1.00000
     53     -10.3142      1.00000
     54     -10.1753      1.00000
     55     -10.1197      1.00000
     56     -10.1079      1.00000
     57      -9.8109      1.00000
     58      -9.7516      1.00000
     59      -9.7508      1.00000
     60      -9.7021      1.00000
     61      -9.6983      1.00000
     62      -9.6465      1.00000
     63      -9.3520      1.00000
     64      -9.3509      1.00000
     65      -9.3172      1.00000
     66      -9.0266      1.00000
     67      -8.9603      1.00000
     68      -8.9571      1.00000
     69      -8.7753      1.00000
     70      -8.5910      1.00000
     71      -8.5849      1.00000
     72      -8.4224      1.00000
     73      -8.3491      1.00000
     74      -8.3205      1.00000
     75      -8.3025      1.00000
     76      -8.2646      1.00000
     77      -8.2537      1.00000
     78      -8.2384      1.00000
     79      -7.9245      1.00000
     80      -7.7344      1.00000
     81      -7.3789      1.00000
     82      -7.3483      1.00000
     83      -7.3085      1.00000
     84      -7.2164      1.00000
     85      -7.1587      1.00000
     86      -7.0674      1.00000
     87      -6.9601      1.00000
     88      -6.9065      1.00000
     89      -6.6124      1.00000
     90      -6.5558      1.00000
     91      -6.2700      1.00000
     92      -5.9939      1.00000
     93      -5.9585      1.00000
     94      -5.6734      1.00000
     95      -5.6470      1.00000
     96      -5.3838      1.00000
     97      -5.3136      1.00000
     98      -5.2922      1.00000
     99      -5.2115      1.00000
    100      -5.1999      1.00000
    101      -4.5008      1.00000
    102      -4.3298      1.00000
    103      -3.9939      1.00000
    104      -3.8834      1.00000
    105      -3.7858      1.00000
    106      -3.4361      1.00000
    107      -2.0323      0.00000
    108      -1.8628      0.00000
    109      -1.2159      0.00000
    110      -1.1848      0.00000
    111      -1.0349      0.00000
    112      -0.7714      0.00000
    113      -0.6794      0.00000
    114      -0.6584      0.00000
    115      -0.6085      0.00000
    116      -0.1040      0.00000
    117       0.2240      0.00000
    118       0.2381      0.00000
    119       0.7598      0.00000
    120       0.9753      0.00000
    121       1.0732      0.00000
    122       1.2387      0.00000
    123       1.2494      0.00000
    124       1.3299      0.00000
    125       1.5694      0.00000
    126       1.5858      0.00000
    127       1.6801      0.00000
    128       1.7684      0.00000
    129       1.9287      0.00000
    130       1.9311      0.00000
    131       2.0548      0.00000
    132       2.2702      0.00000
    133       2.3364      0.00000
    134       2.4032      0.00000
    135       2.5096      0.00000
    136       2.6103      0.00000
    137       2.7324      0.00000
    138       2.7867      0.00000
    139       2.8303      0.00000
    140       2.8358      0.00000
    141       2.9997      0.00000
    142       3.0854      0.00000
    143       3.1300      0.00000
    144       3.1875      0.00000
    145       3.3503      0.00000
    146       3.3998      0.00000
    147       3.4674      0.00000
    148       3.4965      0.00000
    149       3.5792      0.00000
    150       3.5841      0.00000
    151       3.6139      0.00000
    152       3.7207      0.00000
    153       3.7218      0.00000
    154       3.7437      0.00000
    155       3.7803      0.00000
    156       3.8480      0.00000
    157       3.9906      0.00000
    158       4.0672      0.00000
    159       4.1435      0.00000
    160       4.1749      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0408   -7.3883    4.1999   -1.2759   -0.2387   17.5950    0.1466   -0.5288    0.6314   -0.4633
x    -3.0934   -0.0374   -0.0630    0.0619   -0.0091   -2.9770   -0.0115   -0.0070    0.0048    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0408    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0939   -0.0088    0.0382    0.0377
y    -0.0455   -3.2461   -0.5412   -0.1632   -1.1825   -0.6060
z   204.0408    1.0969   -0.3111    0.0498    0.0193    0.0865   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1130    0.0003    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8247
z    -0.2191    0.2313   -0.0549    0.0617   -0.0900    0.0008
 total charge-density along one line
x   212.0000  -10.2201    6.1486   -2.0861   -0.4745   19.5113   -0.9969    0.4784   -0.0478   -0.1244
x    -2.6467   -0.0277   -0.0608    0.0847   -0.0534   -2.2244   -0.0255   -0.0024    0.0051    0.0021
x    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2201    6.1486   -2.0861   -0.4745   19.5113   -0.9969    0.4784   -0.0478   -0.1244
y    -2.6467   -0.0277   -0.0608    0.0847   -0.0534   -2.2244   -0.0255   -0.0024    0.0051    0.0021
y    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3262  188.9062 -170.1709  154.0911 -140.5463  126.8534 -111.4808   95.1324  -79.3293
z    64.9491  -52.1471   41.0395  -31.9641   25.0852  -20.0134   15.9804  -12.3806    9.1024   -6.3739
z     4.3708   -3.0025    2.0163   -1.2236    0.5932   -0.1620   -0.0875    0.2433   -0.3830    0.5100
z    -0.5757    0.5529   -0.4729    0.3954   -0.3536    0.3354   -0.3103    0.2654   -0.2128    0.1706
z    -0.1440    0.1249   -0.1046    0.0830   -0.0653    0.0546   -0.0485    0.0427   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0036
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0002   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.001   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.001   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.269   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.051   0.000   1.796   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.627   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.077   0.000  -0.131   0.000  -0.033  -0.278   0.081   0.000  -0.093   0.000   0.000
  0.000   0.269   0.000  -0.310   0.000   0.000   0.155   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.587  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.627   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.050   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.026  -0.033   0.000   0.077   0.000   0.039   0.162  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.278   0.000   0.587   0.000   0.162   1.366  -0.419   0.000   0.283   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.081   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.035   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.050   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.283  -0.035   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.030   8.932
  2        0.520   0.027   0.000   0.548
  3        0.520   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.647
  9        0.864   1.784   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.647
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.784   0.000   2.648
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.784   0.000   2.648
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.647
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.784   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.869  89.435   8.030 142.334
 


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


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


    CHARGE:  VPU time   90.40: CPU time   45.57
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  363.22: CPU time  181.90
    STRESS:  VPU time 1092.18: CPU time  548.78
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.14
 d Force = 0.3089000E-03[ 0.797E-04, 0.538E-03]  d Energy = 0.1003418E-02-0.695E-03
 d Force = 0.1136266E+01[ 0.114E+01, 0.113E+01]  d Ewald  = 0.4820243E+02-0.471E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726605 eV

  energy  without entropy=     -471.726605  energy(sigma->0) =     -471.726605
 

  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    40832.27  40790.25 -47530.37    -36.39      0.00      0.00
  Hartree  40256.93  40240.70 -39515.01    -14.06      0.00      0.00
  E(xc)     -779.45   -779.74   -807.39     -0.25      0.00      0.00
  Local   -83373.17 -83323.90  84360.14     42.67      0.00      0.00
  n-local   -216.89   -215.76   -203.55      0.70      0.00      0.00
  augment     20.06     22.04     17.81      1.72      0.00      0.00
  Kinetic   3162.67   3176.33   3583.99      3.47      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.08      0.12     -0.45      0.03      0.00      0.00
  in kB        0.05      0.07     -0.27      0.02      0.00      0.00
  external pressure =       -0.05 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.344814666  0.000811528  0.000000000     0.081002597  0.046759840  0.000000000
    -6.171711170 10.691324860  0.000000000    -0.000006149  0.093530228  0.000000000
     0.000000000  0.000000000 19.987219724     0.000000000  0.000000000  0.050031971

  length of vectors
    12.344814693 12.344814540 19.987219724     0.093530227  0.093530228  0.050031971


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.391E-05 -.492E-04 -.951E+03   0.420E-05 -.275E-04 0.960E+03   -.423E-20 -.364E-23 -.867E+01   -.649E-07 0.352E-07 0.185E-02
   0.321E+02 -.186E+02 -.135E+03   -.337E+02 0.194E+02 0.137E+03   0.153E+01 -.886E+00 -.253E+01   0.806E-03 -.466E-03 -.153E-02
   -.321E+02 0.186E+02 -.135E+03   0.337E+02 -.194E+02 0.137E+03   -.153E+01 0.886E+00 -.253E+01   -.806E-03 0.466E-03 -.153E-02
   -.203E+01 0.117E+01 0.138E+02   0.203E+01 -.117E+01 -.138E+02   -.913E-02 0.527E-02 -.315E-01   0.505E-03 -.294E-03 0.279E-02
   0.622E+01 0.677E+01 0.166E+02   -.624E+01 -.678E+01 -.165E+02   -.464E-02 0.269E-01 -.362E-01   0.587E-03 0.222E-02 0.257E-02
   0.111E+02 0.508E+01 0.165E+02   -.111E+02 -.509E+01 -.164E+02   0.218E-01 0.562E-02 -.510E-01   0.286E-02 0.767E-04 -.319E-03
   0.467E+01 -.892E+00 0.153E+02   -.469E+01 0.902E+00 -.153E+02   0.134E-01 -.815E-02 -.109E-01   0.825E-03 -.251E-03 -.202E-02
   -.305E+01 -.256E+01 0.137E+02   0.305E+01 0.256E+01 -.137E+02   0.954E-03 0.498E-02 -.405E-02   -.808E-03 0.175E-03 -.612E-03
   0.689E+00 0.392E+01 0.137E+02   -.692E+00 -.392E+01 -.137E+02   -.384E-02 -.332E-02 -.405E-02   -.561E-03 0.606E-03 -.615E-03
   0.244E+01 0.188E+02 0.224E+02   -.244E+01 -.189E+02 -.224E+02   0.178E-02 0.101E+00 -.515E-01   0.730E-03 0.194E-02 0.134E-02
   0.224E+02 0.213E+02 0.406E+02   -.225E+02 -.216E+02 -.406E+02   0.846E-01 0.254E+00 -.636E-01   0.285E-02 0.162E-02 0.211E-02
   0.265E+02 -.344E+01 0.259E+02   -.268E+02 0.354E+01 -.259E+02   0.263E+00 -.107E+00 -.457E-01   0.343E-02 0.632E-03 0.115E-02
   0.903E+01 -.521E+01 0.156E+02   -.907E+01 0.524E+01 -.156E+02   0.435E-01 -.251E-01 -.149E-01   0.262E-02 -.152E-02 -.717E-03
   0.311E+01 -.360E+01 0.153E+02   -.313E+01 0.361E+01 -.153E+02   0.138E-01 -.756E-02 -.109E-01   0.628E-03 -.593E-03 -.203E-02
   -.587E+01 0.135E+02 0.178E+02   0.587E+01 -.135E+02 -.178E+02   -.272E-02 0.718E-01 -.371E-01   -.717E-03 0.228E-02 -.579E-03
   -.118E+02 0.358E+02 0.466E+02   0.118E+02 -.364E+02 -.469E+02   -.261E-01 0.604E+00 0.296E+00   -.491E-03 0.420E-02 0.150E-02
   0.235E+02 -.135E+02 0.911E+02   -.241E+02 0.139E+02 -.931E+02   0.629E+00 -.363E+00 0.201E+01   0.201E-02 -.116E-02 0.122E-02
   0.162E+02 -.212E+02 0.259E+02   -.165E+02 0.214E+02 -.259E+02   0.224E+00 -.175E+00 -.457E-01   0.117E-02 -.330E-02 0.115E-02
   0.113E+01 -.121E+02 0.165E+02   -.113E+01 0.121E+02 -.164E+02   0.602E-02 -.217E-01 -.510E-01   0.137E-02 -.252E-02 -.324E-03
   -.408E+01 0.189E+01 0.139E+02   0.408E+01 -.190E+01 -.139E+02   -.250E-02 0.977E-02 -.376E-01   -.110E-02 0.484E-03 -.167E-02
   -.190E+02 0.110E+02 0.229E+02   0.191E+02 -.110E+02 -.228E+02   -.520E-01 0.300E-01 -.345E-01   -.265E-02 0.154E-02 0.121E-02
   -.369E+02 -.768E+01 0.466E+02   0.375E+02 0.796E+01 -.469E+02   -.536E+00 -.279E+00 0.296E+00   -.388E-02 -.168E-02 0.150E-02
   -.726E+01 -.301E+02 0.406E+02   0.746E+01 0.303E+02 -.406E+02   -.178E+00 -.201E+00 -.636E-01   0.292E-04 -.328E-02 0.211E-02
   -.275E+01 -.877E+01 0.166E+02   0.275E+01 0.879E+01 -.165E+02   -.256E-01 -.942E-02 -.362E-01   -.163E-02 -.162E-02 0.257E-02
   0.142E+01 -.823E+00 0.132E+02   -.143E+01 0.829E+00 -.131E+02   -.794E-03 0.458E-03 -.254E-01   0.491E-03 -.281E-03 0.103E-02
   -.368E+01 0.259E+01 0.139E+02   0.368E+01 -.258E+01 -.139E+02   -.972E-02 -.272E-02 -.376E-01   -.969E-03 0.718E-03 -.166E-02
   -.146E+02 -.165E+01 0.178E+02   0.147E+02 0.168E+01 -.178E+02   -.635E-01 -.335E-01 -.371E-01   -.233E-02 -.522E-03 -.572E-03
   -.151E+02 -.115E+02 0.224E+02   0.152E+02 0.116E+02 -.224E+02   -.862E-01 -.518E-01 -.515E-01   -.131E-02 -.161E-02 0.135E-02
   0.275E+01 0.877E+01 0.166E+02   -.275E+01 -.879E+01 -.165E+02   0.256E-01 0.942E-02 -.362E-01   0.163E-02 0.162E-02 0.257E-02
   0.151E+02 0.115E+02 0.224E+02   -.152E+02 -.116E+02 -.224E+02   0.862E-01 0.518E-01 -.515E-01   0.131E-02 0.161E-02 0.135E-02
   0.146E+02 0.165E+01 0.178E+02   -.147E+02 -.168E+01 -.178E+02   0.635E-01 0.335E-01 -.371E-01   0.233E-02 0.522E-03 -.572E-03
   0.368E+01 -.259E+01 0.139E+02   -.368E+01 0.258E+01 -.139E+02   0.972E-02 0.272E-02 -.376E-01   0.969E-03 -.718E-03 -.166E-02
   -.143E+01 0.823E+00 0.132E+02   0.144E+01 -.828E+00 -.131E+02   0.794E-03 -.458E-03 -.254E-01   -.491E-03 0.281E-03 0.103E-02
   -.113E+01 0.121E+02 0.165E+02   0.113E+01 -.121E+02 -.164E+02   -.602E-02 0.217E-01 -.510E-01   -.137E-02 0.252E-02 -.324E-03
   0.726E+01 0.301E+02 0.406E+02   -.746E+01 -.303E+02 -.406E+02   0.178E+00 0.201E+00 -.636E-01   -.292E-04 0.328E-02 0.211E-02
   0.369E+02 0.768E+01 0.466E+02   -.375E+02 -.796E+01 -.469E+02   0.536E+00 0.279E+00 0.296E+00   0.388E-02 0.168E-02 0.150E-02
   0.190E+02 -.110E+02 0.229E+02   -.191E+02 0.110E+02 -.228E+02   0.520E-01 -.300E-01 -.345E-01   0.265E-02 -.154E-02 0.121E-02
   0.408E+01 -.189E+01 0.139E+02   -.408E+01 0.190E+01 -.139E+02   0.250E-02 -.977E-02 -.376E-01   0.110E-02 -.484E-03 -.167E-02
   -.311E+01 0.360E+01 0.153E+02   0.313E+01 -.361E+01 -.153E+02   -.138E-01 0.756E-02 -.109E-01   -.628E-03 0.593E-03 -.203E-02
   -.162E+02 0.212E+02 0.259E+02   0.165E+02 -.214E+02 -.259E+02   -.224E+00 0.175E+00 -.457E-01   -.117E-02 0.330E-02 0.115E-02
   -.235E+02 0.135E+02 0.911E+02   0.241E+02 -.139E+02 -.931E+02   -.629E+00 0.363E+00 0.201E+01   -.201E-02 0.116E-02 0.122E-02
   0.118E+02 -.358E+02 0.466E+02   -.118E+02 0.364E+02 -.469E+02   0.261E-01 -.604E+00 0.296E+00   0.491E-03 -.420E-02 0.150E-02
   0.587E+01 -.135E+02 0.178E+02   -.587E+01 0.135E+02 -.178E+02   0.272E-02 -.718E-01 -.371E-01   0.717E-03 -.228E-02 -.579E-03
   -.689E+00 -.392E+01 0.137E+02   0.692E+00 0.392E+01 -.137E+02   0.384E-02 0.332E-02 -.405E-02   0.561E-03 -.606E-03 -.615E-03
   -.903E+01 0.521E+01 0.156E+02   0.907E+01 -.524E+01 -.156E+02   -.435E-01 0.251E-01 -.149E-01   -.262E-02 0.152E-02 -.717E-03
   -.265E+02 0.344E+01 0.259E+02   0.268E+02 -.354E+01 -.259E+02   -.263E+00 0.107E+00 -.457E-01   -.343E-02 -.632E-03 0.115E-02
   -.224E+02 -.213E+02 0.406E+02   0.225E+02 0.216E+02 -.406E+02   -.846E-01 -.254E+00 -.636E-01   -.285E-02 -.162E-02 0.211E-02
   -.244E+01 -.188E+02 0.224E+02   0.244E+01 0.189E+02 -.224E+02   -.178E-02 -.101E+00 -.515E-01   -.730E-03 -.194E-02 0.134E-02
   0.203E+01 -.117E+01 0.138E+02   -.203E+01 0.117E+01 -.138E+02   0.913E-02 -.527E-02 -.315E-01   -.505E-03 0.294E-03 0.279E-02
   0.305E+01 0.256E+01 0.137E+02   -.305E+01 -.256E+01 -.137E+02   -.954E-03 -.498E-02 -.405E-02   0.808E-03 -.175E-03 -.612E-03
   -.467E+01 0.892E+00 0.153E+02   0.469E+01 -.902E+00 -.153E+02   -.134E-01 0.815E-02 -.109E-01   -.825E-03 0.251E-03 -.202E-02
   -.111E+02 -.508E+01 0.165E+02   0.111E+02 0.509E+01 -.164E+02   -.218E-01 -.562E-02 -.510E-01   -.286E-02 -.767E-04 -.319E-03
   -.622E+01 -.677E+01 0.166E+02   0.624E+01 0.678E+01 -.165E+02   0.464E-02 -.269E-01 -.362E-01   -.587E-03 -.222E-02 0.257E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.297E-03 0.101E+02   0.309E-12 0.231E-13 -.167E-12   -.258E-15 0.156E-15 -.101E+02   -.413E-07 0.213E-07 0.238E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85212      6.05877     12.33955         0.000000      0.000000      0.029464
      1.07790      6.50576     13.60265         0.007949     -0.004589     -0.018811
      2.62633      5.61178     13.60265        -0.007949      0.004589     -0.018811
      0.00022     -0.00013      9.98008        -0.013758      0.007943     -0.008730
     -1.23449      2.13659      9.98062        -0.017944      0.015106     -0.006031
     -2.46993      4.27638      9.98697         0.006774     -0.003823      0.002324
     -3.70348      6.41494      9.98444        -0.006161      0.001609      0.006500
     -4.93725      8.55298      9.98185        -0.001314      0.008366      0.003843
      2.46910      0.00010      9.98185        -0.007903     -0.003045      0.003843
      1.23383      2.13672      9.98525         0.002164     -0.007062     -0.006198
     -0.00284      4.27094      9.99829         0.018879     -0.010943     -0.000886
     -1.23827      6.41553     10.01037        -0.002568      0.002767     -0.006210
     -2.46891      8.55351      9.98802         0.001145     -0.000661      0.000797
      4.93757      0.00064      9.98444        -0.004474      0.004531      0.006500
      3.70413      2.13663      9.99262        -0.003468      0.004958      0.005396
      2.46987      4.26827     10.03198         0.005864      0.005340      0.000304
      1.22915      6.41844     10.04230        -0.004436      0.002561      0.005592
     -0.00204      8.55674     10.01037        -0.003680      0.000841     -0.006210
      7.40640      0.00164      9.98697         0.006698     -0.003955      0.002324
      6.17243      2.13875      9.98420        -0.006847      0.000698      0.004678
      4.93901      4.27655     10.00172        -0.004509      0.002603      0.001048
      3.71161      6.41903     10.03198        -0.001693     -0.007748      0.000304
      2.47295      8.55912      9.99829         0.018916     -0.010878     -0.000886
      9.87723      0.00162      9.98062        -0.022055      0.007987     -0.006031
      8.64153      2.13890      9.98039        -0.010267      0.005928     -0.002071
      7.40711      4.27728      9.98420        -0.004028      0.005581      0.004678
      6.17479      6.41595      9.99262        -0.006028      0.000525      0.005396
      4.93956      8.55525      9.98525         0.007198      0.001657     -0.006198
     -0.00129      1.42459      9.98062         0.022055     -0.007987     -0.006031
     -1.23533      3.56229      9.98525        -0.007198     -0.001657     -0.006198
     -2.47056      5.70159      9.99262         0.006028     -0.000525      0.005396
     -3.70287      7.84026      9.98420         0.004028     -0.005581      0.004678
     -4.93730      9.97864      9.98039         0.010267     -0.005928     -0.002071
      2.46955      1.42458      9.98697        -0.006698      0.003955      0.002324
      1.23129      3.55842      9.99829        -0.018916      0.010878     -0.000886
     -0.00738      5.69851     10.03198         0.001693      0.007748      0.000304
     -1.23478      7.84099     10.00172         0.004509     -0.002603      0.001048
     -2.46819      9.97878      9.98420         0.006847     -0.000698      0.004678
      4.93837      1.42557      9.98444         0.004474     -0.004531      0.006500
      3.70628      3.56080     10.01037         0.003680     -0.000841     -0.006210
      2.47508      5.69910     10.04230         0.004436     -0.002561      0.005592
      1.23436      7.84927     10.03198        -0.005864     -0.005340      0.000304
      0.00010      9.98090      9.99262         0.003468     -0.004958      0.005396
      7.40685      1.42611      9.98185         0.007903      0.003045      0.003843
      6.17314      3.56403      9.98802        -0.001145      0.000661      0.000797
      4.94250      5.70200     10.01037         0.002568     -0.002767     -0.006210
      3.70707      7.84660      9.99829        -0.018879      0.010943     -0.000886
      2.47040      9.98082      9.98525        -0.002164      0.007062     -0.006198
      9.87572      1.42634      9.98008         0.013758     -0.007943     -0.008730
      8.64148      3.56456      9.98185         0.001314     -0.008366      0.003843
      7.40771      5.70260      9.98444         0.006161     -0.001609      0.006500
      6.17416      7.84116      9.98697        -0.006774      0.003823      0.002324
      4.93873      9.98095      9.98062         0.017944     -0.015106     -0.006031
 -----------------------------------------------------------------------------------
    total drift:                               -0.001806      0.000297      0.010994


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




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


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  150.95: CPU time   75.49
     LOOP+:  VPU time 7746.50: CPU time 3960.77


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


    POTLOK:  VPU time    7.72: CPU time    7.71
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1477.74: CPU time  754.93
 BZINTS: Fermi energy: -3.186848;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.53: CPU time   45.56
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1576.45: CPU time  808.63

 eigenvalue-minimisations  :  6088
 total energy-change (2. order) :-0.4717267E+03  (-0.2665304E-03)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9587966 magnetization   -0.0000025

 Broyden mixing:
  rms(total) = 0.19326E-02    rms(broyden)= 0.19322E-02
  rms(prec ) = 0.22204E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34084.15479971
  -1/2 Hartree   DENC   =    -40975.66834821
  -V(xc)+E(xc)   XCENC  =       726.59717362
  PAW double counting   =      4094.11539503    -4132.44300408
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2473.92256240
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72669273 eV

  energy without entropy =     -471.72669273  energy(sigma->0) =     -471.72669273


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




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


    POTLOK:  VPU time    7.72: CPU time    7.72
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1142.64: CPU time  583.67
 BZINTS: Fermi energy: -3.185327;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1150.71: CPU time  591.70

 eigenvalue-minimisations  :  4216
 total energy-change (2. order) : 0.1602375E-04  (-0.6697685E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9587966 magnetization   -0.0000025

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34084.15479971
  -1/2 Hartree   DENC   =    -40975.40661174
  -V(xc)+E(xc)   XCENC  =       726.58928332
  PAW double counting   =      4093.93917708    -4132.26624244
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.17693624
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72667671 eV

  energy without entropy =     -471.72667671  energy(sigma->0) =     -471.72667671


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2055       2 -39.5386       3 -39.5386       4 -58.3108       5 -58.3147
       6 -58.3175       7 -58.3121       8 -58.3122       9 -58.3122      10 -58.3189
      11 -58.3850      12 -58.3493      13 -58.3204      14 -58.3121      15 -58.3218
      16 -58.5382      17 -58.7253      18 -58.3493      19 -58.3175      20 -58.3171
      21 -58.3558      22 -58.5382      23 -58.3850      24 -58.3147      25 -58.3204
      26 -58.3171      27 -58.3218      28 -58.3189      29 -58.3145      30 -58.3188
      31 -58.3217      32 -58.3171      33 -58.3203      34 -58.3174      35 -58.3849
      36 -58.5381      37 -58.3558      38 -58.3170      39 -58.3120      40 -58.3492
      41 -58.7252      42 -58.5381      43 -58.3217      44 -58.3121      45 -58.3203
      46 -58.3492      47 -58.3849      48 -58.3188      49 -58.3107      50 -58.3121
      51 -58.3120      52 -58.3174      53 -58.3146
 
 
 
 E-fermi :  -3.1853     XC(G=0):  -2.3676     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     -22.4235      1.00000
      2     -21.5985      1.00000
      3     -21.4789      1.00000
      4     -21.4700      1.00000
      5     -21.4389      1.00000
      6     -21.4383      1.00000
      7     -21.4279      1.00000
      8     -19.7035      1.00000
      9     -19.6495      1.00000
     10     -19.6270      1.00000
     11     -19.6160      1.00000
     12     -19.6109      1.00000
     13     -19.6098      1.00000
     14     -18.7865      1.00000
     15     -18.7517      1.00000
     16     -18.7323      1.00000
     17     -18.7233      1.00000
     18     -18.7154      1.00000
     19     -18.7106      1.00000
     20     -16.6311      1.00000
     21     -16.6052      1.00000
     22     -16.5827      1.00000
     23     -16.5788      1.00000
     24     -16.5514      1.00000
     25     -16.5503      1.00000
     26     -15.6123      1.00000
     27     -15.5991      1.00000
     28     -15.5954      1.00000
     29     -15.5620      1.00000
     30     -15.5602      1.00000
     31     -15.5589      1.00000
     32     -14.2565      1.00000
     33     -14.2474      1.00000
     34     -14.2378      1.00000
     35     -14.2327      1.00000
     36     -14.2194      1.00000
     37     -14.2170      1.00000
     38     -11.9028      1.00000
     39     -11.8761      1.00000
     40     -11.8644      1.00000
     41     -11.8615      1.00000
     42     -11.8417      1.00000
     43     -11.8416      1.00000
     44     -11.7678      1.00000
     45     -11.7656      1.00000
     46     -11.7326      1.00000
     47     -11.7263      1.00000
     48     -11.7224      1.00000
     49     -11.7195      1.00000
     50     -10.6705      1.00000
     51     -10.3851      1.00000
     52     -10.3805      1.00000
     53     -10.3732      1.00000
     54     -10.3659      1.00000
     55     -10.3530      1.00000
     56     -10.3505      1.00000
     57      -9.8987      1.00000
     58      -9.4465      1.00000
     59      -9.4032      1.00000
     60      -9.3609      1.00000
     61      -9.3602      1.00000
     62      -9.3524      1.00000
     63      -9.1387      1.00000
     64      -9.1190      1.00000
     65      -9.1173      1.00000
     66      -9.0821      1.00000
     67      -9.0688      1.00000
     68      -9.0678      1.00000
     69      -9.0670      1.00000
     70      -9.0614      1.00000
     71      -9.0612      1.00000
     72      -9.0349      1.00000
     73      -9.0259      1.00000
     74      -9.0235      1.00000
     75      -8.1353      1.00000
     76      -7.7286      1.00000
     77      -7.4664      1.00000
     78      -7.4638      1.00000
     79      -7.4506      1.00000
     80      -7.4308      1.00000
     81      -7.4221      1.00000
     82      -7.4032      1.00000
     83      -7.3093      1.00000
     84      -7.2679      1.00000
     85      -7.2550      1.00000
     86      -7.2467      1.00000
     87      -7.1550      1.00000
     88      -7.0425      1.00000
     89      -6.4446      1.00000
     90      -6.4125      1.00000
     91      -6.3979      1.00000
     92      -6.3611      1.00000
     93      -6.3508      1.00000
     94      -6.3377      1.00000
     95      -5.9555      1.00000
     96      -5.9549      1.00000
     97      -4.7936      1.00000
     98      -4.5378      1.00000
     99      -4.4777      1.00000
    100      -4.4690      1.00000
    101      -4.3801      1.00000
    102      -4.3798      1.00000
    103      -4.2635      1.00000
    104      -4.1827      1.00000
    105      -3.7321      1.00000
    106      -3.4686      1.00000
    107      -1.8579      0.00000
    108      -1.6720      0.00000
    109      -1.6213      0.00000
    110      -1.5893      0.00000
    111      -1.5741      0.00000
    112      -1.5732      0.00000
    113      -0.4274      0.00000
    114       0.1446      0.00000
    115       0.1943      0.00000
    116       0.2579      0.00000
    117       0.2692      0.00000
    118       0.2729      0.00000
    119       0.4755      0.00000
    120       0.5459      0.00000
    121       1.2389      0.00000
    122       1.2881      0.00000
    123       1.5117      0.00000
    124       1.7713      0.00000
    125       1.7728      0.00000
    126       1.7743      0.00000
    127       1.7759      0.00000
    128       1.8310      0.00000
    129       1.9607      0.00000
    130       1.9686      0.00000
    131       1.9766      0.00000
    132       1.9910      0.00000
    133       1.9988      0.00000
    134       2.0745      0.00000
    135       2.2414      0.00000
    136       2.3283      0.00000
    137       2.5964      0.00000
    138       2.5969      0.00000
    139       2.6232      0.00000
    140       2.6622      0.00000
    141       2.9284      0.00000
    142       3.0144      0.00000
    143       3.0342      0.00000
    144       3.0589      0.00000
    145       3.0606      0.00000
    146       3.0629      0.00000
    147       3.0761      0.00000
    148       3.2473      0.00000
    149       3.4204      0.00000
    150       3.4841      0.00000
    151       3.7901      0.00000
    152       3.8923      0.00000
    153       3.8939      0.00000
    154       3.8958      0.00000
    155       3.9328      0.00000
    156       3.9827      0.00000
    157       4.1705      0.00000
    158       4.2611      0.00000
    159       4.2619      0.00000
    160       4.2823      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3868      1.00000
      2     -21.8275      1.00000
      3     -21.6357      1.00000
      4     -21.6082      1.00000
      5     -21.2717      1.00000
      6     -21.2331      1.00000
      7     -21.0547      1.00000
      8     -20.1647      1.00000
      9     -20.1273      1.00000
     10     -19.6058      1.00000
     11     -19.5948      1.00000
     12     -19.4148      1.00000
     13     -19.0864      1.00000
     14     -19.0575      1.00000
     15     -19.0467      1.00000
     16     -19.0389      1.00000
     17     -18.3580      1.00000
     18     -18.3496      1.00000
     19     -18.0165      1.00000
     20     -17.0659      1.00000
     21     -17.0279      1.00000
     22     -16.9417      1.00000
     23     -16.9370      1.00000
     24     -16.4650      1.00000
     25     -16.4602      1.00000
     26     -15.6113      1.00000
     27     -15.6044      1.00000
     28     -15.2499      1.00000
     29     -15.2407      1.00000
     30     -15.1819      1.00000
     31     -15.0951      1.00000
     32     -15.0685      1.00000
     33     -14.6957      1.00000
     34     -14.6936      1.00000
     35     -13.7237      1.00000
     36     -13.7209      1.00000
     37     -13.2330      1.00000
     38     -12.6111      1.00000
     39     -12.5811      1.00000
     40     -12.4515      1.00000
     41     -12.4477      1.00000
     42     -12.1065      1.00000
     43     -12.1016      1.00000
     44     -11.7139      1.00000
     45     -11.6834      1.00000
     46     -11.2320      1.00000
     47     -11.2228      1.00000
     48     -11.0148      1.00000
     49     -11.0070      1.00000
     50     -10.9236      1.00000
     51     -10.9023      1.00000
     52     -10.6249      1.00000
     53     -10.1519      1.00000
     54     -10.1478      1.00000
     55     -10.0892      1.00000
     56      -9.9944      1.00000
     57      -9.7001      1.00000
     58      -9.6919      1.00000
     59      -9.6538      1.00000
     60      -9.5890      1.00000
     61      -9.5734      1.00000
     62      -9.5561      1.00000
     63      -9.3042      1.00000
     64      -9.3006      1.00000
     65      -9.2714      1.00000
     66      -9.2330      1.00000
     67      -9.1343      1.00000
     68      -9.1128      1.00000
     69      -9.1080      1.00000
     70      -8.9379      1.00000
     71      -8.8689      1.00000
     72      -8.6011      1.00000
     73      -8.5879      1.00000
     74      -8.2373      1.00000
     75      -8.0978      1.00000
     76      -7.9067      1.00000
     77      -7.8605      1.00000
     78      -7.7689      1.00000
     79      -7.7541      1.00000
     80      -7.6938      1.00000
     81      -7.5503      1.00000
     82      -7.3361      1.00000
     83      -7.3196      1.00000
     84      -7.2033      1.00000
     85      -7.1191      1.00000
     86      -7.0303      1.00000
     87      -7.0090      1.00000
     88      -6.7020      1.00000
     89      -6.6764      1.00000
     90      -6.6389      1.00000
     91      -6.5947      1.00000
     92      -6.1130      1.00000
     93      -6.0594      1.00000
     94      -6.0280      1.00000
     95      -6.0087      1.00000
     96      -5.7804      1.00000
     97      -4.9657      1.00000
     98      -4.8281      1.00000
     99      -4.7438      1.00000
    100      -4.6767      1.00000
    101      -4.4599      1.00000
    102      -4.1977      1.00000
    103      -4.1676      1.00000
    104      -4.1249      1.00000
    105      -3.7228      1.00000
    106      -3.4785      1.00000
    107      -1.8674      0.00000
    108      -1.8087      0.00000
    109      -1.5213      0.00000
    110      -1.3763      0.00000
    111      -1.3198      0.00000
    112      -1.2861      0.00000
    113      -0.7177      0.00000
    114      -0.3746      0.00000
    115      -0.2491      0.00000
    116       0.0359      0.00000
    117       0.5532      0.00000
    118       0.6985      0.00000
    119       0.7475      0.00000
    120       1.0469      0.00000
    121       1.1016      0.00000
    122       1.1486      0.00000
    123       1.2268      0.00000
    124       1.3743      0.00000
    125       1.5144      0.00000
    126       1.5702      0.00000
    127       1.7106      0.00000
    128       1.7942      0.00000
    129       1.8563      0.00000
    130       1.8822      0.00000
    131       2.0876      0.00000
    132       2.1804      0.00000
    133       2.2349      0.00000
    134       2.2924      0.00000
    135       2.4984      0.00000
    136       2.5733      0.00000
    137       2.6023      0.00000
    138       2.7498      0.00000
    139       2.7847      0.00000
    140       2.8235      0.00000
    141       2.8275      0.00000
    142       2.8791      0.00000
    143       2.9231      0.00000
    144       3.0639      0.00000
    145       3.1401      0.00000
    146       3.2851      0.00000
    147       3.3491      0.00000
    148       3.3993      0.00000
    149       3.4372      0.00000
    150       3.5736      0.00000
    151       3.6231      0.00000
    152       3.6271      0.00000
    153       3.6833      0.00000
    154       3.8750      0.00000
    155       3.9388      0.00000
    156       4.0007      0.00000
    157       4.0518      0.00000
    158       4.1905      0.00000
    159       4.2227      0.00000
    160       4.2595      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2805      1.00000
      2     -22.0756      1.00000
      3     -21.7140      1.00000
      4     -21.6827      1.00000
      5     -20.9764      1.00000
      6     -20.9367      1.00000
      7     -20.6089      1.00000
      8     -20.5728      1.00000
      9     -20.5669      1.00000
     10     -20.0302      1.00000
     11     -19.5006      1.00000
     12     -19.4889      1.00000
     13     -19.3043      1.00000
     14     -19.2991      1.00000
     15     -18.4447      1.00000
     16     -18.4086      1.00000
     17     -17.9196      1.00000
     18     -17.9102      1.00000
     19     -17.7585      1.00000
     20     -17.7235      1.00000
     21     -17.4333      1.00000
     22     -17.4257      1.00000
     23     -17.3384      1.00000
     24     -16.4599      1.00000
     25     -16.4587      1.00000
     26     -15.9643      1.00000
     27     -15.4113      1.00000
     28     -15.4060      1.00000
     29     -15.0936      1.00000
     30     -15.0904      1.00000
     31     -14.8524      1.00000
     32     -14.8446      1.00000
     33     -14.2873      1.00000
     34     -14.2548      1.00000
     35     -13.4336      1.00000
     36     -13.4014      1.00000
     37     -13.1746      1.00000
     38     -13.1710      1.00000
     39     -12.9790      1.00000
     40     -12.9741      1.00000
     41     -12.6103      1.00000
     42     -12.6068      1.00000
     43     -12.1949      1.00000
     44     -11.5731      1.00000
     45     -11.5398      1.00000
     46     -11.3075      1.00000
     47     -11.2849      1.00000
     48     -11.1391      1.00000
     49     -10.6718      1.00000
     50     -10.6575      1.00000
     51     -10.5470      1.00000
     52     -10.3206      1.00000
     53     -10.3146      1.00000
     54     -10.1684      1.00000
     55     -10.1119      1.00000
     56     -10.1092      1.00000
     57      -9.7954      1.00000
     58      -9.7621      1.00000
     59      -9.7486      1.00000
     60      -9.6969      1.00000
     61      -9.6948      1.00000
     62      -9.6594      1.00000
     63      -9.3519      1.00000
     64      -9.3480      1.00000
     65      -9.3123      1.00000
     66      -9.0379      1.00000
     67      -8.9595      1.00000
     68      -8.9465      1.00000
     69      -8.7965      1.00000
     70      -8.5909      1.00000
     71      -8.5563      1.00000
     72      -8.3950      1.00000
     73      -8.3628      1.00000
     74      -8.3214      1.00000
     75      -8.3035      1.00000
     76      -8.2556      1.00000
     77      -8.2548      1.00000
     78      -8.2332      1.00000
     79      -7.9067      1.00000
     80      -7.6495      1.00000
     81      -7.5394      1.00000
     82      -7.3835      1.00000
     83      -7.3462      1.00000
     84      -7.2280      1.00000
     85      -7.0962      1.00000
     86      -7.0354      1.00000
     87      -6.9326      1.00000
     88      -6.8436      1.00000
     89      -6.6092      1.00000
     90      -6.5559      1.00000
     91      -6.2666      1.00000
     92      -6.0400      1.00000
     93      -5.9491      1.00000
     94      -5.6598      1.00000
     95      -5.6198      1.00000
     96      -5.4576      1.00000
     97      -5.3167      1.00000
     98      -5.2764      1.00000
     99      -5.2117      1.00000
    100      -5.1913      1.00000
    101      -4.4970      1.00000
    102      -4.2013      1.00000
    103      -4.0528      1.00000
    104      -3.9861      1.00000
    105      -3.6887      1.00000
    106      -3.4887      1.00000
    107      -1.9436      0.00000
    108      -1.8962      0.00000
    109      -1.3346      0.00000
    110      -1.0835      0.00000
    111      -1.0570      0.00000
    112      -0.7982      0.00000
    113      -0.6771      0.00000
    114      -0.6449      0.00000
    115      -0.6052      0.00000
    116      -0.1084      0.00000
    117       0.2172      0.00000
    118       0.3290      0.00000
    119       0.6923      0.00000
    120       0.8835      0.00000
    121       1.1251      0.00000
    122       1.2003      0.00000
    123       1.3238      0.00000
    124       1.4155      0.00000
    125       1.5536      0.00000
    126       1.5772      0.00000
    127       1.6728      0.00000
    128       1.7979      0.00000
    129       1.8595      0.00000
    130       2.0405      0.00000
    131       2.0971      0.00000
    132       2.3072      0.00000
    133       2.3530      0.00000
    134       2.3897      0.00000
    135       2.5284      0.00000
    136       2.6207      0.00000
    137       2.7202      0.00000
    138       2.7241      0.00000
    139       2.7854      0.00000
    140       2.8574      0.00000
    141       3.0102      0.00000
    142       3.0501      0.00000
    143       3.1473      0.00000
    144       3.2497      0.00000
    145       3.3517      0.00000
    146       3.4005      0.00000
    147       3.4161      0.00000
    148       3.5364      0.00000
    149       3.5511      0.00000
    150       3.5826      0.00000
    151       3.6521      0.00000
    152       3.6628      0.00000
    153       3.7574      0.00000
    154       3.7703      0.00000
    155       3.7835      0.00000
    156       3.8740      0.00000
    157       3.9102      0.00000
    158       3.9770      0.00000
    159       4.1949      0.00000
    160       4.2051      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3146      1.00000
      2     -21.9598      1.00000
      3     -21.8918      1.00000
      4     -21.3783      1.00000
      5     -21.3494      1.00000
      6     -20.8367      1.00000
      7     -20.7726      1.00000
      8     -20.6217      1.00000
      9     -20.0749      1.00000
     10     -20.0693      1.00000
     11     -19.7144      1.00000
     12     -19.6900      1.00000
     13     -18.9937      1.00000
     14     -18.9879      1.00000
     15     -18.6379      1.00000
     16     -18.6220      1.00000
     17     -18.4597      1.00000
     18     -17.6721      1.00000
     19     -17.6224      1.00000
     20     -17.6197      1.00000
     21     -17.5784      1.00000
     22     -17.1238      1.00000
     23     -17.1022      1.00000
     24     -16.9589      1.00000
     25     -15.9986      1.00000
     26     -15.9269      1.00000
     27     -15.5830      1.00000
     28     -15.5827      1.00000
     29     -15.2843      1.00000
     30     -14.8612      1.00000
     31     -14.8340      1.00000
     32     -14.5761      1.00000
     33     -14.5349      1.00000
     34     -14.1654      1.00000
     35     -14.1523      1.00000
     36     -13.1450      1.00000
     37     -13.0976      1.00000
     38     -13.0273      1.00000
     39     -13.0170      1.00000
     40     -12.7063      1.00000
     41     -12.7022      1.00000
     42     -12.3382      1.00000
     43     -12.3075      1.00000
     44     -11.6329      1.00000
     45     -11.6192      1.00000
     46     -11.5691      1.00000
     47     -10.9460      1.00000
     48     -10.9136      1.00000
     49     -10.6274      1.00000
     50     -10.6217      1.00000
     51     -10.5431      1.00000
     52     -10.4963      1.00000
     53     -10.4960      1.00000
     54     -10.4368      1.00000
     55     -10.3578      1.00000
     56     -10.0964      1.00000
     57      -9.9017      1.00000
     58      -9.6057      1.00000
     59      -9.5540      1.00000
     60      -9.4504      1.00000
     61      -9.4088      1.00000
     62      -9.4016      1.00000
     63      -9.3747      1.00000
     64      -9.3746      1.00000
     65      -9.2842      1.00000
     66      -9.1657      1.00000
     67      -9.1401      1.00000
     68      -9.1113      1.00000
     69      -8.8612      1.00000
     70      -8.8539      1.00000
     71      -8.8131      1.00000
     72      -8.5951      1.00000
     73      -8.4780      1.00000
     74      -8.1958      1.00000
     75      -8.1605      1.00000
     76      -8.0108      1.00000
     77      -7.9544      1.00000
     78      -7.8480      1.00000
     79      -7.8375      1.00000
     80      -7.7032      1.00000
     81      -7.6933      1.00000
     82      -7.6227      1.00000
     83      -7.4425      1.00000
     84      -7.3036      1.00000
     85      -7.2439      1.00000
     86      -6.9028      1.00000
     87      -6.8897      1.00000
     88      -6.5868      1.00000
     89      -6.5480      1.00000
     90      -6.4036      1.00000
     91      -6.2508      1.00000
     92      -6.2300      1.00000
     93      -6.2021      1.00000
     94      -6.0201      1.00000
     95      -5.5465      1.00000
     96      -5.4854      1.00000
     97      -5.3459      1.00000
     98      -5.2178      1.00000
     99      -4.9764      1.00000
    100      -4.7257      1.00000
    101      -4.6742      1.00000
    102      -4.3808      1.00000
    103      -4.1967      1.00000
    104      -3.8618      1.00000
    105      -3.5435      1.00000
    106      -3.5000      1.00000
    107      -2.2557      0.00000
    108      -1.4525      0.00000
    109      -1.3707      0.00000
    110      -1.2403      0.00000
    111      -1.0950      0.00000
    112      -0.9433      0.00000
    113      -0.8620      0.00000
    114      -0.8014      0.00000
    115      -0.1403      0.00000
    116       0.1107      0.00000
    117       0.2423      0.00000
    118       0.3785      0.00000
    119       0.6500      0.00000
    120       0.8353      0.00000
    121       0.9382      0.00000
    122       1.0610      0.00000
    123       1.2322      0.00000
    124       1.4382      0.00000
    125       1.5416      0.00000
    126       1.7681      0.00000
    127       1.7863      0.00000
    128       1.8529      0.00000
    129       1.9609      0.00000
    130       2.0285      0.00000
    131       2.1680      0.00000
    132       2.1773      0.00000
    133       2.4002      0.00000
    134       2.4221      0.00000
    135       2.5067      0.00000
    136       2.6061      0.00000
    137       2.6354      0.00000
    138       2.6940      0.00000
    139       2.7391      0.00000
    140       2.8208      0.00000
    141       2.9393      0.00000
    142       3.0542      0.00000
    143       3.1776      0.00000
    144       3.1860      0.00000
    145       3.2247      0.00000
    146       3.2661      0.00000
    147       3.3012      0.00000
    148       3.4473      0.00000
    149       3.4908      0.00000
    150       3.6920      0.00000
    151       3.7037      0.00000
    152       3.7169      0.00000
    153       3.8534      0.00000
    154       3.8871      0.00000
    155       3.9115      0.00000
    156       3.9669      0.00000
    157       3.9878      0.00000
    158       4.0159      0.00000
    159       4.0263      0.00000
    160       4.0323      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2068      1.00000
      2     -22.1157      1.00000
      3     -21.9547      1.00000
      4     -21.4020      1.00000
      5     -21.0470      1.00000
      6     -21.0117      1.00000
      7     -20.4978      1.00000
      8     -20.4590      1.00000
      9     -20.2926      1.00000
     10     -20.2736      1.00000
     11     -19.9547      1.00000
     12     -19.8898      1.00000
     13     -18.8794      1.00000
     14     -18.8116      1.00000
     15     -18.3497      1.00000
     16     -18.3044      1.00000
     17     -18.1505      1.00000
     18     -18.1336      1.00000
     19     -17.8238      1.00000
     20     -17.7870      1.00000
     21     -17.2492      1.00000
     22     -17.2389      1.00000
     23     -17.1624      1.00000
     24     -17.1303      1.00000
     25     -16.1074      1.00000
     26     -15.8828      1.00000
     27     -15.8677      1.00000
     28     -15.8313      1.00000
     29     -15.2339      1.00000
     30     -14.5522      1.00000
     31     -14.5245      1.00000
     32     -14.2776      1.00000
     33     -13.9612      1.00000
     34     -13.9536      1.00000
     35     -13.8178      1.00000
     36     -13.8016      1.00000
     37     -13.6115      1.00000
     38     -13.5685      1.00000
     39     -13.3674      1.00000
     40     -12.6318      1.00000
     41     -12.1777      1.00000
     42     -12.1306      1.00000
     43     -12.0690      1.00000
     44     -12.0173      1.00000
     45     -11.6668      1.00000
     46     -11.6536      1.00000
     47     -11.1357      1.00000
     48     -11.1156      1.00000
     49     -10.7914      1.00000
     50     -10.7285      1.00000
     51     -10.5213      1.00000
     52     -10.2062      1.00000
     53     -10.2026      1.00000
     54     -10.1630      1.00000
     55     -10.0151      1.00000
     56     -10.0023      1.00000
     57      -9.9879      1.00000
     58      -9.7987      1.00000
     59      -9.7950      1.00000
     60      -9.7596      1.00000
     61      -9.7548      1.00000
     62      -9.4516      1.00000
     63      -9.4141      1.00000
     64      -9.0766      1.00000
     65      -9.0700      1.00000
     66      -9.0387      1.00000
     67      -8.9523      1.00000
     68      -8.8747      1.00000
     69      -8.7093      1.00000
     70      -8.6973      1.00000
     71      -8.5631      1.00000
     72      -8.5400      1.00000
     73      -8.4966      1.00000
     74      -8.4599      1.00000
     75      -8.4513      1.00000
     76      -8.2567      1.00000
     77      -8.1237      1.00000
     78      -8.0406      1.00000
     79      -7.9129      1.00000
     80      -7.8597      1.00000
     81      -7.6145      1.00000
     82      -7.5455      1.00000
     83      -7.4924      1.00000
     84      -7.2576      1.00000
     85      -6.9924      1.00000
     86      -6.9203      1.00000
     87      -6.8794      1.00000
     88      -6.5292      1.00000
     89      -6.4843      1.00000
     90      -6.4582      1.00000
     91      -6.4080      1.00000
     92      -5.9799      1.00000
     93      -5.8943      1.00000
     94      -5.7822      1.00000
     95      -5.7571      1.00000
     96      -5.4268      1.00000
     97      -5.3258      1.00000
     98      -5.2282      1.00000
     99      -5.2152      1.00000
    100      -5.1857      1.00000
    101      -4.6864      1.00000
    102      -4.4134      1.00000
    103      -4.2030      1.00000
    104      -3.8242      1.00000
    105      -3.5191      1.00000
    106      -3.2722      1.00000
    107      -2.5300      0.00000
    108      -1.4539      0.00000
    109      -1.2659      0.00000
    110      -1.2017      0.00000
    111      -1.1707      0.00000
    112      -0.7176      0.00000
    113      -0.5021      0.00000
    114      -0.4109      0.00000
    115      -0.3376      0.00000
    116      -0.1448      0.00000
    117      -0.0010      0.00000
    118       0.1931      0.00000
    119       0.5609      0.00000
    120       0.6140      0.00000
    121       0.7953      0.00000
    122       0.9031      0.00000
    123       1.1294      0.00000
    124       1.4845      0.00000
    125       1.6256      0.00000
    126       1.8343      0.00000
    127       1.9165      0.00000
    128       2.0957      0.00000
    129       2.1076      0.00000
    130       2.1137      0.00000
    131       2.1735      0.00000
    132       2.2812      0.00000
    133       2.3139      0.00000
    134       2.4573      0.00000
    135       2.5701      0.00000
    136       2.6461      0.00000
    137       2.8475      0.00000
    138       2.8708      0.00000
    139       2.8897      0.00000
    140       2.9594      0.00000
    141       2.9885      0.00000
    142       3.1347      0.00000
    143       3.1481      0.00000
    144       3.1966      0.00000
    145       3.2627      0.00000
    146       3.2818      0.00000
    147       3.3001      0.00000
    148       3.3440      0.00000
    149       3.4128      0.00000
    150       3.4299      0.00000
    151       3.5320      0.00000
    152       3.6041      0.00000
    153       3.6728      0.00000
    154       3.6983      0.00000
    155       3.7646      0.00000
    156       3.8902      0.00000
    157       3.9023      0.00000
    158       3.9869      0.00000
    159       4.1177      0.00000
    160       4.2025      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3144      1.00000
      2     -21.9614      1.00000
      3     -21.8903      1.00000
      4     -21.3819      1.00000
      5     -21.3460      1.00000
      6     -20.8366      1.00000
      7     -20.7711      1.00000
      8     -20.6224      1.00000
      9     -20.0868      1.00000
     10     -20.0586      1.00000
     11     -19.7159      1.00000
     12     -19.6874      1.00000
     13     -19.0069      1.00000
     14     -18.9764      1.00000
     15     -18.6470      1.00000
     16     -18.6149      1.00000
     17     -18.4580      1.00000
     18     -17.6575      1.00000
     19     -17.6438      1.00000
     20     -17.6080      1.00000
     21     -17.5756      1.00000
     22     -17.1341      1.00000
     23     -17.0950      1.00000
     24     -16.9635      1.00000
     25     -16.0056      1.00000
     26     -15.9203      1.00000
     27     -15.5960      1.00000
     28     -15.5729      1.00000
     29     -15.2768      1.00000
     30     -14.8737      1.00000
     31     -14.8274      1.00000
     32     -14.5717      1.00000
     33     -14.5341      1.00000
     34     -14.1612      1.00000
     35     -14.1569      1.00000
     36     -13.1592      1.00000
     37     -13.0931      1.00000
     38     -13.0204      1.00000
     39     -13.0155      1.00000
     40     -12.7147      1.00000
     41     -12.6919      1.00000
     42     -12.3378      1.00000
     43     -12.3109      1.00000
     44     -11.6285      1.00000
     45     -11.6195      1.00000
     46     -11.5673      1.00000
     47     -10.9379      1.00000
     48     -10.9199      1.00000
     49     -10.6624      1.00000
     50     -10.5875      1.00000
     51     -10.5700      1.00000
     52     -10.4983      1.00000
     53     -10.4853      1.00000
     54     -10.4363      1.00000
     55     -10.3531      1.00000
     56     -10.1005      1.00000
     57      -9.8960      1.00000
     58      -9.6052      1.00000
     59      -9.5485      1.00000
     60      -9.4508      1.00000
     61      -9.4154      1.00000
     62      -9.4060      1.00000
     63      -9.3774      1.00000
     64      -9.3689      1.00000
     65      -9.2651      1.00000
     66      -9.1620      1.00000
     67      -9.1382      1.00000
     68      -9.1130      1.00000
     69      -8.8630      1.00000
     70      -8.8573      1.00000
     71      -8.8000      1.00000
     72      -8.5940      1.00000
     73      -8.5228      1.00000
     74      -8.1903      1.00000
     75      -8.1677      1.00000
     76      -8.0766      1.00000
     77      -7.8555      1.00000
     78      -7.8339      1.00000
     79      -7.8177      1.00000
     80      -7.7075      1.00000
     81      -7.6934      1.00000
     82      -7.5996      1.00000
     83      -7.5210      1.00000
     84      -7.3496      1.00000
     85      -7.1619      1.00000
     86      -6.9024      1.00000
     87      -6.8926      1.00000
     88      -6.5909      1.00000
     89      -6.5485      1.00000
     90      -6.4028      1.00000
     91      -6.2997      1.00000
     92      -6.2453      1.00000
     93      -6.1980      1.00000
     94      -6.0008      1.00000
     95      -5.5277      1.00000
     96      -5.4626      1.00000
     97      -5.3101      1.00000
     98      -5.2073      1.00000
     99      -5.0417      1.00000
    100      -4.7190      1.00000
    101      -4.6676      1.00000
    102      -4.4155      1.00000
    103      -4.1890      1.00000
    104      -3.8334      1.00000
    105      -3.6286      1.00000
    106      -3.4111      1.00000
    107      -2.2902      0.00000
    108      -1.5058      0.00000
    109      -1.2684      0.00000
    110      -1.2612      0.00000
    111      -1.0321      0.00000
    112      -0.9772      0.00000
    113      -0.8666      0.00000
    114      -0.7981      0.00000
    115      -0.2614      0.00000
    116       0.2059      0.00000
    117       0.2409      0.00000
    118       0.3596      0.00000
    119       0.6882      0.00000
    120       0.8950      0.00000
    121       0.9247      0.00000
    122       1.0386      0.00000
    123       1.1625      0.00000
    124       1.5041      0.00000
    125       1.5504      0.00000
    126       1.6981      0.00000
    127       1.7790      0.00000
    128       1.8245      0.00000
    129       1.9492      0.00000
    130       1.9735      0.00000
    131       2.1659      0.00000
    132       2.2490      0.00000
    133       2.4056      0.00000
    134       2.4280      0.00000
    135       2.5048      0.00000
    136       2.6006      0.00000
    137       2.6200      0.00000
    138       2.6966      0.00000
    139       2.7209      0.00000
    140       2.8444      0.00000
    141       3.0287      0.00000
    142       3.0542      0.00000
    143       3.1667      0.00000
    144       3.2105      0.00000
    145       3.2251      0.00000
    146       3.2643      0.00000
    147       3.3108      0.00000
    148       3.4338      0.00000
    149       3.5110      0.00000
    150       3.6891      0.00000
    151       3.7176      0.00000
    152       3.7299      0.00000
    153       3.8175      0.00000
    154       3.8635      0.00000
    155       3.9072      0.00000
    156       3.9594      0.00000
    157       3.9938      0.00000
    158       4.0078      0.00000
    159       4.0177      0.00000
    160       4.0710      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3867      1.00000
      2     -21.8278      1.00000
      3     -21.6388      1.00000
      4     -21.6044      1.00000
      5     -21.2759      1.00000
      6     -21.2298      1.00000
      7     -21.0542      1.00000
      8     -20.1683      1.00000
      9     -20.1231      1.00000
     10     -19.6140      1.00000
     11     -19.5885      1.00000
     12     -19.4130      1.00000
     13     -19.0916      1.00000
     14     -19.0532      1.00000
     15     -19.0497      1.00000
     16     -19.0361      1.00000
     17     -18.3640      1.00000
     18     -18.3447      1.00000
     19     -18.0138      1.00000
     20     -17.0685      1.00000
     21     -17.0209      1.00000
     22     -16.9470      1.00000
     23     -16.9335      1.00000
     24     -16.4720      1.00000
     25     -16.4606      1.00000
     26     -15.6068      1.00000
     27     -15.6061      1.00000
     28     -15.2467      1.00000
     29     -15.2348      1.00000
     30     -15.1881      1.00000
     31     -15.0994      1.00000
     32     -15.0655      1.00000
     33     -14.6955      1.00000
     34     -14.6946      1.00000
     35     -13.7220      1.00000
     36     -13.7220      1.00000
     37     -13.2322      1.00000
     38     -12.6213      1.00000
     39     -12.5768      1.00000
     40     -12.4519      1.00000
     41     -12.4465      1.00000
     42     -12.1020      1.00000
     43     -12.0970      1.00000
     44     -11.7184      1.00000
     45     -11.6806      1.00000
     46     -11.2427      1.00000
     47     -11.2214      1.00000
     48     -11.0144      1.00000
     49     -11.0029      1.00000
     50     -10.9245      1.00000
     51     -10.8965      1.00000
     52     -10.6310      1.00000
     53     -10.1694      1.00000
     54     -10.1466      1.00000
     55     -10.0820      1.00000
     56      -9.9870      1.00000
     57      -9.6926      1.00000
     58      -9.6860      1.00000
     59      -9.6689      1.00000
     60      -9.5894      1.00000
     61      -9.5657      1.00000
     62      -9.5502      1.00000
     63      -9.3095      1.00000
     64      -9.2970      1.00000
     65      -9.2794      1.00000
     66      -9.2404      1.00000
     67      -9.1200      1.00000
     68      -9.1091      1.00000
     69      -9.1082      1.00000
     70      -8.9374      1.00000
     71      -8.8728      1.00000
     72      -8.6010      1.00000
     73      -8.5841      1.00000
     74      -8.2701      1.00000
     75      -8.0978      1.00000
     76      -7.8650      1.00000
     77      -7.8415      1.00000
     78      -7.7885      1.00000
     79      -7.7623      1.00000
     80      -7.7519      1.00000
     81      -7.4354      1.00000
     82      -7.3321      1.00000
     83      -7.3191      1.00000
     84      -7.2633      1.00000
     85      -7.1644      1.00000
     86      -7.0122      1.00000
     87      -6.9831      1.00000
     88      -6.7150      1.00000
     89      -6.6902      1.00000
     90      -6.6291      1.00000
     91      -6.5870      1.00000
     92      -6.1143      1.00000
     93      -6.0562      1.00000
     94      -6.0422      1.00000
     95      -6.0255      1.00000
     96      -5.7452      1.00000
     97      -4.9660      1.00000
     98      -4.8352      1.00000
     99      -4.7060      1.00000
    100      -4.6711      1.00000
    101      -4.4758      1.00000
    102      -4.3438      1.00000
    103      -4.1090      1.00000
    104      -4.0522      1.00000
    105      -3.7478      1.00000
    106      -3.4570      1.00000
    107      -1.9470      0.00000
    108      -1.7693      0.00000
    109      -1.4788      0.00000
    110      -1.3533      0.00000
    111      -1.3356      0.00000
    112      -1.2902      0.00000
    113      -0.6778      0.00000
    114      -0.4698      0.00000
    115      -0.2333      0.00000
    116       0.0505      0.00000
    117       0.5845      0.00000
    118       0.6949      0.00000
    119       0.7698      0.00000
    120       1.0195      0.00000
    121       1.0992      0.00000
    122       1.1739      0.00000
    123       1.2485      0.00000
    124       1.3346      0.00000
    125       1.4301      0.00000
    126       1.5812      0.00000
    127       1.7428      0.00000
    128       1.8429      0.00000
    129       1.8587      0.00000
    130       1.8872      0.00000
    131       2.0329      0.00000
    132       2.2116      0.00000
    133       2.2252      0.00000
    134       2.2723      0.00000
    135       2.4675      0.00000
    136       2.5821      0.00000
    137       2.6219      0.00000
    138       2.7405      0.00000
    139       2.7521      0.00000
    140       2.8348      0.00000
    141       2.8404      0.00000
    142       2.8407      0.00000
    143       2.9230      0.00000
    144       3.0693      0.00000
    145       3.2829      0.00000
    146       3.3376      0.00000
    147       3.3700      0.00000
    148       3.3907      0.00000
    149       3.3973      0.00000
    150       3.5498      0.00000
    151       3.6115      0.00000
    152       3.6387      0.00000
    153       3.7114      0.00000
    154       3.8784      0.00000
    155       3.9019      0.00000
    156       3.9319      0.00000
    157       4.0923      0.00000
    158       4.1786      0.00000
    159       4.2056      0.00000
    160       4.2636      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2058      1.00000
      2     -22.1171      1.00000
      3     -21.9544      1.00000
      4     -21.4021      1.00000
      5     -21.0433      1.00000
      6     -21.0153      1.00000
      7     -20.4930      1.00000
      8     -20.4636      1.00000
      9     -20.2839      1.00000
     10     -20.2816      1.00000
     11     -19.9536      1.00000
     12     -19.8916      1.00000
     13     -18.8802      1.00000
     14     -18.8138      1.00000
     15     -18.3347      1.00000
     16     -18.3155      1.00000
     17     -18.1466      1.00000
     18     -18.1389      1.00000
     19     -17.8130      1.00000
     20     -17.7947      1.00000
     21     -17.2553      1.00000
     22     -17.2359      1.00000
     23     -17.1570      1.00000
     24     -17.1331      1.00000
     25     -16.1138      1.00000
     26     -15.8777      1.00000
     27     -15.8667      1.00000
     28     -15.8378      1.00000
     29     -15.2277      1.00000
     30     -14.5480      1.00000
     31     -14.5298      1.00000
     32     -14.2724      1.00000
     33     -13.9719      1.00000
     34     -13.9485      1.00000
     35     -13.8213      1.00000
     36     -13.8000      1.00000
     37     -13.6011      1.00000
     38     -13.5757      1.00000
     39     -13.3676      1.00000
     40     -12.6359      1.00000
     41     -12.1658      1.00000
     42     -12.1395      1.00000
     43     -12.0648      1.00000
     44     -12.0187      1.00000
     45     -11.6616      1.00000
     46     -11.6570      1.00000
     47     -11.1336      1.00000
     48     -11.1229      1.00000
     49     -10.7872      1.00000
     50     -10.7318      1.00000
     51     -10.5283      1.00000
     52     -10.2049      1.00000
     53     -10.1989      1.00000
     54     -10.1686      1.00000
     55     -10.0193      1.00000
     56      -9.9920      1.00000
     57      -9.9873      1.00000
     58      -9.8027      1.00000
     59      -9.7927      1.00000
     60      -9.7617      1.00000
     61      -9.7540      1.00000
     62      -9.4517      1.00000
     63      -9.4141      1.00000
     64      -9.0814      1.00000
     65      -9.0430      1.00000
     66      -9.0232      1.00000
     67      -8.9664      1.00000
     68      -8.8942      1.00000
     69      -8.7049      1.00000
     70      -8.6958      1.00000
     71      -8.5573      1.00000
     72      -8.5465      1.00000
     73      -8.4767      1.00000
     74      -8.4566      1.00000
     75      -8.4536      1.00000
     76      -8.3027      1.00000
     77      -8.0914      1.00000
     78      -8.0888      1.00000
     79      -7.9244      1.00000
     80      -7.8308      1.00000
     81      -7.5985      1.00000
     82      -7.5338      1.00000
     83      -7.4507      1.00000
     84      -7.2985      1.00000
     85      -6.9897      1.00000
     86      -6.9167      1.00000
     87      -6.8793      1.00000
     88      -6.5250      1.00000
     89      -6.5126      1.00000
     90      -6.4780      1.00000
     91      -6.4187      1.00000
     92      -5.9228      1.00000
     93      -5.9019      1.00000
     94      -5.7867      1.00000
     95      -5.7719      1.00000
     96      -5.3654      1.00000
     97      -5.3583      1.00000
     98      -5.2176      1.00000
     99      -5.2135      1.00000
    100      -5.1961      1.00000
    101      -4.7151      1.00000
    102      -4.4327      1.00000
    103      -4.1853      1.00000
    104      -3.8103      1.00000
    105      -3.5561      1.00000
    106      -3.2203      1.00000
    107      -2.5600      0.00000
    108      -1.4589      0.00000
    109      -1.2669      0.00000
    110      -1.1832      0.00000
    111      -1.1821      0.00000
    112      -0.6429      0.00000
    113      -0.5511      0.00000
    114      -0.4133      0.00000
    115      -0.3458      0.00000
    116      -0.0768      0.00000
    117      -0.0623      0.00000
    118       0.1264      0.00000
    119       0.5949      0.00000
    120       0.6276      0.00000
    121       0.8518      0.00000
    122       0.9834      0.00000
    123       1.0003      0.00000
    124       1.4877      0.00000
    125       1.6736      0.00000
    126       1.7516      0.00000
    127       1.8437      0.00000
    128       2.0964      0.00000
    129       2.1079      0.00000
    130       2.1756      0.00000
    131       2.2122      0.00000
    132       2.2504      0.00000
    133       2.3313      0.00000
    134       2.4922      0.00000
    135       2.4928      0.00000
    136       2.6508      0.00000
    137       2.8544      0.00000
    138       2.8598      0.00000
    139       2.9433      0.00000
    140       2.9449      0.00000
    141       3.0007      0.00000
    142       3.1325      0.00000
    143       3.1611      0.00000
    144       3.2061      0.00000
    145       3.2417      0.00000
    146       3.2761      0.00000
    147       3.3033      0.00000
    148       3.3522      0.00000
    149       3.4012      0.00000
    150       3.5338      0.00000
    151       3.5554      0.00000
    152       3.6359      0.00000
    153       3.6412      0.00000
    154       3.6724      0.00000
    155       3.6957      0.00000
    156       3.8956      0.00000
    157       3.9190      0.00000
    158       4.0159      0.00000
    159       4.0641      0.00000
    160       4.1664      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2801      1.00000
      2     -22.0762      1.00000
      3     -21.7175      1.00000
      4     -21.6790      1.00000
      5     -20.9797      1.00000
      6     -20.9329      1.00000
      7     -20.6082      1.00000
      8     -20.5768      1.00000
      9     -20.5634      1.00000
     10     -20.0297      1.00000
     11     -19.5102      1.00000
     12     -19.4810      1.00000
     13     -19.3090      1.00000
     14     -19.2962      1.00000
     15     -18.4464      1.00000
     16     -18.4041      1.00000
     17     -17.9247      1.00000
     18     -17.9049      1.00000
     19     -17.7625      1.00000
     20     -17.7184      1.00000
     21     -17.4388      1.00000
     22     -17.4208      1.00000
     23     -17.3351      1.00000
     24     -16.4682      1.00000
     25     -16.4583      1.00000
     26     -15.9676      1.00000
     27     -15.4081      1.00000
     28     -15.4073      1.00000
     29     -15.0932      1.00000
     30     -15.0901      1.00000
     31     -14.8497      1.00000
     32     -14.8378      1.00000
     33     -14.2951      1.00000
     34     -14.2510      1.00000
     35     -13.4414      1.00000
     36     -13.3972      1.00000
     37     -13.1721      1.00000
     38     -13.1707      1.00000
     39     -12.9828      1.00000
     40     -12.9739      1.00000
     41     -12.6077      1.00000
     42     -12.6056      1.00000
     43     -12.1936      1.00000
     44     -11.5762      1.00000
     45     -11.5360      1.00000
     46     -11.3104      1.00000
     47     -11.2806      1.00000
     48     -11.1386      1.00000
     49     -10.6884      1.00000
     50     -10.6597      1.00000
     51     -10.5419      1.00000
     52     -10.3188      1.00000
     53     -10.3115      1.00000
     54     -10.1731      1.00000
     55     -10.1180      1.00000
     56     -10.1058      1.00000
     57      -9.8086      1.00000
     58      -9.7490      1.00000
     59      -9.7486      1.00000
     60      -9.6993      1.00000
     61      -9.6956      1.00000
     62      -9.6445      1.00000
     63      -9.3494      1.00000
     64      -9.3482      1.00000
     65      -9.3154      1.00000
     66      -9.0251      1.00000
     67      -8.9579      1.00000
     68      -8.9544      1.00000
     69      -8.7733      1.00000
     70      -8.5891      1.00000
     71      -8.5836      1.00000
     72      -8.4204      1.00000
     73      -8.3472      1.00000
     74      -8.3186      1.00000
     75      -8.2998      1.00000
     76      -8.2625      1.00000
     77      -8.2515      1.00000
     78      -8.2365      1.00000
     79      -7.9234      1.00000
     80      -7.7338      1.00000
     81      -7.3766      1.00000
     82      -7.3461      1.00000
     83      -7.3090      1.00000
     84      -7.2142      1.00000
     85      -7.1571      1.00000
     86      -7.0662      1.00000
     87      -6.9583      1.00000
     88      -6.9054      1.00000
     89      -6.6107      1.00000
     90      -6.5533      1.00000
     91      -6.2683      1.00000
     92      -5.9926      1.00000
     93      -5.9567      1.00000
     94      -5.6720      1.00000
     95      -5.6453      1.00000
     96      -5.3828      1.00000
     97      -5.3118      1.00000
     98      -5.2906      1.00000
     99      -5.2097      1.00000
    100      -5.1981      1.00000
    101      -4.5009      1.00000
    102      -4.3298      1.00000
    103      -3.9930      1.00000
    104      -3.8826      1.00000
    105      -3.7855      1.00000
    106      -3.4359      1.00000
    107      -2.0309      0.00000
    108      -1.8615      0.00000
    109      -1.2149      0.00000
    110      -1.1835      0.00000
    111      -1.0338      0.00000
    112      -0.7703      0.00000
    113      -0.6778      0.00000
    114      -0.6575      0.00000
    115      -0.6074      0.00000
    116      -0.1031      0.00000
    117       0.2250      0.00000
    118       0.2393      0.00000
    119       0.7668      0.00000
    120       0.9815      0.00000
    121       1.0750      0.00000
    122       1.2411      0.00000
    123       1.2514      0.00000
    124       1.3355      0.00000
    125       1.5753      0.00000
    126       1.5870      0.00000
    127       1.6922      0.00000
    128       1.7763      0.00000
    129       1.9386      0.00000
    130       1.9471      0.00000
    131       2.0548      0.00000
    132       2.2694      0.00000
    133       2.3400      0.00000
    134       2.4127      0.00000
    135       2.5224      0.00000
    136       2.6177      0.00000
    137       2.7331      0.00000
    138       2.7880      0.00000
    139       2.8386      0.00000
    140       2.8410      0.00000
    141       3.0058      0.00000
    142       3.0942      0.00000
    143       3.1424      0.00000
    144       3.1987      0.00000
    145       3.3629      0.00000
    146       3.4065      0.00000
    147       3.4774      0.00000
    148       3.5071      0.00000
    149       3.5873      0.00000
    150       3.5889      0.00000
    151       3.6244      0.00000
    152       3.7277      0.00000
    153       3.7311      0.00000
    154       3.7496      0.00000
    155       3.7811      0.00000
    156       3.8595      0.00000
    157       4.0059      0.00000
    158       4.0763      0.00000
    159       4.1540      0.00000
    160       4.1897      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4235      1.00000
      2     -21.5985      1.00000
      3     -21.4789      1.00000
      4     -21.4700      1.00000
      5     -21.4389      1.00000
      6     -21.4383      1.00000
      7     -21.4279      1.00000
      8     -19.7035      1.00000
      9     -19.6495      1.00000
     10     -19.6270      1.00000
     11     -19.6160      1.00000
     12     -19.6109      1.00000
     13     -19.6098      1.00000
     14     -18.7865      1.00000
     15     -18.7517      1.00000
     16     -18.7323      1.00000
     17     -18.7233      1.00000
     18     -18.7154      1.00000
     19     -18.7106      1.00000
     20     -16.6311      1.00000
     21     -16.6052      1.00000
     22     -16.5827      1.00000
     23     -16.5788      1.00000
     24     -16.5514      1.00000
     25     -16.5503      1.00000
     26     -15.6123      1.00000
     27     -15.5991      1.00000
     28     -15.5954      1.00000
     29     -15.5620      1.00000
     30     -15.5602      1.00000
     31     -15.5589      1.00000
     32     -14.2565      1.00000
     33     -14.2474      1.00000
     34     -14.2378      1.00000
     35     -14.2327      1.00000
     36     -14.2194      1.00000
     37     -14.2170      1.00000
     38     -11.9028      1.00000
     39     -11.8761      1.00000
     40     -11.8644      1.00000
     41     -11.8615      1.00000
     42     -11.8417      1.00000
     43     -11.8416      1.00000
     44     -11.7678      1.00000
     45     -11.7656      1.00000
     46     -11.7326      1.00000
     47     -11.7263      1.00000
     48     -11.7224      1.00000
     49     -11.7195      1.00000
     50     -10.6705      1.00000
     51     -10.3851      1.00000
     52     -10.3805      1.00000
     53     -10.3732      1.00000
     54     -10.3659      1.00000
     55     -10.3530      1.00000
     56     -10.3505      1.00000
     57      -9.8987      1.00000
     58      -9.4465      1.00000
     59      -9.4032      1.00000
     60      -9.3609      1.00000
     61      -9.3602      1.00000
     62      -9.3524      1.00000
     63      -9.1387      1.00000
     64      -9.1190      1.00000
     65      -9.1173      1.00000
     66      -9.0821      1.00000
     67      -9.0688      1.00000
     68      -9.0678      1.00000
     69      -9.0670      1.00000
     70      -9.0614      1.00000
     71      -9.0612      1.00000
     72      -9.0349      1.00000
     73      -9.0259      1.00000
     74      -9.0235      1.00000
     75      -8.1353      1.00000
     76      -7.7286      1.00000
     77      -7.4664      1.00000
     78      -7.4638      1.00000
     79      -7.4506      1.00000
     80      -7.4308      1.00000
     81      -7.4221      1.00000
     82      -7.4032      1.00000
     83      -7.3093      1.00000
     84      -7.2679      1.00000
     85      -7.2550      1.00000
     86      -7.2467      1.00000
     87      -7.1550      1.00000
     88      -7.0425      1.00000
     89      -6.4446      1.00000
     90      -6.4125      1.00000
     91      -6.3979      1.00000
     92      -6.3611      1.00000
     93      -6.3508      1.00000
     94      -6.3377      1.00000
     95      -5.9555      1.00000
     96      -5.9549      1.00000
     97      -4.7936      1.00000
     98      -4.5378      1.00000
     99      -4.4777      1.00000
    100      -4.4690      1.00000
    101      -4.3801      1.00000
    102      -4.3798      1.00000
    103      -4.2635      1.00000
    104      -4.1827      1.00000
    105      -3.7321      1.00000
    106      -3.4686      1.00000
    107      -1.8579      0.00000
    108      -1.6720      0.00000
    109      -1.6213      0.00000
    110      -1.5893      0.00000
    111      -1.5741      0.00000
    112      -1.5732      0.00000
    113      -0.4274      0.00000
    114       0.1446      0.00000
    115       0.1943      0.00000
    116       0.2579      0.00000
    117       0.2692      0.00000
    118       0.2729      0.00000
    119       0.4755      0.00000
    120       0.5459      0.00000
    121       1.2390      0.00000
    122       1.2880      0.00000
    123       1.5117      0.00000
    124       1.7713      0.00000
    125       1.7728      0.00000
    126       1.7743      0.00000
    127       1.7759      0.00000
    128       1.8310      0.00000
    129       1.9607      0.00000
    130       1.9686      0.00000
    131       1.9766      0.00000
    132       1.9910      0.00000
    133       1.9988      0.00000
    134       2.0746      0.00000
    135       2.2414      0.00000
    136       2.3283      0.00000
    137       2.5963      0.00000
    138       2.5969      0.00000
    139       2.6232      0.00000
    140       2.6623      0.00000
    141       2.9284      0.00000
    142       3.0143      0.00000
    143       3.0343      0.00000
    144       3.0589      0.00000
    145       3.0607      0.00000
    146       3.0629      0.00000
    147       3.0762      0.00000
    148       3.2473      0.00000
    149       3.4205      0.00000
    150       3.4841      0.00000
    151       3.7902      0.00000
    152       3.8923      0.00000
    153       3.8939      0.00000
    154       3.8958      0.00000
    155       3.9328      0.00000
    156       3.9827      0.00000
    157       4.1704      0.00000
    158       4.2611      0.00000
    159       4.2621      0.00000
    160       4.2823      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3868      1.00000
      2     -21.8275      1.00000
      3     -21.6357      1.00000
      4     -21.6082      1.00000
      5     -21.2717      1.00000
      6     -21.2331      1.00000
      7     -21.0547      1.00000
      8     -20.1647      1.00000
      9     -20.1273      1.00000
     10     -19.6058      1.00000
     11     -19.5948      1.00000
     12     -19.4148      1.00000
     13     -19.0864      1.00000
     14     -19.0575      1.00000
     15     -19.0467      1.00000
     16     -19.0389      1.00000
     17     -18.3580      1.00000
     18     -18.3496      1.00000
     19     -18.0165      1.00000
     20     -17.0659      1.00000
     21     -17.0279      1.00000
     22     -16.9417      1.00000
     23     -16.9370      1.00000
     24     -16.4650      1.00000
     25     -16.4602      1.00000
     26     -15.6113      1.00000
     27     -15.6044      1.00000
     28     -15.2499      1.00000
     29     -15.2407      1.00000
     30     -15.1819      1.00000
     31     -15.0951      1.00000
     32     -15.0685      1.00000
     33     -14.6957      1.00000
     34     -14.6936      1.00000
     35     -13.7237      1.00000
     36     -13.7209      1.00000
     37     -13.2330      1.00000
     38     -12.6111      1.00000
     39     -12.5811      1.00000
     40     -12.4515      1.00000
     41     -12.4477      1.00000
     42     -12.1065      1.00000
     43     -12.1016      1.00000
     44     -11.7139      1.00000
     45     -11.6834      1.00000
     46     -11.2320      1.00000
     47     -11.2228      1.00000
     48     -11.0148      1.00000
     49     -11.0070      1.00000
     50     -10.9236      1.00000
     51     -10.9023      1.00000
     52     -10.6249      1.00000
     53     -10.1519      1.00000
     54     -10.1478      1.00000
     55     -10.0892      1.00000
     56      -9.9944      1.00000
     57      -9.7001      1.00000
     58      -9.6919      1.00000
     59      -9.6538      1.00000
     60      -9.5890      1.00000
     61      -9.5734      1.00000
     62      -9.5561      1.00000
     63      -9.3042      1.00000
     64      -9.3006      1.00000
     65      -9.2714      1.00000
     66      -9.2330      1.00000
     67      -9.1343      1.00000
     68      -9.1128      1.00000
     69      -9.1080      1.00000
     70      -8.9379      1.00000
     71      -8.8689      1.00000
     72      -8.6011      1.00000
     73      -8.5879      1.00000
     74      -8.2373      1.00000
     75      -8.0978      1.00000
     76      -7.9067      1.00000
     77      -7.8605      1.00000
     78      -7.7689      1.00000
     79      -7.7541      1.00000
     80      -7.6938      1.00000
     81      -7.5503      1.00000
     82      -7.3361      1.00000
     83      -7.3196      1.00000
     84      -7.2033      1.00000
     85      -7.1191      1.00000
     86      -7.0303      1.00000
     87      -7.0090      1.00000
     88      -6.7020      1.00000
     89      -6.6764      1.00000
     90      -6.6389      1.00000
     91      -6.5947      1.00000
     92      -6.1130      1.00000
     93      -6.0594      1.00000
     94      -6.0280      1.00000
     95      -6.0087      1.00000
     96      -5.7804      1.00000
     97      -4.9657      1.00000
     98      -4.8281      1.00000
     99      -4.7438      1.00000
    100      -4.6767      1.00000
    101      -4.4599      1.00000
    102      -4.1976      1.00000
    103      -4.1676      1.00000
    104      -4.1249      1.00000
    105      -3.7228      1.00000
    106      -3.4785      1.00000
    107      -1.8674      0.00000
    108      -1.8087      0.00000
    109      -1.5213      0.00000
    110      -1.3763      0.00000
    111      -1.3198      0.00000
    112      -1.2861      0.00000
    113      -0.7177      0.00000
    114      -0.3746      0.00000
    115      -0.2491      0.00000
    116       0.0359      0.00000
    117       0.5532      0.00000
    118       0.6985      0.00000
    119       0.7475      0.00000
    120       1.0469      0.00000
    121       1.1016      0.00000
    122       1.1486      0.00000
    123       1.2268      0.00000
    124       1.3743      0.00000
    125       1.5144      0.00000
    126       1.5702      0.00000
    127       1.7106      0.00000
    128       1.7942      0.00000
    129       1.8563      0.00000
    130       1.8822      0.00000
    131       2.0876      0.00000
    132       2.1804      0.00000
    133       2.2349      0.00000
    134       2.2924      0.00000
    135       2.4984      0.00000
    136       2.5733      0.00000
    137       2.6023      0.00000
    138       2.7498      0.00000
    139       2.7847      0.00000
    140       2.8235      0.00000
    141       2.8274      0.00000
    142       2.8791      0.00000
    143       2.9232      0.00000
    144       3.0639      0.00000
    145       3.1401      0.00000
    146       3.2851      0.00000
    147       3.3490      0.00000
    148       3.3993      0.00000
    149       3.4372      0.00000
    150       3.5736      0.00000
    151       3.6232      0.00000
    152       3.6272      0.00000
    153       3.6834      0.00000
    154       3.8750      0.00000
    155       3.9387      0.00000
    156       4.0007      0.00000
    157       4.0517      0.00000
    158       4.1906      0.00000
    159       4.2227      0.00000
    160       4.2595      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2805      1.00000
      2     -22.0756      1.00000
      3     -21.7140      1.00000
      4     -21.6827      1.00000
      5     -20.9764      1.00000
      6     -20.9367      1.00000
      7     -20.6089      1.00000
      8     -20.5728      1.00000
      9     -20.5669      1.00000
     10     -20.0302      1.00000
     11     -19.5006      1.00000
     12     -19.4889      1.00000
     13     -19.3043      1.00000
     14     -19.2991      1.00000
     15     -18.4447      1.00000
     16     -18.4086      1.00000
     17     -17.9196      1.00000
     18     -17.9102      1.00000
     19     -17.7585      1.00000
     20     -17.7235      1.00000
     21     -17.4333      1.00000
     22     -17.4257      1.00000
     23     -17.3384      1.00000
     24     -16.4599      1.00000
     25     -16.4587      1.00000
     26     -15.9643      1.00000
     27     -15.4113      1.00000
     28     -15.4060      1.00000
     29     -15.0936      1.00000
     30     -15.0904      1.00000
     31     -14.8524      1.00000
     32     -14.8446      1.00000
     33     -14.2873      1.00000
     34     -14.2548      1.00000
     35     -13.4336      1.00000
     36     -13.4014      1.00000
     37     -13.1746      1.00000
     38     -13.1710      1.00000
     39     -12.9790      1.00000
     40     -12.9741      1.00000
     41     -12.6103      1.00000
     42     -12.6068      1.00000
     43     -12.1949      1.00000
     44     -11.5731      1.00000
     45     -11.5398      1.00000
     46     -11.3075      1.00000
     47     -11.2849      1.00000
     48     -11.1391      1.00000
     49     -10.6718      1.00000
     50     -10.6575      1.00000
     51     -10.5470      1.00000
     52     -10.3206      1.00000
     53     -10.3146      1.00000
     54     -10.1684      1.00000
     55     -10.1119      1.00000
     56     -10.1092      1.00000
     57      -9.7954      1.00000
     58      -9.7621      1.00000
     59      -9.7486      1.00000
     60      -9.6969      1.00000
     61      -9.6948      1.00000
     62      -9.6594      1.00000
     63      -9.3519      1.00000
     64      -9.3480      1.00000
     65      -9.3123      1.00000
     66      -9.0379      1.00000
     67      -8.9595      1.00000
     68      -8.9465      1.00000
     69      -8.7965      1.00000
     70      -8.5909      1.00000
     71      -8.5563      1.00000
     72      -8.3950      1.00000
     73      -8.3628      1.00000
     74      -8.3214      1.00000
     75      -8.3035      1.00000
     76      -8.2556      1.00000
     77      -8.2548      1.00000
     78      -8.2332      1.00000
     79      -7.9067      1.00000
     80      -7.6495      1.00000
     81      -7.5394      1.00000
     82      -7.3835      1.00000
     83      -7.3462      1.00000
     84      -7.2280      1.00000
     85      -7.0962      1.00000
     86      -7.0354      1.00000
     87      -6.9326      1.00000
     88      -6.8436      1.00000
     89      -6.6092      1.00000
     90      -6.5559      1.00000
     91      -6.2666      1.00000
     92      -6.0400      1.00000
     93      -5.9491      1.00000
     94      -5.6598      1.00000
     95      -5.6198      1.00000
     96      -5.4576      1.00000
     97      -5.3167      1.00000
     98      -5.2764      1.00000
     99      -5.2117      1.00000
    100      -5.1913      1.00000
    101      -4.4970      1.00000
    102      -4.2013      1.00000
    103      -4.0527      1.00000
    104      -3.9861      1.00000
    105      -3.6887      1.00000
    106      -3.4886      1.00000
    107      -1.9436      0.00000
    108      -1.8962      0.00000
    109      -1.3346      0.00000
    110      -1.0835      0.00000
    111      -1.0570      0.00000
    112      -0.7982      0.00000
    113      -0.6771      0.00000
    114      -0.6449      0.00000
    115      -0.6052      0.00000
    116      -0.1084      0.00000
    117       0.2172      0.00000
    118       0.3290      0.00000
    119       0.6923      0.00000
    120       0.8835      0.00000
    121       1.1251      0.00000
    122       1.2003      0.00000
    123       1.3238      0.00000
    124       1.4155      0.00000
    125       1.5536      0.00000
    126       1.5772      0.00000
    127       1.6728      0.00000
    128       1.7979      0.00000
    129       1.8595      0.00000
    130       2.0405      0.00000
    131       2.0972      0.00000
    132       2.3071      0.00000
    133       2.3530      0.00000
    134       2.3898      0.00000
    135       2.5284      0.00000
    136       2.6208      0.00000
    137       2.7202      0.00000
    138       2.7240      0.00000
    139       2.7855      0.00000
    140       2.8574      0.00000
    141       3.0102      0.00000
    142       3.0501      0.00000
    143       3.1473      0.00000
    144       3.2497      0.00000
    145       3.3517      0.00000
    146       3.4005      0.00000
    147       3.4161      0.00000
    148       3.5365      0.00000
    149       3.5511      0.00000
    150       3.5826      0.00000
    151       3.6521      0.00000
    152       3.6628      0.00000
    153       3.7574      0.00000
    154       3.7703      0.00000
    155       3.7835      0.00000
    156       3.8740      0.00000
    157       3.9102      0.00000
    158       3.9769      0.00000
    159       4.1949      0.00000
    160       4.2051      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3146      1.00000
      2     -21.9598      1.00000
      3     -21.8918      1.00000
      4     -21.3783      1.00000
      5     -21.3494      1.00000
      6     -20.8367      1.00000
      7     -20.7726      1.00000
      8     -20.6217      1.00000
      9     -20.0749      1.00000
     10     -20.0693      1.00000
     11     -19.7144      1.00000
     12     -19.6900      1.00000
     13     -18.9937      1.00000
     14     -18.9879      1.00000
     15     -18.6379      1.00000
     16     -18.6220      1.00000
     17     -18.4597      1.00000
     18     -17.6721      1.00000
     19     -17.6224      1.00000
     20     -17.6197      1.00000
     21     -17.5784      1.00000
     22     -17.1238      1.00000
     23     -17.1022      1.00000
     24     -16.9589      1.00000
     25     -15.9986      1.00000
     26     -15.9269      1.00000
     27     -15.5830      1.00000
     28     -15.5827      1.00000
     29     -15.2843      1.00000
     30     -14.8612      1.00000
     31     -14.8340      1.00000
     32     -14.5761      1.00000
     33     -14.5349      1.00000
     34     -14.1654      1.00000
     35     -14.1523      1.00000
     36     -13.1450      1.00000
     37     -13.0976      1.00000
     38     -13.0273      1.00000
     39     -13.0170      1.00000
     40     -12.7063      1.00000
     41     -12.7022      1.00000
     42     -12.3382      1.00000
     43     -12.3075      1.00000
     44     -11.6329      1.00000
     45     -11.6192      1.00000
     46     -11.5691      1.00000
     47     -10.9460      1.00000
     48     -10.9136      1.00000
     49     -10.6274      1.00000
     50     -10.6217      1.00000
     51     -10.5431      1.00000
     52     -10.4963      1.00000
     53     -10.4960      1.00000
     54     -10.4368      1.00000
     55     -10.3578      1.00000
     56     -10.0964      1.00000
     57      -9.9017      1.00000
     58      -9.6057      1.00000
     59      -9.5540      1.00000
     60      -9.4504      1.00000
     61      -9.4088      1.00000
     62      -9.4016      1.00000
     63      -9.3747      1.00000
     64      -9.3746      1.00000
     65      -9.2842      1.00000
     66      -9.1657      1.00000
     67      -9.1401      1.00000
     68      -9.1113      1.00000
     69      -8.8612      1.00000
     70      -8.8539      1.00000
     71      -8.8131      1.00000
     72      -8.5951      1.00000
     73      -8.4780      1.00000
     74      -8.1958      1.00000
     75      -8.1605      1.00000
     76      -8.0108      1.00000
     77      -7.9544      1.00000
     78      -7.8480      1.00000
     79      -7.8375      1.00000
     80      -7.7032      1.00000
     81      -7.6933      1.00000
     82      -7.6227      1.00000
     83      -7.4425      1.00000
     84      -7.3036      1.00000
     85      -7.2439      1.00000
     86      -6.9028      1.00000
     87      -6.8897      1.00000
     88      -6.5868      1.00000
     89      -6.5480      1.00000
     90      -6.4036      1.00000
     91      -6.2508      1.00000
     92      -6.2300      1.00000
     93      -6.2021      1.00000
     94      -6.0201      1.00000
     95      -5.5465      1.00000
     96      -5.4854      1.00000
     97      -5.3459      1.00000
     98      -5.2178      1.00000
     99      -4.9764      1.00000
    100      -4.7257      1.00000
    101      -4.6742      1.00000
    102      -4.3808      1.00000
    103      -4.1966      1.00000
    104      -3.8618      1.00000
    105      -3.5435      1.00000
    106      -3.4999      1.00000
    107      -2.2557      0.00000
    108      -1.4525      0.00000
    109      -1.3707      0.00000
    110      -1.2403      0.00000
    111      -1.0950      0.00000
    112      -0.9433      0.00000
    113      -0.8620      0.00000
    114      -0.8014      0.00000
    115      -0.1402      0.00000
    116       0.1107      0.00000
    117       0.2423      0.00000
    118       0.3785      0.00000
    119       0.6500      0.00000
    120       0.8353      0.00000
    121       0.9382      0.00000
    122       1.0609      0.00000
    123       1.2322      0.00000
    124       1.4382      0.00000
    125       1.5417      0.00000
    126       1.7681      0.00000
    127       1.7863      0.00000
    128       1.8529      0.00000
    129       1.9609      0.00000
    130       2.0285      0.00000
    131       2.1680      0.00000
    132       2.1773      0.00000
    133       2.4003      0.00000
    134       2.4220      0.00000
    135       2.5067      0.00000
    136       2.6061      0.00000
    137       2.6354      0.00000
    138       2.6940      0.00000
    139       2.7391      0.00000
    140       2.8208      0.00000
    141       2.9393      0.00000
    142       3.0541      0.00000
    143       3.1775      0.00000
    144       3.1860      0.00000
    145       3.2249      0.00000
    146       3.2661      0.00000
    147       3.3012      0.00000
    148       3.4473      0.00000
    149       3.4908      0.00000
    150       3.6919      0.00000
    151       3.7037      0.00000
    152       3.7169      0.00000
    153       3.8534      0.00000
    154       3.8870      0.00000
    155       3.9114      0.00000
    156       3.9669      0.00000
    157       3.9878      0.00000
    158       4.0159      0.00000
    159       4.0263      0.00000
    160       4.0323      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2068      1.00000
      2     -22.1157      1.00000
      3     -21.9547      1.00000
      4     -21.4020      1.00000
      5     -21.0470      1.00000
      6     -21.0117      1.00000
      7     -20.4978      1.00000
      8     -20.4590      1.00000
      9     -20.2926      1.00000
     10     -20.2736      1.00000
     11     -19.9547      1.00000
     12     -19.8898      1.00000
     13     -18.8794      1.00000
     14     -18.8116      1.00000
     15     -18.3497      1.00000
     16     -18.3044      1.00000
     17     -18.1505      1.00000
     18     -18.1336      1.00000
     19     -17.8238      1.00000
     20     -17.7870      1.00000
     21     -17.2492      1.00000
     22     -17.2389      1.00000
     23     -17.1624      1.00000
     24     -17.1303      1.00000
     25     -16.1074      1.00000
     26     -15.8828      1.00000
     27     -15.8677      1.00000
     28     -15.8313      1.00000
     29     -15.2339      1.00000
     30     -14.5522      1.00000
     31     -14.5245      1.00000
     32     -14.2776      1.00000
     33     -13.9612      1.00000
     34     -13.9536      1.00000
     35     -13.8178      1.00000
     36     -13.8016      1.00000
     37     -13.6115      1.00000
     38     -13.5685      1.00000
     39     -13.3674      1.00000
     40     -12.6318      1.00000
     41     -12.1777      1.00000
     42     -12.1306      1.00000
     43     -12.0690      1.00000
     44     -12.0173      1.00000
     45     -11.6668      1.00000
     46     -11.6536      1.00000
     47     -11.1357      1.00000
     48     -11.1156      1.00000
     49     -10.7914      1.00000
     50     -10.7285      1.00000
     51     -10.5213      1.00000
     52     -10.2062      1.00000
     53     -10.2026      1.00000
     54     -10.1630      1.00000
     55     -10.0151      1.00000
     56     -10.0023      1.00000
     57      -9.9879      1.00000
     58      -9.7987      1.00000
     59      -9.7950      1.00000
     60      -9.7596      1.00000
     61      -9.7548      1.00000
     62      -9.4516      1.00000
     63      -9.4141      1.00000
     64      -9.0766      1.00000
     65      -9.0700      1.00000
     66      -9.0387      1.00000
     67      -8.9523      1.00000
     68      -8.8747      1.00000
     69      -8.7093      1.00000
     70      -8.6973      1.00000
     71      -8.5631      1.00000
     72      -8.5400      1.00000
     73      -8.4966      1.00000
     74      -8.4599      1.00000
     75      -8.4513      1.00000
     76      -8.2566      1.00000
     77      -8.1237      1.00000
     78      -8.0406      1.00000
     79      -7.9129      1.00000
     80      -7.8597      1.00000
     81      -7.6145      1.00000
     82      -7.5455      1.00000
     83      -7.4924      1.00000
     84      -7.2576      1.00000
     85      -6.9924      1.00000
     86      -6.9203      1.00000
     87      -6.8794      1.00000
     88      -6.5292      1.00000
     89      -6.4843      1.00000
     90      -6.4582      1.00000
     91      -6.4080      1.00000
     92      -5.9799      1.00000
     93      -5.8943      1.00000
     94      -5.7822      1.00000
     95      -5.7571      1.00000
     96      -5.4268      1.00000
     97      -5.3258      1.00000
     98      -5.2282      1.00000
     99      -5.2152      1.00000
    100      -5.1857      1.00000
    101      -4.6864      1.00000
    102      -4.4134      1.00000
    103      -4.2029      1.00000
    104      -3.8241      1.00000
    105      -3.5191      1.00000
    106      -3.2722      1.00000
    107      -2.5300      0.00000
    108      -1.4539      0.00000
    109      -1.2659      0.00000
    110      -1.2017      0.00000
    111      -1.1707      0.00000
    112      -0.7176      0.00000
    113      -0.5021      0.00000
    114      -0.4109      0.00000
    115      -0.3376      0.00000
    116      -0.1447      0.00000
    117      -0.0010      0.00000
    118       0.1931      0.00000
    119       0.5609      0.00000
    120       0.6140      0.00000
    121       0.7953      0.00000
    122       0.9031      0.00000
    123       1.1294      0.00000
    124       1.4845      0.00000
    125       1.6257      0.00000
    126       1.8343      0.00000
    127       1.9165      0.00000
    128       2.0956      0.00000
    129       2.1076      0.00000
    130       2.1138      0.00000
    131       2.1735      0.00000
    132       2.2812      0.00000
    133       2.3139      0.00000
    134       2.4573      0.00000
    135       2.5701      0.00000
    136       2.6461      0.00000
    137       2.8475      0.00000
    138       2.8708      0.00000
    139       2.8897      0.00000
    140       2.9594      0.00000
    141       2.9885      0.00000
    142       3.1347      0.00000
    143       3.1482      0.00000
    144       3.1966      0.00000
    145       3.2627      0.00000
    146       3.2818      0.00000
    147       3.3001      0.00000
    148       3.3440      0.00000
    149       3.4128      0.00000
    150       3.4299      0.00000
    151       3.5320      0.00000
    152       3.6041      0.00000
    153       3.6729      0.00000
    154       3.6982      0.00000
    155       3.7646      0.00000
    156       3.8902      0.00000
    157       3.9023      0.00000
    158       3.9870      0.00000
    159       4.1177      0.00000
    160       4.2025      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3144      1.00000
      2     -21.9614      1.00000
      3     -21.8903      1.00000
      4     -21.3819      1.00000
      5     -21.3460      1.00000
      6     -20.8366      1.00000
      7     -20.7711      1.00000
      8     -20.6224      1.00000
      9     -20.0868      1.00000
     10     -20.0586      1.00000
     11     -19.7159      1.00000
     12     -19.6874      1.00000
     13     -19.0069      1.00000
     14     -18.9764      1.00000
     15     -18.6470      1.00000
     16     -18.6149      1.00000
     17     -18.4580      1.00000
     18     -17.6575      1.00000
     19     -17.6438      1.00000
     20     -17.6080      1.00000
     21     -17.5756      1.00000
     22     -17.1341      1.00000
     23     -17.0950      1.00000
     24     -16.9635      1.00000
     25     -16.0056      1.00000
     26     -15.9203      1.00000
     27     -15.5960      1.00000
     28     -15.5729      1.00000
     29     -15.2768      1.00000
     30     -14.8737      1.00000
     31     -14.8274      1.00000
     32     -14.5717      1.00000
     33     -14.5341      1.00000
     34     -14.1612      1.00000
     35     -14.1569      1.00000
     36     -13.1592      1.00000
     37     -13.0931      1.00000
     38     -13.0204      1.00000
     39     -13.0155      1.00000
     40     -12.7147      1.00000
     41     -12.6919      1.00000
     42     -12.3378      1.00000
     43     -12.3109      1.00000
     44     -11.6285      1.00000
     45     -11.6195      1.00000
     46     -11.5673      1.00000
     47     -10.9379      1.00000
     48     -10.9199      1.00000
     49     -10.6624      1.00000
     50     -10.5875      1.00000
     51     -10.5700      1.00000
     52     -10.4983      1.00000
     53     -10.4853      1.00000
     54     -10.4363      1.00000
     55     -10.3531      1.00000
     56     -10.1005      1.00000
     57      -9.8960      1.00000
     58      -9.6052      1.00000
     59      -9.5485      1.00000
     60      -9.4508      1.00000
     61      -9.4154      1.00000
     62      -9.4060      1.00000
     63      -9.3774      1.00000
     64      -9.3689      1.00000
     65      -9.2651      1.00000
     66      -9.1620      1.00000
     67      -9.1382      1.00000
     68      -9.1130      1.00000
     69      -8.8630      1.00000
     70      -8.8573      1.00000
     71      -8.8000      1.00000
     72      -8.5940      1.00000
     73      -8.5228      1.00000
     74      -8.1903      1.00000
     75      -8.1677      1.00000
     76      -8.0766      1.00000
     77      -7.8555      1.00000
     78      -7.8339      1.00000
     79      -7.8177      1.00000
     80      -7.7075      1.00000
     81      -7.6934      1.00000
     82      -7.5995      1.00000
     83      -7.5210      1.00000
     84      -7.3496      1.00000
     85      -7.1619      1.00000
     86      -6.9024      1.00000
     87      -6.8926      1.00000
     88      -6.5909      1.00000
     89      -6.5485      1.00000
     90      -6.4028      1.00000
     91      -6.2997      1.00000
     92      -6.2453      1.00000
     93      -6.1980      1.00000
     94      -6.0008      1.00000
     95      -5.5277      1.00000
     96      -5.4626      1.00000
     97      -5.3101      1.00000
     98      -5.2073      1.00000
     99      -5.0417      1.00000
    100      -4.7190      1.00000
    101      -4.6676      1.00000
    102      -4.4155      1.00000
    103      -4.1890      1.00000
    104      -3.8334      1.00000
    105      -3.6285      1.00000
    106      -3.4110      1.00000
    107      -2.2902      0.00000
    108      -1.5058      0.00000
    109      -1.2684      0.00000
    110      -1.2612      0.00000
    111      -1.0321      0.00000
    112      -0.9772      0.00000
    113      -0.8666      0.00000
    114      -0.7981      0.00000
    115      -0.2614      0.00000
    116       0.2059      0.00000
    117       0.2409      0.00000
    118       0.3596      0.00000
    119       0.6882      0.00000
    120       0.8950      0.00000
    121       0.9247      0.00000
    122       1.0386      0.00000
    123       1.1625      0.00000
    124       1.5041      0.00000
    125       1.5504      0.00000
    126       1.6981      0.00000
    127       1.7790      0.00000
    128       1.8245      0.00000
    129       1.9492      0.00000
    130       1.9735      0.00000
    131       2.1659      0.00000
    132       2.2490      0.00000
    133       2.4056      0.00000
    134       2.4280      0.00000
    135       2.5047      0.00000
    136       2.6006      0.00000
    137       2.6200      0.00000
    138       2.6966      0.00000
    139       2.7209      0.00000
    140       2.8444      0.00000
    141       3.0287      0.00000
    142       3.0542      0.00000
    143       3.1668      0.00000
    144       3.2105      0.00000
    145       3.2250      0.00000
    146       3.2643      0.00000
    147       3.3109      0.00000
    148       3.4338      0.00000
    149       3.5110      0.00000
    150       3.6890      0.00000
    151       3.7176      0.00000
    152       3.7299      0.00000
    153       3.8176      0.00000
    154       3.8635      0.00000
    155       3.9072      0.00000
    156       3.9594      0.00000
    157       3.9938      0.00000
    158       4.0078      0.00000
    159       4.0176      0.00000
    160       4.0710      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3867      1.00000
      2     -21.8278      1.00000
      3     -21.6388      1.00000
      4     -21.6044      1.00000
      5     -21.2759      1.00000
      6     -21.2298      1.00000
      7     -21.0542      1.00000
      8     -20.1683      1.00000
      9     -20.1231      1.00000
     10     -19.6140      1.00000
     11     -19.5885      1.00000
     12     -19.4130      1.00000
     13     -19.0916      1.00000
     14     -19.0532      1.00000
     15     -19.0497      1.00000
     16     -19.0361      1.00000
     17     -18.3640      1.00000
     18     -18.3447      1.00000
     19     -18.0138      1.00000
     20     -17.0685      1.00000
     21     -17.0209      1.00000
     22     -16.9470      1.00000
     23     -16.9335      1.00000
     24     -16.4720      1.00000
     25     -16.4606      1.00000
     26     -15.6068      1.00000
     27     -15.6061      1.00000
     28     -15.2467      1.00000
     29     -15.2348      1.00000
     30     -15.1881      1.00000
     31     -15.0994      1.00000
     32     -15.0655      1.00000
     33     -14.6955      1.00000
     34     -14.6946      1.00000
     35     -13.7220      1.00000
     36     -13.7220      1.00000
     37     -13.2322      1.00000
     38     -12.6213      1.00000
     39     -12.5768      1.00000
     40     -12.4519      1.00000
     41     -12.4465      1.00000
     42     -12.1020      1.00000
     43     -12.0970      1.00000
     44     -11.7184      1.00000
     45     -11.6806      1.00000
     46     -11.2427      1.00000
     47     -11.2214      1.00000
     48     -11.0144      1.00000
     49     -11.0029      1.00000
     50     -10.9245      1.00000
     51     -10.8965      1.00000
     52     -10.6310      1.00000
     53     -10.1694      1.00000
     54     -10.1466      1.00000
     55     -10.0820      1.00000
     56      -9.9870      1.00000
     57      -9.6926      1.00000
     58      -9.6860      1.00000
     59      -9.6689      1.00000
     60      -9.5894      1.00000
     61      -9.5657      1.00000
     62      -9.5502      1.00000
     63      -9.3095      1.00000
     64      -9.2970      1.00000
     65      -9.2794      1.00000
     66      -9.2404      1.00000
     67      -9.1200      1.00000
     68      -9.1091      1.00000
     69      -9.1082      1.00000
     70      -8.9374      1.00000
     71      -8.8728      1.00000
     72      -8.6010      1.00000
     73      -8.5841      1.00000
     74      -8.2701      1.00000
     75      -8.0978      1.00000
     76      -7.8650      1.00000
     77      -7.8415      1.00000
     78      -7.7884      1.00000
     79      -7.7623      1.00000
     80      -7.7519      1.00000
     81      -7.4354      1.00000
     82      -7.3321      1.00000
     83      -7.3191      1.00000
     84      -7.2633      1.00000
     85      -7.1644      1.00000
     86      -7.0122      1.00000
     87      -6.9831      1.00000
     88      -6.7150      1.00000
     89      -6.6902      1.00000
     90      -6.6291      1.00000
     91      -6.5870      1.00000
     92      -6.1143      1.00000
     93      -6.0562      1.00000
     94      -6.0422      1.00000
     95      -6.0255      1.00000
     96      -5.7452      1.00000
     97      -4.9660      1.00000
     98      -4.8352      1.00000
     99      -4.7060      1.00000
    100      -4.6711      1.00000
    101      -4.4758      1.00000
    102      -4.3438      1.00000
    103      -4.1090      1.00000
    104      -4.0522      1.00000
    105      -3.7477      1.00000
    106      -3.4570      1.00000
    107      -1.9469      0.00000
    108      -1.7693      0.00000
    109      -1.4788      0.00000
    110      -1.3533      0.00000
    111      -1.3356      0.00000
    112      -1.2902      0.00000
    113      -0.6778      0.00000
    114      -0.4698      0.00000
    115      -0.2333      0.00000
    116       0.0505      0.00000
    117       0.5845      0.00000
    118       0.6949      0.00000
    119       0.7698      0.00000
    120       1.0195      0.00000
    121       1.0992      0.00000
    122       1.1739      0.00000
    123       1.2484      0.00000
    124       1.3346      0.00000
    125       1.4301      0.00000
    126       1.5812      0.00000
    127       1.7429      0.00000
    128       1.8428      0.00000
    129       1.8587      0.00000
    130       1.8872      0.00000
    131       2.0329      0.00000
    132       2.2116      0.00000
    133       2.2252      0.00000
    134       2.2723      0.00000
    135       2.4675      0.00000
    136       2.5821      0.00000
    137       2.6219      0.00000
    138       2.7405      0.00000
    139       2.7522      0.00000
    140       2.8348      0.00000
    141       2.8404      0.00000
    142       2.8407      0.00000
    143       2.9229      0.00000
    144       3.0693      0.00000
    145       3.2828      0.00000
    146       3.3377      0.00000
    147       3.3700      0.00000
    148       3.3907      0.00000
    149       3.3973      0.00000
    150       3.5498      0.00000
    151       3.6116      0.00000
    152       3.6387      0.00000
    153       3.7115      0.00000
    154       3.8784      0.00000
    155       3.9020      0.00000
    156       3.9318      0.00000
    157       4.0924      0.00000
    158       4.1785      0.00000
    159       4.2056      0.00000
    160       4.2635      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2058      1.00000
      2     -22.1171      1.00000
      3     -21.9544      1.00000
      4     -21.4021      1.00000
      5     -21.0433      1.00000
      6     -21.0153      1.00000
      7     -20.4930      1.00000
      8     -20.4636      1.00000
      9     -20.2839      1.00000
     10     -20.2816      1.00000
     11     -19.9536      1.00000
     12     -19.8916      1.00000
     13     -18.8802      1.00000
     14     -18.8138      1.00000
     15     -18.3347      1.00000
     16     -18.3155      1.00000
     17     -18.1466      1.00000
     18     -18.1389      1.00000
     19     -17.8130      1.00000
     20     -17.7947      1.00000
     21     -17.2553      1.00000
     22     -17.2359      1.00000
     23     -17.1570      1.00000
     24     -17.1331      1.00000
     25     -16.1138      1.00000
     26     -15.8777      1.00000
     27     -15.8667      1.00000
     28     -15.8378      1.00000
     29     -15.2277      1.00000
     30     -14.5480      1.00000
     31     -14.5298      1.00000
     32     -14.2724      1.00000
     33     -13.9719      1.00000
     34     -13.9485      1.00000
     35     -13.8213      1.00000
     36     -13.8000      1.00000
     37     -13.6011      1.00000
     38     -13.5757      1.00000
     39     -13.3676      1.00000
     40     -12.6359      1.00000
     41     -12.1658      1.00000
     42     -12.1395      1.00000
     43     -12.0648      1.00000
     44     -12.0187      1.00000
     45     -11.6616      1.00000
     46     -11.6570      1.00000
     47     -11.1336      1.00000
     48     -11.1229      1.00000
     49     -10.7872      1.00000
     50     -10.7318      1.00000
     51     -10.5283      1.00000
     52     -10.2049      1.00000
     53     -10.1989      1.00000
     54     -10.1686      1.00000
     55     -10.0193      1.00000
     56      -9.9920      1.00000
     57      -9.9873      1.00000
     58      -9.8027      1.00000
     59      -9.7927      1.00000
     60      -9.7617      1.00000
     61      -9.7540      1.00000
     62      -9.4517      1.00000
     63      -9.4141      1.00000
     64      -9.0814      1.00000
     65      -9.0430      1.00000
     66      -9.0232      1.00000
     67      -8.9664      1.00000
     68      -8.8942      1.00000
     69      -8.7049      1.00000
     70      -8.6958      1.00000
     71      -8.5573      1.00000
     72      -8.5465      1.00000
     73      -8.4767      1.00000
     74      -8.4566      1.00000
     75      -8.4536      1.00000
     76      -8.3027      1.00000
     77      -8.0914      1.00000
     78      -8.0888      1.00000
     79      -7.9244      1.00000
     80      -7.8308      1.00000
     81      -7.5985      1.00000
     82      -7.5338      1.00000
     83      -7.4507      1.00000
     84      -7.2984      1.00000
     85      -6.9897      1.00000
     86      -6.9167      1.00000
     87      -6.8793      1.00000
     88      -6.5250      1.00000
     89      -6.5126      1.00000
     90      -6.4780      1.00000
     91      -6.4187      1.00000
     92      -5.9228      1.00000
     93      -5.9019      1.00000
     94      -5.7867      1.00000
     95      -5.7719      1.00000
     96      -5.3654      1.00000
     97      -5.3583      1.00000
     98      -5.2176      1.00000
     99      -5.2135      1.00000
    100      -5.1961      1.00000
    101      -4.7151      1.00000
    102      -4.4327      1.00000
    103      -4.1853      1.00000
    104      -3.8103      1.00000
    105      -3.5561      1.00000
    106      -3.2203      1.00000
    107      -2.5600      0.00000
    108      -1.4589      0.00000
    109      -1.2669      0.00000
    110      -1.1832      0.00000
    111      -1.1821      0.00000
    112      -0.6429      0.00000
    113      -0.5511      0.00000
    114      -0.4133      0.00000
    115      -0.3458      0.00000
    116      -0.0768      0.00000
    117      -0.0623      0.00000
    118       0.1264      0.00000
    119       0.5949      0.00000
    120       0.6276      0.00000
    121       0.8518      0.00000
    122       0.9834      0.00000
    123       1.0002      0.00000
    124       1.4877      0.00000
    125       1.6736      0.00000
    126       1.7516      0.00000
    127       1.8437      0.00000
    128       2.0965      0.00000
    129       2.1079      0.00000
    130       2.1756      0.00000
    131       2.2122      0.00000
    132       2.2504      0.00000
    133       2.3314      0.00000
    134       2.4922      0.00000
    135       2.4928      0.00000
    136       2.6508      0.00000
    137       2.8544      0.00000
    138       2.8598      0.00000
    139       2.9433      0.00000
    140       2.9450      0.00000
    141       3.0007      0.00000
    142       3.1325      0.00000
    143       3.1611      0.00000
    144       3.2061      0.00000
    145       3.2417      0.00000
    146       3.2761      0.00000
    147       3.3033      0.00000
    148       3.3522      0.00000
    149       3.4012      0.00000
    150       3.5338      0.00000
    151       3.5554      0.00000
    152       3.6358      0.00000
    153       3.6411      0.00000
    154       3.6723      0.00000
    155       3.6959      0.00000
    156       3.8956      0.00000
    157       3.9190      0.00000
    158       4.0160      0.00000
    159       4.0641      0.00000
    160       4.1664      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2801      1.00000
      2     -22.0762      1.00000
      3     -21.7175      1.00000
      4     -21.6790      1.00000
      5     -20.9797      1.00000
      6     -20.9329      1.00000
      7     -20.6082      1.00000
      8     -20.5768      1.00000
      9     -20.5634      1.00000
     10     -20.0297      1.00000
     11     -19.5102      1.00000
     12     -19.4810      1.00000
     13     -19.3090      1.00000
     14     -19.2962      1.00000
     15     -18.4464      1.00000
     16     -18.4041      1.00000
     17     -17.9247      1.00000
     18     -17.9049      1.00000
     19     -17.7625      1.00000
     20     -17.7184      1.00000
     21     -17.4388      1.00000
     22     -17.4208      1.00000
     23     -17.3351      1.00000
     24     -16.4682      1.00000
     25     -16.4583      1.00000
     26     -15.9676      1.00000
     27     -15.4081      1.00000
     28     -15.4073      1.00000
     29     -15.0932      1.00000
     30     -15.0901      1.00000
     31     -14.8497      1.00000
     32     -14.8378      1.00000
     33     -14.2951      1.00000
     34     -14.2510      1.00000
     35     -13.4414      1.00000
     36     -13.3972      1.00000
     37     -13.1721      1.00000
     38     -13.1707      1.00000
     39     -12.9828      1.00000
     40     -12.9739      1.00000
     41     -12.6077      1.00000
     42     -12.6056      1.00000
     43     -12.1936      1.00000
     44     -11.5762      1.00000
     45     -11.5360      1.00000
     46     -11.3104      1.00000
     47     -11.2806      1.00000
     48     -11.1386      1.00000
     49     -10.6884      1.00000
     50     -10.6597      1.00000
     51     -10.5419      1.00000
     52     -10.3188      1.00000
     53     -10.3115      1.00000
     54     -10.1731      1.00000
     55     -10.1180      1.00000
     56     -10.1058      1.00000
     57      -9.8086      1.00000
     58      -9.7490      1.00000
     59      -9.7486      1.00000
     60      -9.6993      1.00000
     61      -9.6956      1.00000
     62      -9.6445      1.00000
     63      -9.3494      1.00000
     64      -9.3482      1.00000
     65      -9.3154      1.00000
     66      -9.0251      1.00000
     67      -8.9579      1.00000
     68      -8.9544      1.00000
     69      -8.7733      1.00000
     70      -8.5891      1.00000
     71      -8.5836      1.00000
     72      -8.4204      1.00000
     73      -8.3472      1.00000
     74      -8.3186      1.00000
     75      -8.2998      1.00000
     76      -8.2625      1.00000
     77      -8.2515      1.00000
     78      -8.2365      1.00000
     79      -7.9234      1.00000
     80      -7.7338      1.00000
     81      -7.3766      1.00000
     82      -7.3461      1.00000
     83      -7.3090      1.00000
     84      -7.2142      1.00000
     85      -7.1571      1.00000
     86      -7.0662      1.00000
     87      -6.9583      1.00000
     88      -6.9054      1.00000
     89      -6.6107      1.00000
     90      -6.5533      1.00000
     91      -6.2683      1.00000
     92      -5.9926      1.00000
     93      -5.9567      1.00000
     94      -5.6720      1.00000
     95      -5.6453      1.00000
     96      -5.3828      1.00000
     97      -5.3118      1.00000
     98      -5.2906      1.00000
     99      -5.2097      1.00000
    100      -5.1981      1.00000
    101      -4.5009      1.00000
    102      -4.3297      1.00000
    103      -3.9930      1.00000
    104      -3.8826      1.00000
    105      -3.7855      1.00000
    106      -3.4358      1.00000
    107      -2.0309      0.00000
    108      -1.8615      0.00000
    109      -1.2149      0.00000
    110      -1.1835      0.00000
    111      -1.0338      0.00000
    112      -0.7703      0.00000
    113      -0.6778      0.00000
    114      -0.6575      0.00000
    115      -0.6074      0.00000
    116      -0.1031      0.00000
    117       0.2250      0.00000
    118       0.2393      0.00000
    119       0.7668      0.00000
    120       0.9815      0.00000
    121       1.0750      0.00000
    122       1.2411      0.00000
    123       1.2514      0.00000
    124       1.3355      0.00000
    125       1.5753      0.00000
    126       1.5870      0.00000
    127       1.6922      0.00000
    128       1.7763      0.00000
    129       1.9386      0.00000
    130       1.9471      0.00000
    131       2.0548      0.00000
    132       2.2694      0.00000
    133       2.3400      0.00000
    134       2.4127      0.00000
    135       2.5225      0.00000
    136       2.6177      0.00000
    137       2.7332      0.00000
    138       2.7879      0.00000
    139       2.8386      0.00000
    140       2.8410      0.00000
    141       3.0058      0.00000
    142       3.0942      0.00000
    143       3.1424      0.00000
    144       3.1987      0.00000
    145       3.3629      0.00000
    146       3.4065      0.00000
    147       3.4774      0.00000
    148       3.5071      0.00000
    149       3.5874      0.00000
    150       3.5889      0.00000
    151       3.6245      0.00000
    152       3.7277      0.00000
    153       3.7311      0.00000
    154       3.7496      0.00000
    155       3.7811      0.00000
    156       3.8595      0.00000
    157       4.0060      0.00000
    158       4.0764      0.00000
    159       4.1540      0.00000
    160       4.1897      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0412   -7.3909    4.2000   -1.2761   -0.2387   17.5960    0.1456   -0.5290    0.6315   -0.4636
x    -3.0930   -0.0373   -0.0630    0.0618   -0.0095   -2.9771   -0.0112   -0.0070    0.0048    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0412    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0939   -0.0088    0.0381    0.0380
y    -0.0454   -3.2458   -0.5412   -0.1634   -1.1851   -0.6059
z   204.0412    1.0991   -0.3112    0.0496    0.0195    0.0866   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1129    0.0003    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8156
z    -0.2192    0.2314   -0.0549    0.0617   -0.0900    0.0008
 total charge-density along one line
x   212.0000  -10.2215    6.1484   -2.0862   -0.4745   19.5123   -0.9980    0.4784   -0.0479   -0.1242
x    -2.6465   -0.0276   -0.0608    0.0847   -0.0536   -2.2243   -0.0253   -0.0024    0.0051    0.0021
x    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2215    6.1484   -2.0862   -0.4745   19.5123   -0.9980    0.4784   -0.0479   -0.1242
y    -2.6465   -0.0276   -0.0608    0.0847   -0.0536   -2.2243   -0.0253   -0.0024    0.0051    0.0021
y    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3256  188.9042 -170.1668  154.0865 -140.5422  126.8497 -111.4767   95.1274  -79.3234
z    64.9427  -52.1412   41.0348  -31.9605   25.0823  -20.0107   15.9777  -12.3779    9.0999   -6.3717
z     4.3690   -3.0009    2.0148   -1.2224    0.5922   -0.1612   -0.0883    0.2440   -0.3837    0.5105
z    -0.5761    0.5532   -0.4732    0.3956   -0.3538    0.3356   -0.3104    0.2654   -0.2128    0.1706
z    -0.1440    0.1249   -0.1046    0.0830   -0.0654    0.0546   -0.0485    0.0427   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0002   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.001   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.001   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.627   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.077   0.000  -0.131   0.000  -0.033  -0.278   0.081   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.587  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.627   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.278   0.000   0.587   0.000   0.163   1.366  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.081   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.030   8.932
  2        0.520   0.027   0.000   0.548
  3        0.520   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.647
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.426   8.030 142.324
 


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


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


    CHARGE:  VPU time   90.26: CPU time   45.53
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  362.42: CPU time  181.58
    STRESS:  VPU time 1090.23: CPU time  547.77
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force = 0.8575210E-05[ 0.389E-05, 0.133E-04]  d Energy = 0.7167109E-04-0.631E-04
 d Force = 0.1897337E+00[ 0.190E+00, 0.190E+00]  d Ewald  = 0.8024141E+01-0.783E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726677 eV

  energy  without entropy=     -471.726677  energy(sigma->0) =     -471.726677
 

  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    40823.88  40781.94 -47521.69    -36.32      0.00      0.00
  Hartree  40248.59  40232.37 -39506.60    -14.05      0.00      0.00
  E(xc)     -779.44   -779.73   -807.39     -0.25      0.00      0.00
  Local   -83356.46 -83307.26  84343.01     42.61      0.00      0.00
  n-local   -216.86   -215.72   -203.52      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.52   3176.13   3583.75      3.42      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.04     -0.04     -0.70      0.00      0.00      0.00
  in kB       -0.02     -0.02     -0.42      0.00      0.00      0.00
  external pressure =       -0.16 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345239693  0.001023850  0.000000000     0.080999005  0.046755909  0.000000000
    -6.171739807 10.691799104  0.000000000    -0.000007756  0.093525151  0.000000000
     0.000000000  0.000000000 19.985446729     0.000000000  0.000000000  0.050036410

  length of vectors
    12.345239735 12.345239582 19.985446729     0.093525150  0.093525152  0.050036410


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.382E-05 -.492E-04 -.951E+03   0.420E-05 -.275E-04 0.960E+03   -.381E-20 0.844E-21 -.868E+01   -.865E-07 0.505E-07 -.185E-01
   0.321E+02 -.186E+02 -.135E+03   -.337E+02 0.194E+02 0.137E+03   0.154E+01 -.886E+00 -.253E+01   -.692E-03 0.399E-03 -.127E-02
   -.321E+02 0.186E+02 -.135E+03   0.337E+02 -.194E+02 0.137E+03   -.154E+01 0.886E+00 -.253E+01   0.692E-03 -.399E-03 -.127E-02
   -.203E+01 0.117E+01 0.138E+02   0.203E+01 -.117E+01 -.137E+02   -.657E-02 0.380E-02 -.321E-01   -.596E-03 0.341E-03 -.253E-02
   0.622E+01 0.679E+01 0.165E+02   -.623E+01 -.680E+01 -.165E+02   -.333E-02 0.252E-01 -.363E-01   -.469E-04 -.137E-02 -.165E-02
   0.111E+02 0.508E+01 0.165E+02   -.111E+02 -.509E+01 -.164E+02   0.217E-01 0.604E-02 -.505E-01   -.238E-02 0.456E-03 0.138E-02
   0.468E+01 -.890E+00 0.153E+02   -.470E+01 0.899E+00 -.153E+02   0.139E-01 -.788E-02 -.107E-01   -.595E-03 0.107E-03 0.281E-02
   -.305E+01 -.255E+01 0.137E+02   0.305E+01 0.255E+01 -.137E+02   0.128E-02 0.444E-02 -.413E-02   -.160E-03 -.566E-03 0.127E-02
   0.682E+00 0.391E+01 0.137E+02   -.685E+00 -.391E+01 -.137E+02   -.321E-02 -.333E-02 -.413E-02   0.405E-03 0.415E-03 0.126E-02
   0.244E+01 0.188E+02 0.224E+02   -.244E+01 -.189E+02 -.224E+02   0.162E-02 0.998E-01 -.495E-01   -.864E-03 0.465E-03 0.218E-03
   0.225E+02 0.213E+02 0.406E+02   -.225E+02 -.216E+02 -.405E+02   0.833E-01 0.255E+00 -.655E-01   -.307E-02 0.360E-04 -.570E-03
   0.265E+02 -.343E+01 0.259E+02   -.268E+02 0.354E+01 -.259E+02   0.264E+00 -.107E+00 -.447E-01   -.196E-02 -.497E-03 -.831E-04
   0.905E+01 -.522E+01 0.156E+02   -.909E+01 0.525E+01 -.156E+02   0.439E-01 -.254E-01 -.152E-01   -.190E-02 0.109E-02 0.115E-02
   0.311E+01 -.361E+01 0.153E+02   -.313E+01 0.362E+01 -.153E+02   0.138E-01 -.808E-02 -.107E-01   -.393E-03 0.457E-03 0.280E-02
   -.587E+01 0.135E+02 0.178E+02   0.587E+01 -.135E+02 -.177E+02   -.187E-02 0.716E-01 -.385E-01   -.820E-04 -.914E-03 0.114E-02
   -.118E+02 0.358E+02 0.466E+02   0.118E+02 -.364E+02 -.469E+02   -.269E-01 0.604E+00 0.296E+00   -.641E-03 -.265E-02 0.858E-03
   0.235E+02 -.135E+02 0.912E+02   -.241E+02 0.139E+02 -.932E+02   0.630E+00 -.364E+00 0.201E+01   -.129E-02 0.743E-03 0.230E-02
   0.162E+02 -.213E+02 0.259E+02   -.165E+02 0.214E+02 -.259E+02   0.225E+00 -.176E+00 -.447E-01   -.551E-03 0.194E-02 -.874E-04
   0.115E+01 -.121E+02 0.165E+02   -.115E+01 0.122E+02 -.164E+02   0.563E-02 -.218E-01 -.505E-01   -.158E-02 0.183E-02 0.138E-02
   -.409E+01 0.189E+01 0.140E+02   0.408E+01 -.190E+01 -.139E+02   -.179E-02 0.969E-02 -.371E-01   0.460E-03 -.100E-04 0.254E-02
   -.190E+02 0.110E+02 0.228E+02   0.191E+02 -.110E+02 -.227E+02   -.516E-01 0.298E-01 -.370E-01   0.708E-03 -.405E-03 -.107E-02
   -.369E+02 -.770E+01 0.466E+02   0.375E+02 0.797E+01 -.469E+02   -.537E+00 -.279E+00 0.296E+00   0.197E-02 0.188E-02 0.861E-03
   -.724E+01 -.301E+02 0.406E+02   0.744E+01 0.303E+02 -.405E+02   -.179E+00 -.200E+00 -.655E-01   -.156E-02 0.263E-02 -.572E-03
   -.277E+01 -.878E+01 0.165E+02   0.277E+01 0.880E+01 -.165E+02   -.235E-01 -.972E-02 -.363E-01   0.116E-02 0.722E-03 -.165E-02
   0.142E+01 -.821E+00 0.131E+02   -.143E+01 0.826E+00 -.131E+02   -.283E-03 0.164E-03 -.266E-01   -.128E-03 0.759E-04 -.926E-03
   -.368E+01 0.259E+01 0.140E+02   0.369E+01 -.259E+01 -.139E+02   -.928E-02 -.330E-02 -.371E-01   0.240E-03 -.388E-03 0.255E-02
   -.146E+02 -.165E+01 0.178E+02   0.147E+02 0.169E+01 -.177E+02   -.630E-01 -.342E-01 -.385E-01   0.752E-03 0.526E-03 0.115E-02
   -.151E+02 -.115E+02 0.224E+02   0.152E+02 0.116E+02 -.224E+02   -.856E-01 -.513E-01 -.495E-01   -.833E-03 0.511E-03 0.221E-03
   0.277E+01 0.878E+01 0.165E+02   -.277E+01 -.880E+01 -.165E+02   0.235E-01 0.972E-02 -.363E-01   -.116E-02 -.722E-03 -.165E-02
   0.151E+02 0.115E+02 0.224E+02   -.152E+02 -.116E+02 -.224E+02   0.856E-01 0.513E-01 -.495E-01   0.833E-03 -.511E-03 0.221E-03
   0.146E+02 0.165E+01 0.178E+02   -.147E+02 -.169E+01 -.177E+02   0.630E-01 0.342E-01 -.385E-01   -.752E-03 -.526E-03 0.115E-02
   0.368E+01 -.259E+01 0.140E+02   -.369E+01 0.259E+01 -.139E+02   0.928E-02 0.330E-02 -.371E-01   -.240E-03 0.388E-03 0.255E-02
   -.142E+01 0.822E+00 0.131E+02   0.143E+01 -.826E+00 -.131E+02   0.283E-03 -.164E-03 -.266E-01   0.128E-03 -.759E-04 -.926E-03
   -.115E+01 0.121E+02 0.165E+02   0.115E+01 -.122E+02 -.164E+02   -.563E-02 0.218E-01 -.505E-01   0.158E-02 -.183E-02 0.138E-02
   0.724E+01 0.301E+02 0.406E+02   -.744E+01 -.303E+02 -.405E+02   0.179E+00 0.200E+00 -.655E-01   0.156E-02 -.263E-02 -.572E-03
   0.369E+02 0.770E+01 0.466E+02   -.375E+02 -.797E+01 -.469E+02   0.537E+00 0.279E+00 0.296E+00   -.197E-02 -.188E-02 0.861E-03
   0.190E+02 -.110E+02 0.228E+02   -.191E+02 0.110E+02 -.227E+02   0.516E-01 -.298E-01 -.370E-01   -.708E-03 0.405E-03 -.107E-02
   0.409E+01 -.189E+01 0.140E+02   -.408E+01 0.190E+01 -.139E+02   0.179E-02 -.969E-02 -.371E-01   -.460E-03 0.100E-04 0.254E-02
   -.311E+01 0.361E+01 0.153E+02   0.313E+01 -.362E+01 -.153E+02   -.138E-01 0.808E-02 -.107E-01   0.393E-03 -.457E-03 0.280E-02
   -.162E+02 0.213E+02 0.259E+02   0.165E+02 -.214E+02 -.259E+02   -.225E+00 0.176E+00 -.447E-01   0.551E-03 -.194E-02 -.875E-04
   -.235E+02 0.135E+02 0.912E+02   0.241E+02 -.139E+02 -.932E+02   -.630E+00 0.364E+00 0.201E+01   0.129E-02 -.743E-03 0.230E-02
   0.118E+02 -.358E+02 0.466E+02   -.118E+02 0.364E+02 -.469E+02   0.269E-01 -.604E+00 0.296E+00   0.641E-03 0.265E-02 0.858E-03
   0.587E+01 -.135E+02 0.178E+02   -.587E+01 0.135E+02 -.177E+02   0.187E-02 -.716E-01 -.385E-01   0.820E-04 0.914E-03 0.114E-02
   -.682E+00 -.391E+01 0.137E+02   0.685E+00 0.391E+01 -.137E+02   0.321E-02 0.333E-02 -.413E-02   -.405E-03 -.415E-03 0.126E-02
   -.905E+01 0.522E+01 0.156E+02   0.909E+01 -.525E+01 -.156E+02   -.439E-01 0.254E-01 -.152E-01   0.190E-02 -.109E-02 0.115E-02
   -.265E+02 0.343E+01 0.259E+02   0.268E+02 -.354E+01 -.259E+02   -.264E+00 0.107E+00 -.447E-01   0.196E-02 0.497E-03 -.832E-04
   -.225E+02 -.213E+02 0.406E+02   0.225E+02 0.216E+02 -.405E+02   -.833E-01 -.255E+00 -.655E-01   0.307E-02 -.360E-04 -.570E-03
   -.244E+01 -.188E+02 0.224E+02   0.244E+01 0.189E+02 -.224E+02   -.162E-02 -.998E-01 -.495E-01   0.864E-03 -.465E-03 0.218E-03
   0.203E+01 -.117E+01 0.138E+02   -.203E+01 0.117E+01 -.137E+02   0.657E-02 -.380E-02 -.321E-01   0.596E-03 -.341E-03 -.253E-02
   0.305E+01 0.255E+01 0.137E+02   -.305E+01 -.255E+01 -.137E+02   -.128E-02 -.444E-02 -.413E-02   0.160E-03 0.566E-03 0.127E-02
   -.468E+01 0.890E+00 0.153E+02   0.470E+01 -.899E+00 -.153E+02   -.139E-01 0.788E-02 -.107E-01   0.595E-03 -.107E-03 0.281E-02
   -.111E+02 -.508E+01 0.165E+02   0.111E+02 0.509E+01 -.164E+02   -.217E-01 -.604E-02 -.505E-01   0.238E-02 -.456E-03 0.138E-02
   -.622E+01 -.679E+01 0.165E+02   0.623E+01 0.680E+01 -.165E+02   0.333E-02 -.252E-01 -.363E-01   0.469E-04 0.137E-02 -.165E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.297E-03 0.101E+02   0.106E-12 -.151E-12 -.508E-12   0.101E-15 -.108E-15 -.101E+02   -.784E-07 0.481E-07 0.840E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85228      6.05913     12.33866         0.000000      0.000000      0.017545
      1.07808      6.50612     13.60146         0.006175     -0.003565     -0.015352
      2.62649      5.61214     13.60146        -0.006175      0.003565     -0.015352
      0.00017     -0.00010      9.97936        -0.009070      0.005237     -0.007724
     -1.23453      2.13676      9.97982        -0.013767      0.010993     -0.004843
     -2.46988      4.27656      9.98601         0.005159     -0.003540      0.002461
     -3.70350      6.41522      9.98343        -0.004607      0.001404      0.005799
     -4.93729      8.55338      9.98092        -0.000150      0.006515      0.003381
      2.46915      0.00015      9.98092        -0.005717     -0.003128      0.003381
      1.23391      2.13690      9.98433         0.002229     -0.007091     -0.004212
     -0.00268      4.27118      9.99754         0.014493     -0.009569     -0.001827
     -1.23819      6.41588     10.00950        -0.001619      0.001933     -0.005061
     -2.46882      8.55392      9.98712         0.000969     -0.000559      0.000536
      4.93775      0.00073      9.98343        -0.003519      0.003288      0.005799
      3.70426      2.13686      9.99174        -0.001684      0.002886      0.004090
      2.47005      4.26860     10.03107         0.004786      0.003769      0.000608
      1.22929      6.41882     10.04122        -0.002567      0.001482      0.007128
     -0.00191      8.55718     10.00950        -0.002483      0.000436     -0.005061
      7.40669      0.00172      9.98601         0.005646     -0.002698      0.002461
      6.17264      2.13898      9.98318        -0.004628      0.000132      0.004295
      4.93921      4.27689     10.00100        -0.002494      0.001440     -0.000389
      3.71181      6.41940     10.03107        -0.000871     -0.006030      0.000608
      2.47321      8.55955      9.99754         0.015534     -0.007767     -0.001827
      9.87749      0.00178      9.97982        -0.016404      0.006426     -0.004843
      8.64184      2.13918      9.97961        -0.007506      0.004334     -0.002356
      7.40741      4.27767      9.98318        -0.002428      0.003942      0.004295
      6.17506      6.41641      9.99174        -0.003341      0.000015      0.004090
      4.93985      8.55577      9.98433         0.007256      0.001615     -0.004212
     -0.00118      1.42468      9.97982         0.016404     -0.006426     -0.004843
     -1.23528      3.56249      9.98433        -0.007256     -0.001615     -0.004212
     -2.47049      5.70185      9.99174         0.003341     -0.000015      0.004090
     -3.70284      7.84059      9.98318         0.002428     -0.003942      0.004295
     -4.93727      9.97908      9.97961         0.007506     -0.004334     -0.002356
      2.46962      1.42474      9.98601        -0.005646      0.002698      0.002461
      1.23136      3.55871      9.99754        -0.015534      0.007767     -0.001827
     -0.00724      5.69886     10.03107         0.000871      0.006030      0.000608
     -1.23465      7.84137     10.00100         0.002494     -0.001440     -0.000389
     -2.46807      9.97928      9.98318         0.004628     -0.000132      0.004295
      4.93856      1.42573      9.98343         0.003519     -0.003288      0.005799
      3.70648      3.56108     10.00950         0.002483     -0.000436     -0.005061
      2.47528      5.69944     10.04122         0.002567     -0.001482      0.007128
      1.23452      7.84966     10.03107        -0.004786     -0.003769      0.000608
      0.00031      9.98140      9.99174         0.001684     -0.002886      0.004090
      7.40716      1.42631      9.98092         0.005717      0.003128      0.003381
      6.17339      3.56434      9.98712        -0.000969      0.000559      0.000536
      4.94276      5.70238     10.00950         0.001619     -0.001933     -0.005061
      3.70725      7.84708      9.99754        -0.014493      0.009569     -0.001827
      2.47066      9.98136      9.98433        -0.002229      0.007091     -0.004212
      9.87614      1.42656      9.97936         0.009070     -0.005237     -0.007724
      8.64186      3.56488      9.98092         0.000150     -0.006515      0.003381
      7.40807      5.70304      9.98343         0.004607     -0.001404      0.005799
      6.17445      7.84170      9.98601        -0.005159      0.003540      0.002461
      4.93910      9.98150      9.97982         0.013767     -0.010993     -0.004843
 -----------------------------------------------------------------------------------
    total drift:                               -0.001807      0.000297     -0.000117


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




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


    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  150.66: CPU time   75.38
     LOOP+:  VPU time 4434.62: CPU time 2264.38


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


    POTLOK:  VPU time    7.91: CPU time    7.76
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1387.57: CPU time  726.49
 BZINTS: Fermi energy: -3.206320;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.51: CPU time   45.55
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1486.45: CPU time  780.23

 eigenvalue-minimisations  :  5552
 total energy-change (2. order) :-0.4717267E+03  (-0.8772113E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9584044 magnetization   -0.0000084

 Broyden mixing:
  rms(total) = 0.12442E-02    rms(broyden)= 0.12439E-02
  rms(prec ) = 0.14428E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34079.22613553
  -1/2 Hartree   DENC   =    -40970.56454243
  -V(xc)+E(xc)   XCENC  =       726.57808130
  PAW double counting   =      4093.73301615    -4132.05960316
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.07965125
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72671025 eV

  energy without entropy =     -471.72671025  energy(sigma->0) =     -471.72671025


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




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


    POTLOK:  VPU time    7.76: CPU time    7.75
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1187.41: CPU time  623.36
 BZINTS: Fermi energy: -3.205669;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1195.52: CPU time  631.43

 eigenvalue-minimisations  :  4424
 total energy-change (2. order) : 0.2478489E-04  (-0.6727272E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9584044 magnetization   -0.0000084

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34079.22613553
  -1/2 Hartree   DENC   =    -40970.37379914
  -V(xc)+E(xc)   XCENC  =       726.57271829
  PAW double counting   =      4093.62401113    -4131.95017700
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.26542787
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72668546 eV

  energy without entropy =     -471.72668546  energy(sigma->0) =     -471.72668546


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2055       2 -39.5385       3 -39.5386       4 -58.3121       5 -58.3159
       6 -58.3186       7 -58.3133       8 -58.3135       9 -58.3135      10 -58.3198
      11 -58.3859      12 -58.3502      13 -58.3216      14 -58.3133      15 -58.3230
      16 -58.5390      17 -58.7256      18 -58.3502      19 -58.3187      20 -58.3184
      21 -58.3567      22 -58.5390      23 -58.3859      24 -58.3159      25 -58.3215
      26 -58.3184      27 -58.3230      28 -58.3199      29 -58.3158      30 -58.3197
      31 -58.3229      32 -58.3183      33 -58.3214      34 -58.3185      35 -58.3858
      36 -58.5389      37 -58.3566      38 -58.3183      39 -58.3132      40 -58.3501
      41 -58.7255      42 -58.5390      43 -58.3229      44 -58.3134      45 -58.3215
      46 -58.3501      47 -58.3858      48 -58.3197      49 -58.3119      50 -58.3134
      51 -58.3132      52 -58.3186      53 -58.3158
 
 
 
 E-fermi :  -3.2057     XC(G=0):  -2.3570     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     -22.4236      1.00000
      2     -21.5986      1.00000
      3     -21.4791      1.00000
      4     -21.4702      1.00000
      5     -21.4390      1.00000
      6     -21.4385      1.00000
      7     -21.4280      1.00000
      8     -19.7037      1.00000
      9     -19.6497      1.00000
     10     -19.6274      1.00000
     11     -19.6162      1.00000
     12     -19.6112      1.00000
     13     -19.6100      1.00000
     14     -18.7868      1.00000
     15     -18.7519      1.00000
     16     -18.7327      1.00000
     17     -18.7237      1.00000
     18     -18.7157      1.00000
     19     -18.7110      1.00000
     20     -16.6317      1.00000
     21     -16.6057      1.00000
     22     -16.5831      1.00000
     23     -16.5794      1.00000
     24     -16.5518      1.00000
     25     -16.5508      1.00000
     26     -15.6124      1.00000
     27     -15.5995      1.00000
     28     -15.5958      1.00000
     29     -15.5624      1.00000
     30     -15.5607      1.00000
     31     -15.5593      1.00000
     32     -14.2569      1.00000
     33     -14.2479      1.00000
     34     -14.2384      1.00000
     35     -14.2333      1.00000
     36     -14.2199      1.00000
     37     -14.2174      1.00000
     38     -11.9032      1.00000
     39     -11.8766      1.00000
     40     -11.8651      1.00000
     41     -11.8623      1.00000
     42     -11.8425      1.00000
     43     -11.8423      1.00000
     44     -11.7683      1.00000
     45     -11.7662      1.00000
     46     -11.7330      1.00000
     47     -11.7267      1.00000
     48     -11.7232      1.00000
     49     -11.7198      1.00000
     50     -10.6705      1.00000
     51     -10.3856      1.00000
     52     -10.3810      1.00000
     53     -10.3738      1.00000
     54     -10.3663      1.00000
     55     -10.3536      1.00000
     56     -10.3511      1.00000
     57      -9.8987      1.00000
     58      -9.4465      1.00000
     59      -9.4033      1.00000
     60      -9.3610      1.00000
     61      -9.3602      1.00000
     62      -9.3524      1.00000
     63      -9.1392      1.00000
     64      -9.1200      1.00000
     65      -9.1180      1.00000
     66      -9.0829      1.00000
     67      -9.0693      1.00000
     68      -9.0682      1.00000
     69      -9.0678      1.00000
     70      -9.0623      1.00000
     71      -9.0619      1.00000
     72      -9.0360      1.00000
     73      -9.0266      1.00000
     74      -9.0242      1.00000
     75      -8.1353      1.00000
     76      -7.7289      1.00000
     77      -7.4672      1.00000
     78      -7.4643      1.00000
     79      -7.4515      1.00000
     80      -7.4317      1.00000
     81      -7.4225      1.00000
     82      -7.4042      1.00000
     83      -7.3096      1.00000
     84      -7.2681      1.00000
     85      -7.2553      1.00000
     86      -7.2469      1.00000
     87      -7.1551      1.00000
     88      -7.0428      1.00000
     89      -6.4448      1.00000
     90      -6.4129      1.00000
     91      -6.3982      1.00000
     92      -6.3613      1.00000
     93      -6.3511      1.00000
     94      -6.3380      1.00000
     95      -5.9568      1.00000
     96      -5.9555      1.00000
     97      -4.7939      1.00000
     98      -4.5382      1.00000
     99      -4.4782      1.00000
    100      -4.4693      1.00000
    101      -4.3805      1.00000
    102      -4.3802      1.00000
    103      -4.2638      1.00000
    104      -4.1828      1.00000
    105      -3.7323      1.00000
    106      -3.4686      1.00000
    107      -1.8582      0.00000
    108      -1.6724      0.00000
    109      -1.6220      0.00000
    110      -1.5900      0.00000
    111      -1.5748      0.00000
    112      -1.5739      0.00000
    113      -0.4272      0.00000
    114       0.1442      0.00000
    115       0.1936      0.00000
    116       0.2570      0.00000
    117       0.2686      0.00000
    118       0.2722      0.00000
    119       0.4752      0.00000
    120       0.5584      0.00000
    121       1.2514      0.00000
    122       1.2907      0.00000
    123       1.5354      0.00000
    124       1.7553      0.00000
    125       1.7825      0.00000
    126       1.7852      0.00000
    127       1.7866      0.00000
    128       1.8348      0.00000
    129       1.9597      0.00000
    130       1.9724      0.00000
    131       1.9758      0.00000
    132       1.9901      0.00000
    133       1.9978      0.00000
    134       2.0870      0.00000
    135       2.2644      0.00000
    136       2.3308      0.00000
    137       2.6272      0.00000
    138       2.6294      0.00000
    139       2.6608      0.00000
    140       2.6851      0.00000
    141       2.9401      0.00000
    142       3.0060      0.00000
    143       3.0152      0.00000
    144       3.0345      0.00000
    145       3.0375      0.00000
    146       3.0378      0.00000
    147       3.0789      0.00000
    148       3.2684      0.00000
    149       3.4252      0.00000
    150       3.5026      0.00000
    151       3.7934      0.00000
    152       3.9108      0.00000
    153       3.9133      0.00000
    154       3.9142      0.00000
    155       3.9386      0.00000
    156       3.9921      0.00000
    157       4.1819      0.00000
    158       4.2685      0.00000
    159       4.2725      0.00000
    160       4.2899      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3869      1.00000
      2     -21.8276      1.00000
      3     -21.6358      1.00000
      4     -21.6084      1.00000
      5     -21.2719      1.00000
      6     -21.2333      1.00000
      7     -21.0549      1.00000
      8     -20.1649      1.00000
      9     -20.1275      1.00000
     10     -19.6060      1.00000
     11     -19.5951      1.00000
     12     -19.4151      1.00000
     13     -19.0867      1.00000
     14     -19.0577      1.00000
     15     -19.0470      1.00000
     16     -19.0393      1.00000
     17     -18.3583      1.00000
     18     -18.3499      1.00000
     19     -18.0170      1.00000
     20     -17.0664      1.00000
     21     -17.0284      1.00000
     22     -16.9422      1.00000
     23     -16.9374      1.00000
     24     -16.4655      1.00000
     25     -16.4606      1.00000
     26     -15.6115      1.00000
     27     -15.6048      1.00000
     28     -15.2503      1.00000
     29     -15.2412      1.00000
     30     -15.1824      1.00000
     31     -15.0956      1.00000
     32     -15.0690      1.00000
     33     -14.6961      1.00000
     34     -14.6940      1.00000
     35     -13.7242      1.00000
     36     -13.7214      1.00000
     37     -13.2336      1.00000
     38     -12.6118      1.00000
     39     -12.5818      1.00000
     40     -12.4520      1.00000
     41     -12.4481      1.00000
     42     -12.1072      1.00000
     43     -12.1022      1.00000
     44     -11.7143      1.00000
     45     -11.6838      1.00000
     46     -11.2326      1.00000
     47     -11.2235      1.00000
     48     -11.0154      1.00000
     49     -11.0076      1.00000
     50     -10.9240      1.00000
     51     -10.9027      1.00000
     52     -10.6249      1.00000
     53     -10.1527      1.00000
     54     -10.1482      1.00000
     55     -10.0899      1.00000
     56      -9.9945      1.00000
     57      -9.7004      1.00000
     58      -9.6926      1.00000
     59      -9.6540      1.00000
     60      -9.5893      1.00000
     61      -9.5739      1.00000
     62      -9.5566      1.00000
     63      -9.3051      1.00000
     64      -9.3012      1.00000
     65      -9.2715      1.00000
     66      -9.2335      1.00000
     67      -9.1343      1.00000
     68      -9.1138      1.00000
     69      -9.1085      1.00000
     70      -8.9380      1.00000
     71      -8.8694      1.00000
     72      -8.6019      1.00000
     73      -8.5886      1.00000
     74      -8.2373      1.00000
     75      -8.0987      1.00000
     76      -7.9069      1.00000
     77      -7.8611      1.00000
     78      -7.7697      1.00000
     79      -7.7549      1.00000
     80      -7.6939      1.00000
     81      -7.5506      1.00000
     82      -7.3369      1.00000
     83      -7.3205      1.00000
     84      -7.2034      1.00000
     85      -7.1194      1.00000
     86      -7.0305      1.00000
     87      -7.0097      1.00000
     88      -6.7023      1.00000
     89      -6.6766      1.00000
     90      -6.6392      1.00000
     91      -6.5950      1.00000
     92      -6.1141      1.00000
     93      -6.0598      1.00000
     94      -6.0287      1.00000
     95      -6.0089      1.00000
     96      -5.7808      1.00000
     97      -4.9661      1.00000
     98      -4.8285      1.00000
     99      -4.7442      1.00000
    100      -4.6772      1.00000
    101      -4.4601      1.00000
    102      -4.1977      1.00000
    103      -4.1679      1.00000
    104      -4.1253      1.00000
    105      -3.7230      1.00000
    106      -3.4786      1.00000
    107      -1.8679      0.00000
    108      -1.8092      0.00000
    109      -1.5217      0.00000
    110      -1.3768      0.00000
    111      -1.3205      0.00000
    112      -1.2868      0.00000
    113      -0.7182      0.00000
    114      -0.3750      0.00000
    115      -0.2496      0.00000
    116       0.0358      0.00000
    117       0.5625      0.00000
    118       0.7002      0.00000
    119       0.7477      0.00000
    120       1.0483      0.00000
    121       1.1010      0.00000
    122       1.1538      0.00000
    123       1.2284      0.00000
    124       1.3842      0.00000
    125       1.5275      0.00000
    126       1.5921      0.00000
    127       1.7172      0.00000
    128       1.7857      0.00000
    129       1.8575      0.00000
    130       1.8840      0.00000
    131       2.0954      0.00000
    132       2.1997      0.00000
    133       2.2450      0.00000
    134       2.3143      0.00000
    135       2.5166      0.00000
    136       2.5837      0.00000
    137       2.6012      0.00000
    138       2.7587      0.00000
    139       2.7906      0.00000
    140       2.8072      0.00000
    141       2.8235      0.00000
    142       2.8871      0.00000
    143       2.9258      0.00000
    144       3.0945      0.00000
    145       3.1597      0.00000
    146       3.2985      0.00000
    147       3.3309      0.00000
    148       3.3852      0.00000
    149       3.4474      0.00000
    150       3.5798      0.00000
    151       3.6183      0.00000
    152       3.6386      0.00000
    153       3.6917      0.00000
    154       3.8959      0.00000
    155       3.9526      0.00000
    156       4.0148      0.00000
    157       4.0644      0.00000
    158       4.2098      0.00000
    159       4.2352      0.00000
    160       4.2738      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2806      1.00000
      2     -22.0757      1.00000
      3     -21.7141      1.00000
      4     -21.6828      1.00000
      5     -20.9766      1.00000
      6     -20.9369      1.00000
      7     -20.6091      1.00000
      8     -20.5731      1.00000
      9     -20.5671      1.00000
     10     -20.0305      1.00000
     11     -19.5008      1.00000
     12     -19.4891      1.00000
     13     -19.3046      1.00000
     14     -19.2994      1.00000
     15     -18.4450      1.00000
     16     -18.4090      1.00000
     17     -17.9200      1.00000
     18     -17.9105      1.00000
     19     -17.7590      1.00000
     20     -17.7240      1.00000
     21     -17.4338      1.00000
     22     -17.4261      1.00000
     23     -17.3390      1.00000
     24     -16.4603      1.00000
     25     -16.4591      1.00000
     26     -15.9646      1.00000
     27     -15.4116      1.00000
     28     -15.4064      1.00000
     29     -15.0939      1.00000
     30     -15.0908      1.00000
     31     -14.8530      1.00000
     32     -14.8452      1.00000
     33     -14.2879      1.00000
     34     -14.2554      1.00000
     35     -13.4343      1.00000
     36     -13.4021      1.00000
     37     -13.1752      1.00000
     38     -13.1715      1.00000
     39     -12.9794      1.00000
     40     -12.9745      1.00000
     41     -12.6110      1.00000
     42     -12.6072      1.00000
     43     -12.1956      1.00000
     44     -11.5735      1.00000
     45     -11.5402      1.00000
     46     -11.3079      1.00000
     47     -11.2853      1.00000
     48     -11.1399      1.00000
     49     -10.6723      1.00000
     50     -10.6582      1.00000
     51     -10.5470      1.00000
     52     -10.3214      1.00000
     53     -10.3151      1.00000
     54     -10.1684      1.00000
     55     -10.1127      1.00000
     56     -10.1097      1.00000
     57      -9.7955      1.00000
     58      -9.7629      1.00000
     59      -9.7490      1.00000
     60      -9.6974      1.00000
     61      -9.6957      1.00000
     62      -9.6595      1.00000
     63      -9.3528      1.00000
     64      -9.3485      1.00000
     65      -9.3127      1.00000
     66      -9.0380      1.00000
     67      -8.9604      1.00000
     68      -8.9470      1.00000
     69      -8.7966      1.00000
     70      -8.5914      1.00000
     71      -8.5565      1.00000
     72      -8.3951      1.00000
     73      -8.3629      1.00000
     74      -8.3221      1.00000
     75      -8.3043      1.00000
     76      -8.2565      1.00000
     77      -8.2554      1.00000
     78      -8.2338      1.00000
     79      -7.9068      1.00000
     80      -7.6496      1.00000
     81      -7.5397      1.00000
     82      -7.3843      1.00000
     83      -7.3471      1.00000
     84      -7.2291      1.00000
     85      -7.0963      1.00000
     86      -7.0357      1.00000
     87      -6.9328      1.00000
     88      -6.8439      1.00000
     89      -6.6099      1.00000
     90      -6.5570      1.00000
     91      -6.2673      1.00000
     92      -6.0403      1.00000
     93      -5.9494      1.00000
     94      -5.6601      1.00000
     95      -5.6201      1.00000
     96      -5.4580      1.00000
     97      -5.3171      1.00000
     98      -5.2767      1.00000
     99      -5.2121      1.00000
    100      -5.1916      1.00000
    101      -4.4972      1.00000
    102      -4.2013      1.00000
    103      -4.0531      1.00000
    104      -3.9865      1.00000
    105      -3.6889      1.00000
    106      -3.4887      1.00000
    107      -1.9442      0.00000
    108      -1.8968      0.00000
    109      -1.3349      0.00000
    110      -1.0841      0.00000
    111      -1.0576      0.00000
    112      -0.7988      0.00000
    113      -0.6775      0.00000
    114      -0.6456      0.00000
    115      -0.6060      0.00000
    116      -0.1085      0.00000
    117       0.2164      0.00000
    118       0.3287      0.00000
    119       0.7026      0.00000
    120       0.8919      0.00000
    121       1.1276      0.00000
    122       1.2005      0.00000
    123       1.3332      0.00000
    124       1.4283      0.00000
    125       1.5581      0.00000
    126       1.5792      0.00000
    127       1.6932      0.00000
    128       1.8019      0.00000
    129       1.8772      0.00000
    130       2.0488      0.00000
    131       2.0945      0.00000
    132       2.2887      0.00000
    133       2.3535      0.00000
    134       2.4100      0.00000
    135       2.5536      0.00000
    136       2.6314      0.00000
    137       2.7034      0.00000
    138       2.7348      0.00000
    139       2.7706      0.00000
    140       2.8665      0.00000
    141       3.0235      0.00000
    142       3.0631      0.00000
    143       3.1686      0.00000
    144       3.2654      0.00000
    145       3.3658      0.00000
    146       3.4165      0.00000
    147       3.4340      0.00000
    148       3.5450      0.00000
    149       3.5671      0.00000
    150       3.5899      0.00000
    151       3.6572      0.00000
    152       3.6751      0.00000
    153       3.7493      0.00000
    154       3.7559      0.00000
    155       3.8054      0.00000
    156       3.8870      0.00000
    157       3.9289      0.00000
    158       3.9915      0.00000
    159       4.2075      0.00000
    160       4.2212      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3147      1.00000
      2     -21.9599      1.00000
      3     -21.8920      1.00000
      4     -21.3784      1.00000
      5     -21.3495      1.00000
      6     -20.8369      1.00000
      7     -20.7728      1.00000
      8     -20.6220      1.00000
      9     -20.0751      1.00000
     10     -20.0695      1.00000
     11     -19.7146      1.00000
     12     -19.6903      1.00000
     13     -18.9940      1.00000
     14     -18.9882      1.00000
     15     -18.6381      1.00000
     16     -18.6223      1.00000
     17     -18.4601      1.00000
     18     -17.6726      1.00000
     19     -17.6230      1.00000
     20     -17.6202      1.00000
     21     -17.5789      1.00000
     22     -17.1242      1.00000
     23     -17.1027      1.00000
     24     -16.9592      1.00000
     25     -15.9990      1.00000
     26     -15.9271      1.00000
     27     -15.5834      1.00000
     28     -15.5831      1.00000
     29     -15.2848      1.00000
     30     -14.8616      1.00000
     31     -14.8345      1.00000
     32     -14.5767      1.00000
     33     -14.5356      1.00000
     34     -14.1657      1.00000
     35     -14.1526      1.00000
     36     -13.1456      1.00000
     37     -13.0981      1.00000
     38     -13.0280      1.00000
     39     -13.0178      1.00000
     40     -12.7070      1.00000
     41     -12.7029      1.00000
     42     -12.3385      1.00000
     43     -12.3078      1.00000
     44     -11.6333      1.00000
     45     -11.6197      1.00000
     46     -11.5695      1.00000
     47     -10.9465      1.00000
     48     -10.9140      1.00000
     49     -10.6279      1.00000
     50     -10.6224      1.00000
     51     -10.5435      1.00000
     52     -10.4967      1.00000
     53     -10.4964      1.00000
     54     -10.4375      1.00000
     55     -10.3587      1.00000
     56     -10.0963      1.00000
     57      -9.9017      1.00000
     58      -9.6067      1.00000
     59      -9.5550      1.00000
     60      -9.4506      1.00000
     61      -9.4093      1.00000
     62      -9.4021      1.00000
     63      -9.3755      1.00000
     64      -9.3755      1.00000
     65      -9.2843      1.00000
     66      -9.1661      1.00000
     67      -9.1406      1.00000
     68      -9.1119      1.00000
     69      -8.8616      1.00000
     70      -8.8544      1.00000
     71      -8.8132      1.00000
     72      -8.5952      1.00000
     73      -8.4781      1.00000
     74      -8.1964      1.00000
     75      -8.1610      1.00000
     76      -8.0109      1.00000
     77      -7.9546      1.00000
     78      -7.8489      1.00000
     79      -7.8385      1.00000
     80      -7.7040      1.00000
     81      -7.6943      1.00000
     82      -7.6229      1.00000
     83      -7.4428      1.00000
     84      -7.3037      1.00000
     85      -7.2443      1.00000
     86      -6.9036      1.00000
     87      -6.8904      1.00000
     88      -6.5870      1.00000
     89      -6.5483      1.00000
     90      -6.4048      1.00000
     91      -6.2511      1.00000
     92      -6.2302      1.00000
     93      -6.2027      1.00000
     94      -6.0205      1.00000
     95      -5.5468      1.00000
     96      -5.4858      1.00000
     97      -5.3463      1.00000
     98      -5.2182      1.00000
     99      -4.9767      1.00000
    100      -4.7261      1.00000
    101      -4.6746      1.00000
    102      -4.3810      1.00000
    103      -4.1967      1.00000
    104      -3.8620      1.00000
    105      -3.5439      1.00000
    106      -3.5000      1.00000
    107      -2.2562      0.00000
    108      -1.4527      0.00000
    109      -1.3712      0.00000
    110      -1.2410      0.00000
    111      -1.0956      0.00000
    112      -0.9440      0.00000
    113      -0.8627      0.00000
    114      -0.8022      0.00000
    115      -0.1402      0.00000
    116       0.1102      0.00000
    117       0.2418      0.00000
    118       0.3780      0.00000
    119       0.6611      0.00000
    120       0.8360      0.00000
    121       0.9378      0.00000
    122       1.0686      0.00000
    123       1.2444      0.00000
    124       1.4462      0.00000
    125       1.5663      0.00000
    126       1.7679      0.00000
    127       1.7879      0.00000
    128       1.8525      0.00000
    129       1.9864      0.00000
    130       2.0326      0.00000
    131       2.1780      0.00000
    132       2.1900      0.00000
    133       2.3986      0.00000
    134       2.4179      0.00000
    135       2.4894      0.00000
    136       2.6061      0.00000
    137       2.6334      0.00000
    138       2.7077      0.00000
    139       2.7548      0.00000
    140       2.8433      0.00000
    141       2.9610      0.00000
    142       3.0708      0.00000
    143       3.1602      0.00000
    144       3.1937      0.00000
    145       3.2272      0.00000
    146       3.2803      0.00000
    147       3.3118      0.00000
    148       3.4640      0.00000
    149       3.5150      0.00000
    150       3.6991      0.00000
    151       3.7204      0.00000
    152       3.7253      0.00000
    153       3.8664      0.00000
    154       3.8886      0.00000
    155       3.9338      0.00000
    156       3.9622      0.00000
    157       3.9858      0.00000
    158       4.0209      0.00000
    159       4.0261      0.00000
    160       4.0447      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2069      1.00000
      2     -22.1158      1.00000
      3     -21.9548      1.00000
      4     -21.4021      1.00000
      5     -21.0472      1.00000
      6     -21.0119      1.00000
      7     -20.4980      1.00000
      8     -20.4592      1.00000
      9     -20.2928      1.00000
     10     -20.2738      1.00000
     11     -19.9549      1.00000
     12     -19.8900      1.00000
     13     -18.8797      1.00000
     14     -18.8119      1.00000
     15     -18.3501      1.00000
     16     -18.3048      1.00000
     17     -18.1509      1.00000
     18     -18.1339      1.00000
     19     -17.8242      1.00000
     20     -17.7874      1.00000
     21     -17.2497      1.00000
     22     -17.2392      1.00000
     23     -17.1630      1.00000
     24     -17.1307      1.00000
     25     -16.1077      1.00000
     26     -15.8831      1.00000
     27     -15.8680      1.00000
     28     -15.8318      1.00000
     29     -15.2345      1.00000
     30     -14.5526      1.00000
     31     -14.5250      1.00000
     32     -14.2782      1.00000
     33     -13.9618      1.00000
     34     -13.9541      1.00000
     35     -13.8185      1.00000
     36     -13.8022      1.00000
     37     -13.6121      1.00000
     38     -13.5690      1.00000
     39     -13.3677      1.00000
     40     -12.6322      1.00000
     41     -12.1783      1.00000
     42     -12.1312      1.00000
     43     -12.0694      1.00000
     44     -12.0177      1.00000
     45     -11.6675      1.00000
     46     -11.6544      1.00000
     47     -11.1363      1.00000
     48     -11.1162      1.00000
     49     -10.7918      1.00000
     50     -10.7288      1.00000
     51     -10.5213      1.00000
     52     -10.2071      1.00000
     53     -10.2030      1.00000
     54     -10.1630      1.00000
     55     -10.0158      1.00000
     56     -10.0025      1.00000
     57      -9.9884      1.00000
     58      -9.7994      1.00000
     59      -9.7958      1.00000
     60      -9.7603      1.00000
     61      -9.7555      1.00000
     62      -9.4521      1.00000
     63      -9.4141      1.00000
     64      -9.0768      1.00000
     65      -9.0708      1.00000
     66      -9.0393      1.00000
     67      -8.9529      1.00000
     68      -8.8748      1.00000
     69      -8.7101      1.00000
     70      -8.6981      1.00000
     71      -8.5635      1.00000
     72      -8.5406      1.00000
     73      -8.4968      1.00000
     74      -8.4608      1.00000
     75      -8.4518      1.00000
     76      -8.2568      1.00000
     77      -8.1238      1.00000
     78      -8.0408      1.00000
     79      -7.9137      1.00000
     80      -7.8599      1.00000
     81      -7.6147      1.00000
     82      -7.5459      1.00000
     83      -7.4927      1.00000
     84      -7.2580      1.00000
     85      -6.9933      1.00000
     86      -6.9214      1.00000
     87      -6.8804      1.00000
     88      -6.5300      1.00000
     89      -6.4849      1.00000
     90      -6.4586      1.00000
     91      -6.4082      1.00000
     92      -5.9802      1.00000
     93      -5.8947      1.00000
     94      -5.7826      1.00000
     95      -5.7573      1.00000
     96      -5.4272      1.00000
     97      -5.3262      1.00000
     98      -5.2286      1.00000
     99      -5.2156      1.00000
    100      -5.1861      1.00000
    101      -4.6867      1.00000
    102      -4.4136      1.00000
    103      -4.2030      1.00000
    104      -3.8243      1.00000
    105      -3.5192      1.00000
    106      -3.2726      1.00000
    107      -2.5306      0.00000
    108      -1.4541      0.00000
    109      -1.2664      0.00000
    110      -1.2022      0.00000
    111      -1.1714      0.00000
    112      -0.7181      0.00000
    113      -0.5028      0.00000
    114      -0.4114      0.00000
    115      -0.3383      0.00000
    116      -0.1453      0.00000
    117      -0.0018      0.00000
    118       0.1930      0.00000
    119       0.5612      0.00000
    120       0.6136      0.00000
    121       0.8044      0.00000
    122       0.9137      0.00000
    123       1.1409      0.00000
    124       1.5018      0.00000
    125       1.6380      0.00000
    126       1.8640      0.00000
    127       1.9341      0.00000
    128       2.0888      0.00000
    129       2.1131      0.00000
    130       2.1256      0.00000
    131       2.1603      0.00000
    132       2.2811      0.00000
    133       2.3044      0.00000
    134       2.4481      0.00000
    135       2.5734      0.00000
    136       2.6612      0.00000
    137       2.8611      0.00000
    138       2.8724      0.00000
    139       2.9004      0.00000
    140       2.9744      0.00000
    141       3.0054      0.00000
    142       3.1315      0.00000
    143       3.1496      0.00000
    144       3.2082      0.00000
    145       3.2693      0.00000
    146       3.2915      0.00000
    147       3.3085      0.00000
    148       3.3533      0.00000
    149       3.4315      0.00000
    150       3.4473      0.00000
    151       3.5512      0.00000
    152       3.6107      0.00000
    153       3.6550      0.00000
    154       3.6937      0.00000
    155       3.7848      0.00000
    156       3.9022      0.00000
    157       3.9158      0.00000
    158       4.0042      0.00000
    159       4.1469      0.00000
    160       4.2274      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3145      1.00000
      2     -21.9615      1.00000
      3     -21.8905      1.00000
      4     -21.3820      1.00000
      5     -21.3462      1.00000
      6     -20.8368      1.00000
      7     -20.7713      1.00000
      8     -20.6226      1.00000
      9     -20.0870      1.00000
     10     -20.0589      1.00000
     11     -19.7161      1.00000
     12     -19.6876      1.00000
     13     -19.0071      1.00000
     14     -18.9767      1.00000
     15     -18.6474      1.00000
     16     -18.6153      1.00000
     17     -18.4583      1.00000
     18     -17.6578      1.00000
     19     -17.6441      1.00000
     20     -17.6084      1.00000
     21     -17.5759      1.00000
     22     -17.1345      1.00000
     23     -17.0955      1.00000
     24     -16.9641      1.00000
     25     -16.0062      1.00000
     26     -15.9207      1.00000
     27     -15.5963      1.00000
     28     -15.5732      1.00000
     29     -15.2773      1.00000
     30     -14.8741      1.00000
     31     -14.8279      1.00000
     32     -14.5722      1.00000
     33     -14.5346      1.00000
     34     -14.1618      1.00000
     35     -14.1575      1.00000
     36     -13.1598      1.00000
     37     -13.0934      1.00000
     38     -13.0208      1.00000
     39     -13.0161      1.00000
     40     -12.7152      1.00000
     41     -12.6924      1.00000
     42     -12.3383      1.00000
     43     -12.3114      1.00000
     44     -11.6293      1.00000
     45     -11.6202      1.00000
     46     -11.5678      1.00000
     47     -10.9385      1.00000
     48     -10.9205      1.00000
     49     -10.6628      1.00000
     50     -10.5881      1.00000
     51     -10.5703      1.00000
     52     -10.4991      1.00000
     53     -10.4858      1.00000
     54     -10.4370      1.00000
     55     -10.3535      1.00000
     56     -10.1005      1.00000
     57      -9.8960      1.00000
     58      -9.6056      1.00000
     59      -9.5489      1.00000
     60      -9.4509      1.00000
     61      -9.4164      1.00000
     62      -9.4065      1.00000
     63      -9.3778      1.00000
     64      -9.3695      1.00000
     65      -9.2651      1.00000
     66      -9.1628      1.00000
     67      -9.1391      1.00000
     68      -9.1136      1.00000
     69      -8.8638      1.00000
     70      -8.8581      1.00000
     71      -8.8001      1.00000
     72      -8.5941      1.00000
     73      -8.5229      1.00000
     74      -8.1911      1.00000
     75      -8.1684      1.00000
     76      -8.0767      1.00000
     77      -7.8560      1.00000
     78      -7.8345      1.00000
     79      -7.8181      1.00000
     80      -7.7082      1.00000
     81      -7.6941      1.00000
     82      -7.5997      1.00000
     83      -7.5213      1.00000
     84      -7.3498      1.00000
     85      -7.1622      1.00000
     86      -6.9032      1.00000
     87      -6.8934      1.00000
     88      -6.5912      1.00000
     89      -6.5487      1.00000
     90      -6.4035      1.00000
     91      -6.3000      1.00000
     92      -6.2457      1.00000
     93      -6.1990      1.00000
     94      -6.0010      1.00000
     95      -5.5281      1.00000
     96      -5.4629      1.00000
     97      -5.3105      1.00000
     98      -5.2076      1.00000
     99      -5.0421      1.00000
    100      -4.7194      1.00000
    101      -4.6679      1.00000
    102      -4.4157      1.00000
    103      -4.1891      1.00000
    104      -3.8336      1.00000
    105      -3.6288      1.00000
    106      -3.4113      1.00000
    107      -2.2907      0.00000
    108      -1.5061      0.00000
    109      -1.2690      0.00000
    110      -1.2619      0.00000
    111      -1.0326      0.00000
    112      -0.9776      0.00000
    113      -0.8672      0.00000
    114      -0.7988      0.00000
    115      -0.2613      0.00000
    116       0.2051      0.00000
    117       0.2403      0.00000
    118       0.3599      0.00000
    119       0.6983      0.00000
    120       0.8953      0.00000
    121       0.9253      0.00000
    122       1.0461      0.00000
    123       1.1722      0.00000
    124       1.5138      0.00000
    125       1.5724      0.00000
    126       1.7100      0.00000
    127       1.7800      0.00000
    128       1.8237      0.00000
    129       1.9454      0.00000
    130       2.0005      0.00000
    131       2.1648      0.00000
    132       2.2736      0.00000
    133       2.4029      0.00000
    134       2.4281      0.00000
    135       2.4846      0.00000
    136       2.6028      0.00000
    137       2.6199      0.00000
    138       2.7116      0.00000
    139       2.7350      0.00000
    140       2.8666      0.00000
    141       3.0456      0.00000
    142       3.0707      0.00000
    143       3.1611      0.00000
    144       3.2055      0.00000
    145       3.2200      0.00000
    146       3.2797      0.00000
    147       3.3254      0.00000
    148       3.4515      0.00000
    149       3.5332      0.00000
    150       3.7007      0.00000
    151       3.7207      0.00000
    152       3.7480      0.00000
    153       3.8292      0.00000
    154       3.8690      0.00000
    155       3.9265      0.00000
    156       3.9676      0.00000
    157       3.9816      0.00000
    158       4.0127      0.00000
    159       4.0164      0.00000
    160       4.0777      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3869      1.00000
      2     -21.8279      1.00000
      3     -21.6389      1.00000
      4     -21.6046      1.00000
      5     -21.2760      1.00000
      6     -21.2300      1.00000
      7     -21.0544      1.00000
      8     -20.1685      1.00000
      9     -20.1234      1.00000
     10     -19.6144      1.00000
     11     -19.5889      1.00000
     12     -19.4132      1.00000
     13     -19.0919      1.00000
     14     -19.0536      1.00000
     15     -19.0500      1.00000
     16     -19.0364      1.00000
     17     -18.3644      1.00000
     18     -18.3451      1.00000
     19     -18.0141      1.00000
     20     -17.0688      1.00000
     21     -17.0213      1.00000
     22     -16.9475      1.00000
     23     -16.9340      1.00000
     24     -16.4727      1.00000
     25     -16.4612      1.00000
     26     -15.6072      1.00000
     27     -15.6066      1.00000
     28     -15.2471      1.00000
     29     -15.2352      1.00000
     30     -15.1884      1.00000
     31     -15.0996      1.00000
     32     -15.0659      1.00000
     33     -14.6961      1.00000
     34     -14.6952      1.00000
     35     -13.7226      1.00000
     36     -13.7226      1.00000
     37     -13.2325      1.00000
     38     -12.6217      1.00000
     39     -12.5775      1.00000
     40     -12.4522      1.00000
     41     -12.4468      1.00000
     42     -12.1026      1.00000
     43     -12.0977      1.00000
     44     -11.7192      1.00000
     45     -11.6814      1.00000
     46     -11.2433      1.00000
     47     -11.2223      1.00000
     48     -11.0148      1.00000
     49     -11.0033      1.00000
     50     -10.9252      1.00000
     51     -10.8971      1.00000
     52     -10.6310      1.00000
     53     -10.1698      1.00000
     54     -10.1470      1.00000
     55     -10.0825      1.00000
     56      -9.9870      1.00000
     57      -9.6932      1.00000
     58      -9.6865      1.00000
     59      -9.6689      1.00000
     60      -9.5901      1.00000
     61      -9.5664      1.00000
     62      -9.5505      1.00000
     63      -9.3099      1.00000
     64      -9.2974      1.00000
     65      -9.2796      1.00000
     66      -9.2415      1.00000
     67      -9.1201      1.00000
     68      -9.1096      1.00000
     69      -9.1086      1.00000
     70      -8.9374      1.00000
     71      -8.8738      1.00000
     72      -8.6020      1.00000
     73      -8.5849      1.00000
     74      -8.2701      1.00000
     75      -8.0983      1.00000
     76      -7.8661      1.00000
     77      -7.8416      1.00000
     78      -7.7886      1.00000
     79      -7.7628      1.00000
     80      -7.7526      1.00000
     81      -7.4357      1.00000
     82      -7.3326      1.00000
     83      -7.3199      1.00000
     84      -7.2636      1.00000
     85      -7.1646      1.00000
     86      -7.0134      1.00000
     87      -6.9834      1.00000
     88      -6.7152      1.00000
     89      -6.6904      1.00000
     90      -6.6294      1.00000
     91      -6.5873      1.00000
     92      -6.1148      1.00000
     93      -6.0568      1.00000
     94      -6.0425      1.00000
     95      -6.0265      1.00000
     96      -5.7454      1.00000
     97      -4.9663      1.00000
     98      -4.8356      1.00000
     99      -4.7064      1.00000
    100      -4.6714      1.00000
    101      -4.4761      1.00000
    102      -4.3440      1.00000
    103      -4.1094      1.00000
    104      -4.0525      1.00000
    105      -3.7480      1.00000
    106      -3.4571      1.00000
    107      -1.9473      0.00000
    108      -1.7699      0.00000
    109      -1.4793      0.00000
    110      -1.3540      0.00000
    111      -1.3361      0.00000
    112      -1.2909      0.00000
    113      -0.6782      0.00000
    114      -0.4701      0.00000
    115      -0.2341      0.00000
    116       0.0504      0.00000
    117       0.5962      0.00000
    118       0.6941      0.00000
    119       0.7695      0.00000
    120       1.0206      0.00000
    121       1.0985      0.00000
    122       1.1774      0.00000
    123       1.2519      0.00000
    124       1.3427      0.00000
    125       1.4452      0.00000
    126       1.6046      0.00000
    127       1.7369      0.00000
    128       1.8480      0.00000
    129       1.8563      0.00000
    130       1.8931      0.00000
    131       2.0334      0.00000
    132       2.2242      0.00000
    133       2.2481      0.00000
    134       2.2975      0.00000
    135       2.4783      0.00000
    136       2.5780      0.00000
    137       2.6327      0.00000
    138       2.7588      0.00000
    139       2.7692      0.00000
    140       2.8155      0.00000
    141       2.8388      0.00000
    142       2.8453      0.00000
    143       2.9139      0.00000
    144       3.1018      0.00000
    145       3.2964      0.00000
    146       3.3258      0.00000
    147       3.3633      0.00000
    148       3.3957      0.00000
    149       3.4047      0.00000
    150       3.5617      0.00000
    151       3.6025      0.00000
    152       3.6524      0.00000
    153       3.7264      0.00000
    154       3.8905      0.00000
    155       3.9217      0.00000
    156       3.9385      0.00000
    157       4.1022      0.00000
    158       4.1943      0.00000
    159       4.2239      0.00000
    160       4.2745      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2060      1.00000
      2     -22.1172      1.00000
      3     -21.9545      1.00000
      4     -21.4023      1.00000
      5     -21.0435      1.00000
      6     -21.0155      1.00000
      7     -20.4932      1.00000
      8     -20.4639      1.00000
      9     -20.2840      1.00000
     10     -20.2818      1.00000
     11     -19.9539      1.00000
     12     -19.8919      1.00000
     13     -18.8806      1.00000
     14     -18.8142      1.00000
     15     -18.3350      1.00000
     16     -18.3158      1.00000
     17     -18.1469      1.00000
     18     -18.1393      1.00000
     19     -17.8133      1.00000
     20     -17.7950      1.00000
     21     -17.2558      1.00000
     22     -17.2364      1.00000
     23     -17.1573      1.00000
     24     -17.1337      1.00000
     25     -16.1140      1.00000
     26     -15.8781      1.00000
     27     -15.8671      1.00000
     28     -15.8385      1.00000
     29     -15.2282      1.00000
     30     -14.5486      1.00000
     31     -14.5305      1.00000
     32     -14.2730      1.00000
     33     -13.9722      1.00000
     34     -13.9489      1.00000
     35     -13.8219      1.00000
     36     -13.8005      1.00000
     37     -13.6016      1.00000
     38     -13.5763      1.00000
     39     -13.3678      1.00000
     40     -12.6362      1.00000
     41     -12.1664      1.00000
     42     -12.1402      1.00000
     43     -12.0654      1.00000
     44     -12.0193      1.00000
     45     -11.6620      1.00000
     46     -11.6574      1.00000
     47     -11.1344      1.00000
     48     -11.1237      1.00000
     49     -10.7880      1.00000
     50     -10.7327      1.00000
     51     -10.5283      1.00000
     52     -10.2053      1.00000
     53     -10.1994      1.00000
     54     -10.1686      1.00000
     55     -10.0196      1.00000
     56      -9.9921      1.00000
     57      -9.9877      1.00000
     58      -9.8031      1.00000
     59      -9.7932      1.00000
     60      -9.7625      1.00000
     61      -9.7548      1.00000
     62      -9.4527      1.00000
     63      -9.4142      1.00000
     64      -9.0819      1.00000
     65      -9.0435      1.00000
     66      -9.0234      1.00000
     67      -8.9672      1.00000
     68      -8.8944      1.00000
     69      -8.7054      1.00000
     70      -8.6963      1.00000
     71      -8.5583      1.00000
     72      -8.5475      1.00000
     73      -8.4769      1.00000
     74      -8.4573      1.00000
     75      -8.4541      1.00000
     76      -8.3028      1.00000
     77      -8.0915      1.00000
     78      -8.0888      1.00000
     79      -7.9249      1.00000
     80      -7.8310      1.00000
     81      -7.5987      1.00000
     82      -7.5349      1.00000
     83      -7.4507      1.00000
     84      -7.2990      1.00000
     85      -6.9903      1.00000
     86      -6.9174      1.00000
     87      -6.8798      1.00000
     88      -6.5260      1.00000
     89      -6.5131      1.00000
     90      -6.4789      1.00000
     91      -6.4190      1.00000
     92      -5.9231      1.00000
     93      -5.9021      1.00000
     94      -5.7869      1.00000
     95      -5.7722      1.00000
     96      -5.3656      1.00000
     97      -5.3587      1.00000
     98      -5.2179      1.00000
     99      -5.2138      1.00000
    100      -5.1965      1.00000
    101      -4.7155      1.00000
    102      -4.4329      1.00000
    103      -4.1853      1.00000
    104      -3.8105      1.00000
    105      -3.5563      1.00000
    106      -3.2208      1.00000
    107      -2.5604      0.00000
    108      -1.4592      0.00000
    109      -1.2673      0.00000
    110      -1.1840      0.00000
    111      -1.1827      0.00000
    112      -0.6433      0.00000
    113      -0.5517      0.00000
    114      -0.4139      0.00000
    115      -0.3465      0.00000
    116      -0.0773      0.00000
    117      -0.0630      0.00000
    118       0.1264      0.00000
    119       0.5941      0.00000
    120       0.6280      0.00000
    121       0.8623      0.00000
    122       0.9958      0.00000
    123       1.0084      0.00000
    124       1.4963      0.00000
    125       1.6861      0.00000
    126       1.7849      0.00000
    127       1.8683      0.00000
    128       2.0843      0.00000
    129       2.1188      0.00000
    130       2.1691      0.00000
    131       2.2121      0.00000
    132       2.2483      0.00000
    133       2.3240      0.00000
    134       2.4796      0.00000
    135       2.5039      0.00000
    136       2.6703      0.00000
    137       2.8542      0.00000
    138       2.8624      0.00000
    139       2.9576      0.00000
    140       2.9605      0.00000
    141       3.0204      0.00000
    142       3.1426      0.00000
    143       3.1456      0.00000
    144       3.2227      0.00000
    145       3.2520      0.00000
    146       3.2814      0.00000
    147       3.3119      0.00000
    148       3.3630      0.00000
    149       3.4204      0.00000
    150       3.5531      0.00000
    151       3.5681      0.00000
    152       3.6425      0.00000
    153       3.6438      0.00000
    154       3.6651      0.00000
    155       3.6976      0.00000
    156       3.9073      0.00000
    157       3.9320      0.00000
    158       4.0380      0.00000
    159       4.0920      0.00000
    160       4.1934      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2802      1.00000
      2     -22.0763      1.00000
      3     -21.7176      1.00000
      4     -21.6792      1.00000
      5     -20.9799      1.00000
      6     -20.9331      1.00000
      7     -20.6084      1.00000
      8     -20.5769      1.00000
      9     -20.5637      1.00000
     10     -20.0298      1.00000
     11     -19.5106      1.00000
     12     -19.4814      1.00000
     13     -19.3093      1.00000
     14     -19.2965      1.00000
     15     -18.4466      1.00000
     16     -18.4043      1.00000
     17     -17.9251      1.00000
     18     -17.9053      1.00000
     19     -17.7628      1.00000
     20     -17.7187      1.00000
     21     -17.4393      1.00000
     22     -17.4213      1.00000
     23     -17.3354      1.00000
     24     -16.4689      1.00000
     25     -16.4589      1.00000
     26     -15.9678      1.00000
     27     -15.4086      1.00000
     28     -15.4078      1.00000
     29     -15.0937      1.00000
     30     -15.0906      1.00000
     31     -14.8502      1.00000
     32     -14.8383      1.00000
     33     -14.2953      1.00000
     34     -14.2515      1.00000
     35     -13.4418      1.00000
     36     -13.3978      1.00000
     37     -13.1727      1.00000
     38     -13.1713      1.00000
     39     -12.9830      1.00000
     40     -12.9742      1.00000
     41     -12.6083      1.00000
     42     -12.6062      1.00000
     43     -12.1939      1.00000
     44     -11.5770      1.00000
     45     -11.5367      1.00000
     46     -11.3111      1.00000
     47     -11.2814      1.00000
     48     -11.1390      1.00000
     49     -10.6890      1.00000
     50     -10.6606      1.00000
     51     -10.5420      1.00000
     52     -10.3192      1.00000
     53     -10.3119      1.00000
     54     -10.1731      1.00000
     55     -10.1189      1.00000
     56     -10.1065      1.00000
     57      -9.8087      1.00000
     58      -9.7494      1.00000
     59      -9.7490      1.00000
     60      -9.6998      1.00000
     61      -9.6961      1.00000
     62      -9.6445      1.00000
     63      -9.3499      1.00000
     64      -9.3487      1.00000
     65      -9.3164      1.00000
     66      -9.0252      1.00000
     67      -8.9585      1.00000
     68      -8.9548      1.00000
     69      -8.7734      1.00000
     70      -8.5902      1.00000
     71      -8.5837      1.00000
     72      -8.4205      1.00000
     73      -8.3474      1.00000
     74      -8.3193      1.00000
     75      -8.3002      1.00000
     76      -8.2634      1.00000
     77      -8.2524      1.00000
     78      -8.2375      1.00000
     79      -7.9234      1.00000
     80      -7.7339      1.00000
     81      -7.3771      1.00000
     82      -7.3468      1.00000
     83      -7.3094      1.00000
     84      -7.2147      1.00000
     85      -7.1574      1.00000
     86      -7.0665      1.00000
     87      -6.9586      1.00000
     88      -6.9056      1.00000
     89      -6.6119      1.00000
     90      -6.5539      1.00000
     91      -6.2695      1.00000
     92      -5.9929      1.00000
     93      -5.9569      1.00000
     94      -5.6723      1.00000
     95      -5.6457      1.00000
     96      -5.3832      1.00000
     97      -5.3121      1.00000
     98      -5.2909      1.00000
     99      -5.2100      1.00000
    100      -5.1985      1.00000
    101      -4.5011      1.00000
    102      -4.3299      1.00000
    103      -3.9934      1.00000
    104      -3.8829      1.00000
    105      -3.7858      1.00000
    106      -3.4360      1.00000
    107      -2.0312      0.00000
    108      -1.8621      0.00000
    109      -1.2153      0.00000
    110      -1.1839      0.00000
    111      -1.0345      0.00000
    112      -0.7710      0.00000
    113      -0.6783      0.00000
    114      -0.6583      0.00000
    115      -0.6081      0.00000
    116      -0.1030      0.00000
    117       0.2242      0.00000
    118       0.2394      0.00000
    119       0.7789      0.00000
    120       0.9915      0.00000
    121       1.0766      0.00000
    122       1.2434      0.00000
    123       1.2532      0.00000
    124       1.3444      0.00000
    125       1.5822      0.00000
    126       1.5869      0.00000
    127       1.7160      0.00000
    128       1.7839      0.00000
    129       1.9566      0.00000
    130       1.9764      0.00000
    131       2.0357      0.00000
    132       2.2489      0.00000
    133       2.3426      0.00000
    134       2.4299      0.00000
    135       2.5448      0.00000
    136       2.6291      0.00000
    137       2.7113      0.00000
    138       2.7743      0.00000
    139       2.8485      0.00000
    140       2.8533      0.00000
    141       3.0182      0.00000
    142       3.1094      0.00000
    143       3.1655      0.00000
    144       3.2148      0.00000
    145       3.3735      0.00000
    146       3.4158      0.00000
    147       3.4955      0.00000
    148       3.5291      0.00000
    149       3.5928      0.00000
    150       3.5964      0.00000
    151       3.6430      0.00000
    152       3.7375      0.00000
    153       3.7395      0.00000
    154       3.7546      0.00000
    155       3.7615      0.00000
    156       3.8726      0.00000
    157       4.0181      0.00000
    158       4.0935      0.00000
    159       4.1727      0.00000
    160       4.2133      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4236      1.00000
      2     -21.5986      1.00000
      3     -21.4791      1.00000
      4     -21.4702      1.00000
      5     -21.4390      1.00000
      6     -21.4385      1.00000
      7     -21.4280      1.00000
      8     -19.7037      1.00000
      9     -19.6497      1.00000
     10     -19.6274      1.00000
     11     -19.6162      1.00000
     12     -19.6112      1.00000
     13     -19.6100      1.00000
     14     -18.7868      1.00000
     15     -18.7519      1.00000
     16     -18.7327      1.00000
     17     -18.7237      1.00000
     18     -18.7157      1.00000
     19     -18.7110      1.00000
     20     -16.6317      1.00000
     21     -16.6057      1.00000
     22     -16.5831      1.00000
     23     -16.5794      1.00000
     24     -16.5518      1.00000
     25     -16.5508      1.00000
     26     -15.6124      1.00000
     27     -15.5995      1.00000
     28     -15.5958      1.00000
     29     -15.5624      1.00000
     30     -15.5607      1.00000
     31     -15.5593      1.00000
     32     -14.2569      1.00000
     33     -14.2479      1.00000
     34     -14.2384      1.00000
     35     -14.2333      1.00000
     36     -14.2199      1.00000
     37     -14.2174      1.00000
     38     -11.9032      1.00000
     39     -11.8766      1.00000
     40     -11.8651      1.00000
     41     -11.8623      1.00000
     42     -11.8425      1.00000
     43     -11.8423      1.00000
     44     -11.7683      1.00000
     45     -11.7662      1.00000
     46     -11.7330      1.00000
     47     -11.7267      1.00000
     48     -11.7232      1.00000
     49     -11.7198      1.00000
     50     -10.6705      1.00000
     51     -10.3856      1.00000
     52     -10.3810      1.00000
     53     -10.3738      1.00000
     54     -10.3663      1.00000
     55     -10.3536      1.00000
     56     -10.3511      1.00000
     57      -9.8987      1.00000
     58      -9.4465      1.00000
     59      -9.4033      1.00000
     60      -9.3610      1.00000
     61      -9.3602      1.00000
     62      -9.3524      1.00000
     63      -9.1392      1.00000
     64      -9.1200      1.00000
     65      -9.1180      1.00000
     66      -9.0829      1.00000
     67      -9.0693      1.00000
     68      -9.0682      1.00000
     69      -9.0678      1.00000
     70      -9.0623      1.00000
     71      -9.0619      1.00000
     72      -9.0360      1.00000
     73      -9.0266      1.00000
     74      -9.0242      1.00000
     75      -8.1353      1.00000
     76      -7.7289      1.00000
     77      -7.4672      1.00000
     78      -7.4643      1.00000
     79      -7.4515      1.00000
     80      -7.4317      1.00000
     81      -7.4225      1.00000
     82      -7.4042      1.00000
     83      -7.3096      1.00000
     84      -7.2680      1.00000
     85      -7.2553      1.00000
     86      -7.2469      1.00000
     87      -7.1551      1.00000
     88      -7.0428      1.00000
     89      -6.4448      1.00000
     90      -6.4129      1.00000
     91      -6.3982      1.00000
     92      -6.3613      1.00000
     93      -6.3511      1.00000
     94      -6.3380      1.00000
     95      -5.9568      1.00000
     96      -5.9555      1.00000
     97      -4.7939      1.00000
     98      -4.5382      1.00000
     99      -4.4782      1.00000
    100      -4.4693      1.00000
    101      -4.3805      1.00000
    102      -4.3802      1.00000
    103      -4.2638      1.00000
    104      -4.1827      1.00000
    105      -3.7323      1.00000
    106      -3.4686      1.00000
    107      -1.8582      0.00000
    108      -1.6723      0.00000
    109      -1.6220      0.00000
    110      -1.5900      0.00000
    111      -1.5748      0.00000
    112      -1.5739      0.00000
    113      -0.4272      0.00000
    114       0.1443      0.00000
    115       0.1936      0.00000
    116       0.2570      0.00000
    117       0.2686      0.00000
    118       0.2722      0.00000
    119       0.4752      0.00000
    120       0.5584      0.00000
    121       1.2514      0.00000
    122       1.2906      0.00000
    123       1.5354      0.00000
    124       1.7555      0.00000
    125       1.7825      0.00000
    126       1.7852      0.00000
    127       1.7866      0.00000
    128       1.8348      0.00000
    129       1.9597      0.00000
    130       1.9724      0.00000
    131       1.9758      0.00000
    132       1.9901      0.00000
    133       1.9978      0.00000
    134       2.0871      0.00000
    135       2.2644      0.00000
    136       2.3309      0.00000
    137       2.6272      0.00000
    138       2.6294      0.00000
    139       2.6608      0.00000
    140       2.6852      0.00000
    141       2.9402      0.00000
    142       3.0065      0.00000
    143       3.0155      0.00000
    144       3.0346      0.00000
    145       3.0375      0.00000
    146       3.0379      0.00000
    147       3.0791      0.00000
    148       3.2683      0.00000
    149       3.4252      0.00000
    150       3.5026      0.00000
    151       3.7937      0.00000
    152       3.9108      0.00000
    153       3.9133      0.00000
    154       3.9142      0.00000
    155       3.9386      0.00000
    156       3.9921      0.00000
    157       4.1821      0.00000
    158       4.2685      0.00000
    159       4.2726      0.00000
    160       4.2899      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3869      1.00000
      2     -21.8276      1.00000
      3     -21.6358      1.00000
      4     -21.6084      1.00000
      5     -21.2719      1.00000
      6     -21.2333      1.00000
      7     -21.0549      1.00000
      8     -20.1649      1.00000
      9     -20.1275      1.00000
     10     -19.6060      1.00000
     11     -19.5951      1.00000
     12     -19.4151      1.00000
     13     -19.0867      1.00000
     14     -19.0577      1.00000
     15     -19.0470      1.00000
     16     -19.0393      1.00000
     17     -18.3583      1.00000
     18     -18.3499      1.00000
     19     -18.0170      1.00000
     20     -17.0664      1.00000
     21     -17.0284      1.00000
     22     -16.9422      1.00000
     23     -16.9374      1.00000
     24     -16.4655      1.00000
     25     -16.4606      1.00000
     26     -15.6115      1.00000
     27     -15.6048      1.00000
     28     -15.2503      1.00000
     29     -15.2412      1.00000
     30     -15.1824      1.00000
     31     -15.0956      1.00000
     32     -15.0690      1.00000
     33     -14.6961      1.00000
     34     -14.6940      1.00000
     35     -13.7242      1.00000
     36     -13.7214      1.00000
     37     -13.2336      1.00000
     38     -12.6118      1.00000
     39     -12.5818      1.00000
     40     -12.4520      1.00000
     41     -12.4481      1.00000
     42     -12.1072      1.00000
     43     -12.1022      1.00000
     44     -11.7143      1.00000
     45     -11.6838      1.00000
     46     -11.2326      1.00000
     47     -11.2235      1.00000
     48     -11.0154      1.00000
     49     -11.0076      1.00000
     50     -10.9240      1.00000
     51     -10.9027      1.00000
     52     -10.6249      1.00000
     53     -10.1527      1.00000
     54     -10.1482      1.00000
     55     -10.0899      1.00000
     56      -9.9945      1.00000
     57      -9.7004      1.00000
     58      -9.6926      1.00000
     59      -9.6540      1.00000
     60      -9.5893      1.00000
     61      -9.5739      1.00000
     62      -9.5566      1.00000
     63      -9.3051      1.00000
     64      -9.3012      1.00000
     65      -9.2715      1.00000
     66      -9.2335      1.00000
     67      -9.1343      1.00000
     68      -9.1138      1.00000
     69      -9.1085      1.00000
     70      -8.9380      1.00000
     71      -8.8694      1.00000
     72      -8.6019      1.00000
     73      -8.5886      1.00000
     74      -8.2373      1.00000
     75      -8.0987      1.00000
     76      -7.9069      1.00000
     77      -7.8611      1.00000
     78      -7.7697      1.00000
     79      -7.7549      1.00000
     80      -7.6939      1.00000
     81      -7.5506      1.00000
     82      -7.3369      1.00000
     83      -7.3205      1.00000
     84      -7.2034      1.00000
     85      -7.1194      1.00000
     86      -7.0305      1.00000
     87      -7.0097      1.00000
     88      -6.7023      1.00000
     89      -6.6766      1.00000
     90      -6.6392      1.00000
     91      -6.5950      1.00000
     92      -6.1141      1.00000
     93      -6.0598      1.00000
     94      -6.0287      1.00000
     95      -6.0089      1.00000
     96      -5.7808      1.00000
     97      -4.9661      1.00000
     98      -4.8285      1.00000
     99      -4.7442      1.00000
    100      -4.6771      1.00000
    101      -4.4601      1.00000
    102      -4.1977      1.00000
    103      -4.1679      1.00000
    104      -4.1253      1.00000
    105      -3.7230      1.00000
    106      -3.4785      1.00000
    107      -1.8679      0.00000
    108      -1.8092      0.00000
    109      -1.5217      0.00000
    110      -1.3768      0.00000
    111      -1.3205      0.00000
    112      -1.2868      0.00000
    113      -0.7182      0.00000
    114      -0.3749      0.00000
    115      -0.2496      0.00000
    116       0.0358      0.00000
    117       0.5625      0.00000
    118       0.7002      0.00000
    119       0.7477      0.00000
    120       1.0483      0.00000
    121       1.1010      0.00000
    122       1.1537      0.00000
    123       1.2284      0.00000
    124       1.3842      0.00000
    125       1.5275      0.00000
    126       1.5921      0.00000
    127       1.7173      0.00000
    128       1.7858      0.00000
    129       1.8575      0.00000
    130       1.8840      0.00000
    131       2.0954      0.00000
    132       2.1997      0.00000
    133       2.2450      0.00000
    134       2.3143      0.00000
    135       2.5166      0.00000
    136       2.5838      0.00000
    137       2.6012      0.00000
    138       2.7587      0.00000
    139       2.7906      0.00000
    140       2.8075      0.00000
    141       2.8235      0.00000
    142       2.8872      0.00000
    143       2.9259      0.00000
    144       3.0945      0.00000
    145       3.1597      0.00000
    146       3.2986      0.00000
    147       3.3311      0.00000
    148       3.3853      0.00000
    149       3.4475      0.00000
    150       3.5799      0.00000
    151       3.6184      0.00000
    152       3.6387      0.00000
    153       3.6918      0.00000
    154       3.8959      0.00000
    155       3.9527      0.00000
    156       4.0149      0.00000
    157       4.0645      0.00000
    158       4.2098      0.00000
    159       4.2352      0.00000
    160       4.2739      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2806      1.00000
      2     -22.0757      1.00000
      3     -21.7141      1.00000
      4     -21.6828      1.00000
      5     -20.9766      1.00000
      6     -20.9369      1.00000
      7     -20.6091      1.00000
      8     -20.5731      1.00000
      9     -20.5671      1.00000
     10     -20.0305      1.00000
     11     -19.5008      1.00000
     12     -19.4891      1.00000
     13     -19.3046      1.00000
     14     -19.2994      1.00000
     15     -18.4450      1.00000
     16     -18.4090      1.00000
     17     -17.9200      1.00000
     18     -17.9105      1.00000
     19     -17.7590      1.00000
     20     -17.7240      1.00000
     21     -17.4338      1.00000
     22     -17.4261      1.00000
     23     -17.3390      1.00000
     24     -16.4603      1.00000
     25     -16.4591      1.00000
     26     -15.9646      1.00000
     27     -15.4116      1.00000
     28     -15.4064      1.00000
     29     -15.0939      1.00000
     30     -15.0908      1.00000
     31     -14.8530      1.00000
     32     -14.8452      1.00000
     33     -14.2879      1.00000
     34     -14.2554      1.00000
     35     -13.4343      1.00000
     36     -13.4021      1.00000
     37     -13.1752      1.00000
     38     -13.1715      1.00000
     39     -12.9794      1.00000
     40     -12.9745      1.00000
     41     -12.6110      1.00000
     42     -12.6072      1.00000
     43     -12.1956      1.00000
     44     -11.5735      1.00000
     45     -11.5402      1.00000
     46     -11.3079      1.00000
     47     -11.2853      1.00000
     48     -11.1399      1.00000
     49     -10.6723      1.00000
     50     -10.6582      1.00000
     51     -10.5470      1.00000
     52     -10.3214      1.00000
     53     -10.3151      1.00000
     54     -10.1684      1.00000
     55     -10.1127      1.00000
     56     -10.1097      1.00000
     57      -9.7955      1.00000
     58      -9.7629      1.00000
     59      -9.7490      1.00000
     60      -9.6974      1.00000
     61      -9.6957      1.00000
     62      -9.6595      1.00000
     63      -9.3528      1.00000
     64      -9.3485      1.00000
     65      -9.3127      1.00000
     66      -9.0380      1.00000
     67      -8.9604      1.00000
     68      -8.9470      1.00000
     69      -8.7966      1.00000
     70      -8.5914      1.00000
     71      -8.5565      1.00000
     72      -8.3951      1.00000
     73      -8.3629      1.00000
     74      -8.3221      1.00000
     75      -8.3043      1.00000
     76      -8.2565      1.00000
     77      -8.2554      1.00000
     78      -8.2338      1.00000
     79      -7.9068      1.00000
     80      -7.6496      1.00000
     81      -7.5397      1.00000
     82      -7.3843      1.00000
     83      -7.3471      1.00000
     84      -7.2291      1.00000
     85      -7.0963      1.00000
     86      -7.0357      1.00000
     87      -6.9328      1.00000
     88      -6.8439      1.00000
     89      -6.6099      1.00000
     90      -6.5570      1.00000
     91      -6.2673      1.00000
     92      -6.0403      1.00000
     93      -5.9494      1.00000
     94      -5.6601      1.00000
     95      -5.6201      1.00000
     96      -5.4580      1.00000
     97      -5.3171      1.00000
     98      -5.2767      1.00000
     99      -5.2121      1.00000
    100      -5.1916      1.00000
    101      -4.4971      1.00000
    102      -4.2012      1.00000
    103      -4.0531      1.00000
    104      -3.9865      1.00000
    105      -3.6889      1.00000
    106      -3.4887      1.00000
    107      -1.9442      0.00000
    108      -1.8968      0.00000
    109      -1.3349      0.00000
    110      -1.0841      0.00000
    111      -1.0576      0.00000
    112      -0.7988      0.00000
    113      -0.6775      0.00000
    114      -0.6456      0.00000
    115      -0.6060      0.00000
    116      -0.1085      0.00000
    117       0.2164      0.00000
    118       0.3288      0.00000
    119       0.7026      0.00000
    120       0.8919      0.00000
    121       1.1276      0.00000
    122       1.2005      0.00000
    123       1.3331      0.00000
    124       1.4283      0.00000
    125       1.5581      0.00000
    126       1.5792      0.00000
    127       1.6932      0.00000
    128       1.8020      0.00000
    129       1.8773      0.00000
    130       2.0489      0.00000
    131       2.0945      0.00000
    132       2.2888      0.00000
    133       2.3535      0.00000
    134       2.4101      0.00000
    135       2.5536      0.00000
    136       2.6314      0.00000
    137       2.7037      0.00000
    138       2.7348      0.00000
    139       2.7707      0.00000
    140       2.8665      0.00000
    141       3.0235      0.00000
    142       3.0631      0.00000
    143       3.1686      0.00000
    144       3.2654      0.00000
    145       3.3658      0.00000
    146       3.4165      0.00000
    147       3.4340      0.00000
    148       3.5451      0.00000
    149       3.5671      0.00000
    150       3.5900      0.00000
    151       3.6572      0.00000
    152       3.6751      0.00000
    153       3.7495      0.00000
    154       3.7560      0.00000
    155       3.8054      0.00000
    156       3.8870      0.00000
    157       3.9289      0.00000
    158       3.9917      0.00000
    159       4.2075      0.00000
    160       4.2212      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3147      1.00000
      2     -21.9599      1.00000
      3     -21.8920      1.00000
      4     -21.3784      1.00000
      5     -21.3495      1.00000
      6     -20.8369      1.00000
      7     -20.7728      1.00000
      8     -20.6220      1.00000
      9     -20.0751      1.00000
     10     -20.0695      1.00000
     11     -19.7146      1.00000
     12     -19.6903      1.00000
     13     -18.9940      1.00000
     14     -18.9882      1.00000
     15     -18.6381      1.00000
     16     -18.6223      1.00000
     17     -18.4601      1.00000
     18     -17.6726      1.00000
     19     -17.6230      1.00000
     20     -17.6202      1.00000
     21     -17.5789      1.00000
     22     -17.1242      1.00000
     23     -17.1027      1.00000
     24     -16.9592      1.00000
     25     -15.9990      1.00000
     26     -15.9271      1.00000
     27     -15.5834      1.00000
     28     -15.5831      1.00000
     29     -15.2848      1.00000
     30     -14.8616      1.00000
     31     -14.8345      1.00000
     32     -14.5767      1.00000
     33     -14.5356      1.00000
     34     -14.1657      1.00000
     35     -14.1526      1.00000
     36     -13.1456      1.00000
     37     -13.0981      1.00000
     38     -13.0280      1.00000
     39     -13.0178      1.00000
     40     -12.7070      1.00000
     41     -12.7029      1.00000
     42     -12.3385      1.00000
     43     -12.3078      1.00000
     44     -11.6333      1.00000
     45     -11.6197      1.00000
     46     -11.5695      1.00000
     47     -10.9465      1.00000
     48     -10.9140      1.00000
     49     -10.6279      1.00000
     50     -10.6224      1.00000
     51     -10.5435      1.00000
     52     -10.4967      1.00000
     53     -10.4964      1.00000
     54     -10.4375      1.00000
     55     -10.3587      1.00000
     56     -10.0963      1.00000
     57      -9.9017      1.00000
     58      -9.6067      1.00000
     59      -9.5550      1.00000
     60      -9.4506      1.00000
     61      -9.4093      1.00000
     62      -9.4021      1.00000
     63      -9.3755      1.00000
     64      -9.3755      1.00000
     65      -9.2843      1.00000
     66      -9.1661      1.00000
     67      -9.1406      1.00000
     68      -9.1119      1.00000
     69      -8.8616      1.00000
     70      -8.8544      1.00000
     71      -8.8132      1.00000
     72      -8.5952      1.00000
     73      -8.4781      1.00000
     74      -8.1964      1.00000
     75      -8.1610      1.00000
     76      -8.0109      1.00000
     77      -7.9546      1.00000
     78      -7.8489      1.00000
     79      -7.8385      1.00000
     80      -7.7040      1.00000
     81      -7.6943      1.00000
     82      -7.6229      1.00000
     83      -7.4428      1.00000
     84      -7.3037      1.00000
     85      -7.2442      1.00000
     86      -6.9036      1.00000
     87      -6.8904      1.00000
     88      -6.5870      1.00000
     89      -6.5483      1.00000
     90      -6.4048      1.00000
     91      -6.2511      1.00000
     92      -6.2302      1.00000
     93      -6.2027      1.00000
     94      -6.0205      1.00000
     95      -5.5468      1.00000
     96      -5.4858      1.00000
     97      -5.3463      1.00000
     98      -5.2182      1.00000
     99      -4.9767      1.00000
    100      -4.7261      1.00000
    101      -4.6746      1.00000
    102      -4.3810      1.00000
    103      -4.1966      1.00000
    104      -3.8620      1.00000
    105      -3.5438      1.00000
    106      -3.5000      1.00000
    107      -2.2562      0.00000
    108      -1.4527      0.00000
    109      -1.3712      0.00000
    110      -1.2410      0.00000
    111      -1.0956      0.00000
    112      -0.9440      0.00000
    113      -0.8627      0.00000
    114      -0.8022      0.00000
    115      -0.1402      0.00000
    116       0.1102      0.00000
    117       0.2418      0.00000
    118       0.3780      0.00000
    119       0.6611      0.00000
    120       0.8360      0.00000
    121       0.9378      0.00000
    122       1.0686      0.00000
    123       1.2444      0.00000
    124       1.4461      0.00000
    125       1.5663      0.00000
    126       1.7679      0.00000
    127       1.7879      0.00000
    128       1.8526      0.00000
    129       1.9865      0.00000
    130       2.0326      0.00000
    131       2.1780      0.00000
    132       2.1900      0.00000
    133       2.3988      0.00000
    134       2.4179      0.00000
    135       2.4896      0.00000
    136       2.6061      0.00000
    137       2.6335      0.00000
    138       2.7078      0.00000
    139       2.7548      0.00000
    140       2.8433      0.00000
    141       2.9611      0.00000
    142       3.0708      0.00000
    143       3.1604      0.00000
    144       3.1937      0.00000
    145       3.2273      0.00000
    146       3.2804      0.00000
    147       3.3119      0.00000
    148       3.4640      0.00000
    149       3.5150      0.00000
    150       3.6991      0.00000
    151       3.7204      0.00000
    152       3.7254      0.00000
    153       3.8664      0.00000
    154       3.8887      0.00000
    155       3.9338      0.00000
    156       3.9623      0.00000
    157       3.9858      0.00000
    158       4.0210      0.00000
    159       4.0262      0.00000
    160       4.0447      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2069      1.00000
      2     -22.1158      1.00000
      3     -21.9548      1.00000
      4     -21.4021      1.00000
      5     -21.0472      1.00000
      6     -21.0119      1.00000
      7     -20.4980      1.00000
      8     -20.4592      1.00000
      9     -20.2928      1.00000
     10     -20.2738      1.00000
     11     -19.9549      1.00000
     12     -19.8900      1.00000
     13     -18.8797      1.00000
     14     -18.8119      1.00000
     15     -18.3501      1.00000
     16     -18.3048      1.00000
     17     -18.1509      1.00000
     18     -18.1339      1.00000
     19     -17.8242      1.00000
     20     -17.7874      1.00000
     21     -17.2497      1.00000
     22     -17.2392      1.00000
     23     -17.1630      1.00000
     24     -17.1307      1.00000
     25     -16.1077      1.00000
     26     -15.8831      1.00000
     27     -15.8680      1.00000
     28     -15.8318      1.00000
     29     -15.2345      1.00000
     30     -14.5526      1.00000
     31     -14.5250      1.00000
     32     -14.2782      1.00000
     33     -13.9618      1.00000
     34     -13.9541      1.00000
     35     -13.8185      1.00000
     36     -13.8022      1.00000
     37     -13.6121      1.00000
     38     -13.5690      1.00000
     39     -13.3677      1.00000
     40     -12.6322      1.00000
     41     -12.1783      1.00000
     42     -12.1312      1.00000
     43     -12.0694      1.00000
     44     -12.0177      1.00000
     45     -11.6675      1.00000
     46     -11.6544      1.00000
     47     -11.1363      1.00000
     48     -11.1162      1.00000
     49     -10.7918      1.00000
     50     -10.7288      1.00000
     51     -10.5213      1.00000
     52     -10.2071      1.00000
     53     -10.2030      1.00000
     54     -10.1630      1.00000
     55     -10.0158      1.00000
     56     -10.0025      1.00000
     57      -9.9884      1.00000
     58      -9.7994      1.00000
     59      -9.7958      1.00000
     60      -9.7603      1.00000
     61      -9.7555      1.00000
     62      -9.4521      1.00000
     63      -9.4141      1.00000
     64      -9.0768      1.00000
     65      -9.0708      1.00000
     66      -9.0393      1.00000
     67      -8.9529      1.00000
     68      -8.8748      1.00000
     69      -8.7101      1.00000
     70      -8.6981      1.00000
     71      -8.5635      1.00000
     72      -8.5406      1.00000
     73      -8.4968      1.00000
     74      -8.4608      1.00000
     75      -8.4518      1.00000
     76      -8.2568      1.00000
     77      -8.1238      1.00000
     78      -8.0408      1.00000
     79      -7.9137      1.00000
     80      -7.8599      1.00000
     81      -7.6147      1.00000
     82      -7.5459      1.00000
     83      -7.4927      1.00000
     84      -7.2580      1.00000
     85      -6.9933      1.00000
     86      -6.9214      1.00000
     87      -6.8804      1.00000
     88      -6.5299      1.00000
     89      -6.4849      1.00000
     90      -6.4586      1.00000
     91      -6.4082      1.00000
     92      -5.9802      1.00000
     93      -5.8947      1.00000
     94      -5.7826      1.00000
     95      -5.7573      1.00000
     96      -5.4272      1.00000
     97      -5.3262      1.00000
     98      -5.2286      1.00000
     99      -5.2156      1.00000
    100      -5.1861      1.00000
    101      -4.6867      1.00000
    102      -4.4136      1.00000
    103      -4.2029      1.00000
    104      -3.8243      1.00000
    105      -3.5191      1.00000
    106      -3.2726      1.00000
    107      -2.5306      0.00000
    108      -1.4541      0.00000
    109      -1.2664      0.00000
    110      -1.2022      0.00000
    111      -1.1714      0.00000
    112      -0.7181      0.00000
    113      -0.5028      0.00000
    114      -0.4114      0.00000
    115      -0.3383      0.00000
    116      -0.1453      0.00000
    117      -0.0018      0.00000
    118       0.1930      0.00000
    119       0.5612      0.00000
    120       0.6136      0.00000
    121       0.8043      0.00000
    122       0.9137      0.00000
    123       1.1410      0.00000
    124       1.5018      0.00000
    125       1.6380      0.00000
    126       1.8641      0.00000
    127       1.9341      0.00000
    128       2.0890      0.00000
    129       2.1132      0.00000
    130       2.1256      0.00000
    131       2.1604      0.00000
    132       2.2811      0.00000
    133       2.3045      0.00000
    134       2.4483      0.00000
    135       2.5734      0.00000
    136       2.6612      0.00000
    137       2.8611      0.00000
    138       2.8724      0.00000
    139       2.9004      0.00000
    140       2.9744      0.00000
    141       3.0054      0.00000
    142       3.1317      0.00000
    143       3.1496      0.00000
    144       3.2083      0.00000
    145       3.2693      0.00000
    146       3.2915      0.00000
    147       3.3085      0.00000
    148       3.3533      0.00000
    149       3.4315      0.00000
    150       3.4473      0.00000
    151       3.5513      0.00000
    152       3.6107      0.00000
    153       3.6552      0.00000
    154       3.6939      0.00000
    155       3.7849      0.00000
    156       3.9023      0.00000
    157       3.9158      0.00000
    158       4.0043      0.00000
    159       4.1470      0.00000
    160       4.2275      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3145      1.00000
      2     -21.9615      1.00000
      3     -21.8905      1.00000
      4     -21.3820      1.00000
      5     -21.3462      1.00000
      6     -20.8368      1.00000
      7     -20.7713      1.00000
      8     -20.6226      1.00000
      9     -20.0870      1.00000
     10     -20.0589      1.00000
     11     -19.7161      1.00000
     12     -19.6876      1.00000
     13     -19.0071      1.00000
     14     -18.9767      1.00000
     15     -18.6474      1.00000
     16     -18.6153      1.00000
     17     -18.4583      1.00000
     18     -17.6578      1.00000
     19     -17.6441      1.00000
     20     -17.6084      1.00000
     21     -17.5759      1.00000
     22     -17.1345      1.00000
     23     -17.0955      1.00000
     24     -16.9641      1.00000
     25     -16.0062      1.00000
     26     -15.9207      1.00000
     27     -15.5963      1.00000
     28     -15.5732      1.00000
     29     -15.2773      1.00000
     30     -14.8741      1.00000
     31     -14.8279      1.00000
     32     -14.5722      1.00000
     33     -14.5346      1.00000
     34     -14.1618      1.00000
     35     -14.1575      1.00000
     36     -13.1598      1.00000
     37     -13.0934      1.00000
     38     -13.0208      1.00000
     39     -13.0161      1.00000
     40     -12.7152      1.00000
     41     -12.6924      1.00000
     42     -12.3383      1.00000
     43     -12.3114      1.00000
     44     -11.6293      1.00000
     45     -11.6202      1.00000
     46     -11.5678      1.00000
     47     -10.9385      1.00000
     48     -10.9205      1.00000
     49     -10.6628      1.00000
     50     -10.5881      1.00000
     51     -10.5703      1.00000
     52     -10.4991      1.00000
     53     -10.4858      1.00000
     54     -10.4370      1.00000
     55     -10.3535      1.00000
     56     -10.1005      1.00000
     57      -9.8960      1.00000
     58      -9.6056      1.00000
     59      -9.5489      1.00000
     60      -9.4509      1.00000
     61      -9.4164      1.00000
     62      -9.4065      1.00000
     63      -9.3778      1.00000
     64      -9.3695      1.00000
     65      -9.2651      1.00000
     66      -9.1628      1.00000
     67      -9.1391      1.00000
     68      -9.1136      1.00000
     69      -8.8638      1.00000
     70      -8.8581      1.00000
     71      -8.8001      1.00000
     72      -8.5941      1.00000
     73      -8.5229      1.00000
     74      -8.1911      1.00000
     75      -8.1684      1.00000
     76      -8.0767      1.00000
     77      -7.8560      1.00000
     78      -7.8345      1.00000
     79      -7.8181      1.00000
     80      -7.7082      1.00000
     81      -7.6941      1.00000
     82      -7.5997      1.00000
     83      -7.5213      1.00000
     84      -7.3498      1.00000
     85      -7.1622      1.00000
     86      -6.9032      1.00000
     87      -6.8934      1.00000
     88      -6.5912      1.00000
     89      -6.5487      1.00000
     90      -6.4035      1.00000
     91      -6.3000      1.00000
     92      -6.2457      1.00000
     93      -6.1990      1.00000
     94      -6.0010      1.00000
     95      -5.5281      1.00000
     96      -5.4629      1.00000
     97      -5.3105      1.00000
     98      -5.2076      1.00000
     99      -5.0421      1.00000
    100      -4.7194      1.00000
    101      -4.6679      1.00000
    102      -4.4156      1.00000
    103      -4.1890      1.00000
    104      -3.8336      1.00000
    105      -3.6288      1.00000
    106      -3.4112      1.00000
    107      -2.2907      0.00000
    108      -1.5061      0.00000
    109      -1.2690      0.00000
    110      -1.2619      0.00000
    111      -1.0326      0.00000
    112      -0.9776      0.00000
    113      -0.8672      0.00000
    114      -0.7988      0.00000
    115      -0.2613      0.00000
    116       0.2051      0.00000
    117       0.2403      0.00000
    118       0.3599      0.00000
    119       0.6983      0.00000
    120       0.8953      0.00000
    121       0.9253      0.00000
    122       1.0461      0.00000
    123       1.1722      0.00000
    124       1.5138      0.00000
    125       1.5724      0.00000
    126       1.7101      0.00000
    127       1.7800      0.00000
    128       1.8238      0.00000
    129       1.9455      0.00000
    130       2.0005      0.00000
    131       2.1649      0.00000
    132       2.2736      0.00000
    133       2.4030      0.00000
    134       2.4281      0.00000
    135       2.4849      0.00000
    136       2.6028      0.00000
    137       2.6199      0.00000
    138       2.7116      0.00000
    139       2.7351      0.00000
    140       2.8667      0.00000
    141       3.0456      0.00000
    142       3.0707      0.00000
    143       3.1612      0.00000
    144       3.2057      0.00000
    145       3.2201      0.00000
    146       3.2798      0.00000
    147       3.3254      0.00000
    148       3.4515      0.00000
    149       3.5332      0.00000
    150       3.7007      0.00000
    151       3.7207      0.00000
    152       3.7480      0.00000
    153       3.8293      0.00000
    154       3.8691      0.00000
    155       3.9265      0.00000
    156       3.9676      0.00000
    157       3.9817      0.00000
    158       4.0128      0.00000
    159       4.0165      0.00000
    160       4.0779      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3869      1.00000
      2     -21.8279      1.00000
      3     -21.6389      1.00000
      4     -21.6046      1.00000
      5     -21.2760      1.00000
      6     -21.2300      1.00000
      7     -21.0544      1.00000
      8     -20.1685      1.00000
      9     -20.1234      1.00000
     10     -19.6144      1.00000
     11     -19.5889      1.00000
     12     -19.4132      1.00000
     13     -19.0919      1.00000
     14     -19.0536      1.00000
     15     -19.0500      1.00000
     16     -19.0364      1.00000
     17     -18.3644      1.00000
     18     -18.3451      1.00000
     19     -18.0141      1.00000
     20     -17.0688      1.00000
     21     -17.0213      1.00000
     22     -16.9475      1.00000
     23     -16.9340      1.00000
     24     -16.4727      1.00000
     25     -16.4612      1.00000
     26     -15.6072      1.00000
     27     -15.6066      1.00000
     28     -15.2471      1.00000
     29     -15.2352      1.00000
     30     -15.1884      1.00000
     31     -15.0996      1.00000
     32     -15.0659      1.00000
     33     -14.6961      1.00000
     34     -14.6952      1.00000
     35     -13.7226      1.00000
     36     -13.7226      1.00000
     37     -13.2325      1.00000
     38     -12.6217      1.00000
     39     -12.5775      1.00000
     40     -12.4522      1.00000
     41     -12.4468      1.00000
     42     -12.1026      1.00000
     43     -12.0977      1.00000
     44     -11.7192      1.00000
     45     -11.6814      1.00000
     46     -11.2433      1.00000
     47     -11.2223      1.00000
     48     -11.0148      1.00000
     49     -11.0033      1.00000
     50     -10.9252      1.00000
     51     -10.8971      1.00000
     52     -10.6310      1.00000
     53     -10.1698      1.00000
     54     -10.1470      1.00000
     55     -10.0825      1.00000
     56      -9.9870      1.00000
     57      -9.6932      1.00000
     58      -9.6865      1.00000
     59      -9.6689      1.00000
     60      -9.5901      1.00000
     61      -9.5664      1.00000
     62      -9.5505      1.00000
     63      -9.3099      1.00000
     64      -9.2974      1.00000
     65      -9.2796      1.00000
     66      -9.2415      1.00000
     67      -9.1201      1.00000
     68      -9.1096      1.00000
     69      -9.1086      1.00000
     70      -8.9374      1.00000
     71      -8.8738      1.00000
     72      -8.6020      1.00000
     73      -8.5849      1.00000
     74      -8.2701      1.00000
     75      -8.0983      1.00000
     76      -7.8661      1.00000
     77      -7.8416      1.00000
     78      -7.7886      1.00000
     79      -7.7628      1.00000
     80      -7.7526      1.00000
     81      -7.4357      1.00000
     82      -7.3326      1.00000
     83      -7.3199      1.00000
     84      -7.2636      1.00000
     85      -7.1646      1.00000
     86      -7.0134      1.00000
     87      -6.9834      1.00000
     88      -6.7152      1.00000
     89      -6.6904      1.00000
     90      -6.6294      1.00000
     91      -6.5873      1.00000
     92      -6.1148      1.00000
     93      -6.0568      1.00000
     94      -6.0425      1.00000
     95      -6.0265      1.00000
     96      -5.7454      1.00000
     97      -4.9663      1.00000
     98      -4.8356      1.00000
     99      -4.7064      1.00000
    100      -4.6714      1.00000
    101      -4.4761      1.00000
    102      -4.3440      1.00000
    103      -4.1094      1.00000
    104      -4.0525      1.00000
    105      -3.7479      1.00000
    106      -3.4570      1.00000
    107      -1.9473      0.00000
    108      -1.7699      0.00000
    109      -1.4793      0.00000
    110      -1.3540      0.00000
    111      -1.3361      0.00000
    112      -1.2909      0.00000
    113      -0.6781      0.00000
    114      -0.4701      0.00000
    115      -0.2341      0.00000
    116       0.0505      0.00000
    117       0.5963      0.00000
    118       0.6941      0.00000
    119       0.7695      0.00000
    120       1.0206      0.00000
    121       1.0985      0.00000
    122       1.1774      0.00000
    123       1.2518      0.00000
    124       1.3427      0.00000
    125       1.4452      0.00000
    126       1.6047      0.00000
    127       1.7370      0.00000
    128       1.8480      0.00000
    129       1.8563      0.00000
    130       1.8931      0.00000
    131       2.0335      0.00000
    132       2.2242      0.00000
    133       2.2481      0.00000
    134       2.2975      0.00000
    135       2.4784      0.00000
    136       2.5782      0.00000
    137       2.6328      0.00000
    138       2.7588      0.00000
    139       2.7692      0.00000
    140       2.8157      0.00000
    141       2.8388      0.00000
    142       2.8454      0.00000
    143       2.9141      0.00000
    144       3.1018      0.00000
    145       3.2966      0.00000
    146       3.3259      0.00000
    147       3.3633      0.00000
    148       3.3957      0.00000
    149       3.4048      0.00000
    150       3.5617      0.00000
    151       3.6026      0.00000
    152       3.6525      0.00000
    153       3.7265      0.00000
    154       3.8905      0.00000
    155       3.9219      0.00000
    156       3.9387      0.00000
    157       4.1022      0.00000
    158       4.1944      0.00000
    159       4.2240      0.00000
    160       4.2745      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2060      1.00000
      2     -22.1172      1.00000
      3     -21.9545      1.00000
      4     -21.4023      1.00000
      5     -21.0435      1.00000
      6     -21.0155      1.00000
      7     -20.4932      1.00000
      8     -20.4639      1.00000
      9     -20.2840      1.00000
     10     -20.2818      1.00000
     11     -19.9539      1.00000
     12     -19.8919      1.00000
     13     -18.8806      1.00000
     14     -18.8142      1.00000
     15     -18.3350      1.00000
     16     -18.3158      1.00000
     17     -18.1469      1.00000
     18     -18.1393      1.00000
     19     -17.8133      1.00000
     20     -17.7950      1.00000
     21     -17.2558      1.00000
     22     -17.2364      1.00000
     23     -17.1573      1.00000
     24     -17.1337      1.00000
     25     -16.1140      1.00000
     26     -15.8781      1.00000
     27     -15.8671      1.00000
     28     -15.8385      1.00000
     29     -15.2282      1.00000
     30     -14.5486      1.00000
     31     -14.5305      1.00000
     32     -14.2730      1.00000
     33     -13.9722      1.00000
     34     -13.9489      1.00000
     35     -13.8219      1.00000
     36     -13.8005      1.00000
     37     -13.6016      1.00000
     38     -13.5763      1.00000
     39     -13.3678      1.00000
     40     -12.6362      1.00000
     41     -12.1664      1.00000
     42     -12.1402      1.00000
     43     -12.0654      1.00000
     44     -12.0193      1.00000
     45     -11.6620      1.00000
     46     -11.6574      1.00000
     47     -11.1344      1.00000
     48     -11.1237      1.00000
     49     -10.7880      1.00000
     50     -10.7327      1.00000
     51     -10.5283      1.00000
     52     -10.2053      1.00000
     53     -10.1994      1.00000
     54     -10.1686      1.00000
     55     -10.0196      1.00000
     56      -9.9921      1.00000
     57      -9.9877      1.00000
     58      -9.8031      1.00000
     59      -9.7932      1.00000
     60      -9.7625      1.00000
     61      -9.7548      1.00000
     62      -9.4527      1.00000
     63      -9.4142      1.00000
     64      -9.0819      1.00000
     65      -9.0435      1.00000
     66      -9.0234      1.00000
     67      -8.9672      1.00000
     68      -8.8944      1.00000
     69      -8.7054      1.00000
     70      -8.6963      1.00000
     71      -8.5583      1.00000
     72      -8.5475      1.00000
     73      -8.4769      1.00000
     74      -8.4573      1.00000
     75      -8.4541      1.00000
     76      -8.3028      1.00000
     77      -8.0915      1.00000
     78      -8.0888      1.00000
     79      -7.9249      1.00000
     80      -7.8310      1.00000
     81      -7.5987      1.00000
     82      -7.5349      1.00000
     83      -7.4507      1.00000
     84      -7.2989      1.00000
     85      -6.9903      1.00000
     86      -6.9174      1.00000
     87      -6.8798      1.00000
     88      -6.5260      1.00000
     89      -6.5131      1.00000
     90      -6.4789      1.00000
     91      -6.4190      1.00000
     92      -5.9231      1.00000
     93      -5.9021      1.00000
     94      -5.7869      1.00000
     95      -5.7722      1.00000
     96      -5.3656      1.00000
     97      -5.3587      1.00000
     98      -5.2179      1.00000
     99      -5.2138      1.00000
    100      -5.1965      1.00000
    101      -4.7155      1.00000
    102      -4.4329      1.00000
    103      -4.1853      1.00000
    104      -3.8104      1.00000
    105      -3.5562      1.00000
    106      -3.2208      1.00000
    107      -2.5604      0.00000
    108      -1.4592      0.00000
    109      -1.2673      0.00000
    110      -1.1840      0.00000
    111      -1.1827      0.00000
    112      -0.6433      0.00000
    113      -0.5517      0.00000
    114      -0.4139      0.00000
    115      -0.3465      0.00000
    116      -0.0773      0.00000
    117      -0.0630      0.00000
    118       0.1264      0.00000
    119       0.5941      0.00000
    120       0.6280      0.00000
    121       0.8623      0.00000
    122       0.9958      0.00000
    123       1.0084      0.00000
    124       1.4963      0.00000
    125       1.6861      0.00000
    126       1.7850      0.00000
    127       1.8684      0.00000
    128       2.0845      0.00000
    129       2.1188      0.00000
    130       2.1692      0.00000
    131       2.2121      0.00000
    132       2.2483      0.00000
    133       2.3241      0.00000
    134       2.4798      0.00000
    135       2.5039      0.00000
    136       2.6703      0.00000
    137       2.8542      0.00000
    138       2.8624      0.00000
    139       2.9576      0.00000
    140       2.9606      0.00000
    141       3.0204      0.00000
    142       3.1428      0.00000
    143       3.1456      0.00000
    144       3.2228      0.00000
    145       3.2520      0.00000
    146       3.2815      0.00000
    147       3.3119      0.00000
    148       3.3630      0.00000
    149       3.4205      0.00000
    150       3.5530      0.00000
    151       3.5681      0.00000
    152       3.6428      0.00000
    153       3.6438      0.00000
    154       3.6653      0.00000
    155       3.6978      0.00000
    156       3.9074      0.00000
    157       3.9321      0.00000
    158       4.0380      0.00000
    159       4.0920      0.00000
    160       4.1934      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2802      1.00000
      2     -22.0763      1.00000
      3     -21.7176      1.00000
      4     -21.6792      1.00000
      5     -20.9799      1.00000
      6     -20.9331      1.00000
      7     -20.6084      1.00000
      8     -20.5769      1.00000
      9     -20.5637      1.00000
     10     -20.0298      1.00000
     11     -19.5106      1.00000
     12     -19.4814      1.00000
     13     -19.3093      1.00000
     14     -19.2965      1.00000
     15     -18.4466      1.00000
     16     -18.4043      1.00000
     17     -17.9251      1.00000
     18     -17.9053      1.00000
     19     -17.7628      1.00000
     20     -17.7187      1.00000
     21     -17.4393      1.00000
     22     -17.4213      1.00000
     23     -17.3354      1.00000
     24     -16.4689      1.00000
     25     -16.4589      1.00000
     26     -15.9678      1.00000
     27     -15.4086      1.00000
     28     -15.4078      1.00000
     29     -15.0937      1.00000
     30     -15.0906      1.00000
     31     -14.8502      1.00000
     32     -14.8383      1.00000
     33     -14.2953      1.00000
     34     -14.2515      1.00000
     35     -13.4418      1.00000
     36     -13.3978      1.00000
     37     -13.1727      1.00000
     38     -13.1713      1.00000
     39     -12.9830      1.00000
     40     -12.9742      1.00000
     41     -12.6083      1.00000
     42     -12.6062      1.00000
     43     -12.1939      1.00000
     44     -11.5770      1.00000
     45     -11.5367      1.00000
     46     -11.3111      1.00000
     47     -11.2814      1.00000
     48     -11.1390      1.00000
     49     -10.6890      1.00000
     50     -10.6606      1.00000
     51     -10.5420      1.00000
     52     -10.3192      1.00000
     53     -10.3119      1.00000
     54     -10.1731      1.00000
     55     -10.1189      1.00000
     56     -10.1065      1.00000
     57      -9.8087      1.00000
     58      -9.7494      1.00000
     59      -9.7490      1.00000
     60      -9.6998      1.00000
     61      -9.6961      1.00000
     62      -9.6445      1.00000
     63      -9.3499      1.00000
     64      -9.3487      1.00000
     65      -9.3164      1.00000
     66      -9.0252      1.00000
     67      -8.9585      1.00000
     68      -8.9548      1.00000
     69      -8.7734      1.00000
     70      -8.5902      1.00000
     71      -8.5837      1.00000
     72      -8.4205      1.00000
     73      -8.3474      1.00000
     74      -8.3193      1.00000
     75      -8.3002      1.00000
     76      -8.2634      1.00000
     77      -8.2524      1.00000
     78      -8.2375      1.00000
     79      -7.9234      1.00000
     80      -7.7339      1.00000
     81      -7.3771      1.00000
     82      -7.3468      1.00000
     83      -7.3094      1.00000
     84      -7.2147      1.00000
     85      -7.1574      1.00000
     86      -7.0665      1.00000
     87      -6.9586      1.00000
     88      -6.9056      1.00000
     89      -6.6119      1.00000
     90      -6.5539      1.00000
     91      -6.2695      1.00000
     92      -5.9929      1.00000
     93      -5.9569      1.00000
     94      -5.6723      1.00000
     95      -5.6457      1.00000
     96      -5.3832      1.00000
     97      -5.3121      1.00000
     98      -5.2909      1.00000
     99      -5.2100      1.00000
    100      -5.1985      1.00000
    101      -4.5010      1.00000
    102      -4.3298      1.00000
    103      -3.9934      1.00000
    104      -3.8829      1.00000
    105      -3.7857      1.00000
    106      -3.4359      1.00000
    107      -2.0312      0.00000
    108      -1.8621      0.00000
    109      -1.2153      0.00000
    110      -1.1839      0.00000
    111      -1.0345      0.00000
    112      -0.7710      0.00000
    113      -0.6783      0.00000
    114      -0.6583      0.00000
    115      -0.6081      0.00000
    116      -0.1030      0.00000
    117       0.2242      0.00000
    118       0.2394      0.00000
    119       0.7789      0.00000
    120       0.9915      0.00000
    121       1.0765      0.00000
    122       1.2434      0.00000
    123       1.2532      0.00000
    124       1.3444      0.00000
    125       1.5822      0.00000
    126       1.5869      0.00000
    127       1.7160      0.00000
    128       1.7840      0.00000
    129       1.9566      0.00000
    130       1.9764      0.00000
    131       2.0358      0.00000
    132       2.2490      0.00000
    133       2.3426      0.00000
    134       2.4299      0.00000
    135       2.5450      0.00000
    136       2.6291      0.00000
    137       2.7116      0.00000
    138       2.7745      0.00000
    139       2.8486      0.00000
    140       2.8533      0.00000
    141       3.0183      0.00000
    142       3.1095      0.00000
    143       3.1655      0.00000
    144       3.2148      0.00000
    145       3.3735      0.00000
    146       3.4159      0.00000
    147       3.4955      0.00000
    148       3.5291      0.00000
    149       3.5928      0.00000
    150       3.5964      0.00000
    151       3.6431      0.00000
    152       3.7375      0.00000
    153       3.7395      0.00000
    154       3.7547      0.00000
    155       3.7617      0.00000
    156       3.8727      0.00000
    157       4.0182      0.00000
    158       4.0935      0.00000
    159       4.1727      0.00000
    160       4.2133      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0416   -7.3915    4.1999   -1.2762   -0.2386   17.5967    0.1446   -0.5291    0.6315   -0.4638
x    -3.0928   -0.0373   -0.0631    0.0619   -0.0097   -2.9772   -0.0110   -0.0069    0.0048    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0416    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0088    0.0379    0.0382
y    -0.0453   -3.2456   -0.5413   -0.1636   -1.1861   -0.6059
z   204.0416    1.1000   -0.3113    0.0495    0.0197    0.0866   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1128    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8113
z    -0.2193    0.2315   -0.0550    0.0616   -0.0900    0.0008
 total charge-density along one line
x   212.0000  -10.2224    6.1484   -2.0863   -0.4744   19.5135   -0.9991    0.4784   -0.0479   -0.1244
x    -2.6462   -0.0276   -0.0609    0.0847   -0.0538   -2.2243   -0.0252   -0.0024    0.0051    0.0021
x    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2224    6.1484   -2.0863   -0.4744   19.5135   -0.9991    0.4784   -0.0479   -0.1244
y    -2.6462   -0.0276   -0.0609    0.0847   -0.0538   -2.2243   -0.0252   -0.0024    0.0051    0.0021
y    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3250  188.9021 -170.1620  154.0802 -140.5350  126.8413 -111.4668   95.1161  -79.3113
z    64.9307  -52.1301   41.0251  -31.9522   25.0751  -20.0043   15.9719  -12.3728    9.0954   -6.3679
z     4.3658   -2.9983    2.0128   -1.2208    0.5910   -0.1602   -0.0891    0.2447   -0.3842    0.5108
z    -0.5763    0.5533   -0.4732    0.3956   -0.3539    0.3356   -0.3104    0.2654   -0.2127    0.1706
z    -0.1440    0.1248   -0.1046    0.0830   -0.0653    0.0546   -0.0485    0.0427   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0002   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.001   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.001   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.269   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.627   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.077   0.000  -0.131   0.000  -0.033  -0.278   0.081   0.000  -0.093   0.000   0.000
  0.000   0.269   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.587  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.627   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.278   0.000   0.587   0.000   0.163   1.366  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.081   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.030   8.932
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.784   0.000   2.647
 50        0.864   1.783   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.423   8.030 142.320
 


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


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


    CHARGE:  VPU time   90.68: CPU time   45.73
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  363.38: CPU time  182.11
    STRESS:  VPU time 1093.38: CPU time  549.45
    FORCOR:  VPU time    7.38: CPU time    7.38
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force =-0.4599393E-07[-0.248E-05, 0.239E-05]  d Energy = 0.8753859E-05-0.880E-05
 d Force = 0.1166126E+00[ 0.117E+00, 0.117E+00]  d Ewald  = 0.4928664E+01-0.481E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726685 eV

  energy  without entropy=     -471.726685  energy(sigma->0) =     -471.726685
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40818.73  40776.84 -47516.37    -36.28      0.00      0.00
  Hartree  40243.75  40227.55 -39501.74    -14.03      0.00      0.00
  E(xc)     -779.43   -779.72   -807.37     -0.25      0.00      0.00
  Local   -83346.52 -83297.38  84332.90     42.56      0.00      0.00
  n-local   -216.84   -215.70   -203.52      0.72      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.45   3176.01   3583.76      3.39      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.13     -0.16     -0.58     -0.03      0.00      0.00
  in kB       -0.08     -0.10     -0.35     -0.02      0.00      0.00
  external pressure =       -0.18 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345500810  0.001154278  0.000000000     0.080996798  0.046753494  0.000000000
    -6.171757412 10.692090453  0.000000000    -0.000008744  0.093522033  0.000000000
     0.000000000  0.000000000 19.984357627     0.000000000  0.000000000  0.050039137

  length of vectors
    12.345500864 12.345500711 19.984357627     0.093522032  0.093522033  0.050039137


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.377E-05 -.492E-04 -.951E+03   0.420E-05 -.275E-04 0.959E+03   0.849E-21 -.254E-20 -.868E+01   -.701E-07 0.405E-07 -.847E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.194E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   -.116E-03 0.660E-04 -.115E-02
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.194E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   0.116E-03 -.660E-04 -.115E-02
   -.203E+01 0.117E+01 0.137E+02   0.202E+01 -.117E+01 -.137E+02   -.544E-02 0.314E-02 -.325E-01   -.107E-03 0.585E-04 -.947E-03
   0.622E+01 0.680E+01 0.165E+02   -.623E+01 -.681E+01 -.165E+02   -.249E-02 0.238E-01 -.365E-01   -.422E-05 -.356E-03 -.407E-03
   0.111E+02 0.508E+01 0.165E+02   -.111E+02 -.509E+01 -.165E+02   0.211E-01 0.639E-02 -.502E-01   -.974E-03 0.193E-03 0.902E-03
   0.468E+01 -.888E+00 0.153E+02   -.470E+01 0.897E+00 -.153E+02   0.141E-01 -.780E-02 -.105E-01   -.279E-03 0.390E-05 0.144E-02
   -.305E+01 -.254E+01 0.138E+02   0.305E+01 0.254E+01 -.137E+02   0.142E-02 0.390E-02 -.416E-02   -.336E-03 -.232E-03 0.738E-03
   0.678E+00 0.391E+01 0.138E+02   -.680E+00 -.391E+01 -.137E+02   -.266E-02 -.318E-02 -.416E-02   0.271E-04 0.400E-03 0.735E-03
   0.245E+01 0.188E+02 0.225E+02   -.245E+01 -.189E+02 -.224E+02   0.131E-02 0.996E-01 -.483E-01   -.380E-03 0.638E-03 0.527E-03
   0.225E+02 0.213E+02 0.405E+02   -.226E+02 -.216E+02 -.404E+02   0.820E-01 0.255E+00 -.666E-01   -.160E-02 0.224E-03 0.901E-04
   0.265E+02 -.343E+01 0.259E+02   -.268E+02 0.354E+01 -.258E+02   0.265E+00 -.107E+00 -.439E-01   -.641E-03 -.233E-04 0.214E-03
   0.905E+01 -.523E+01 0.156E+02   -.910E+01 0.525E+01 -.156E+02   0.436E-01 -.251E-01 -.152E-01   -.647E-03 0.367E-03 0.647E-03
   0.311E+01 -.361E+01 0.153E+02   -.313E+01 0.362E+01 -.153E+02   0.138E-01 -.830E-02 -.105E-01   -.145E-03 0.235E-03 0.144E-02
   -.587E+01 0.135E+02 0.178E+02   0.587E+01 -.136E+02 -.177E+02   -.149E-02 0.712E-01 -.393E-01   -.131E-03 -.187E-03 0.671E-03
   -.118E+02 0.358E+02 0.467E+02   0.118E+02 -.364E+02 -.469E+02   -.274E-01 0.604E+00 0.297E+00   -.434E-03 -.795E-03 0.808E-03
   0.235E+02 -.135E+02 0.912E+02   -.241E+02 0.139E+02 -.932E+02   0.630E+00 -.364E+00 0.202E+01   -.317E-03 0.180E-03 0.148E-02
   0.162E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.258E+02   0.225E+00 -.175E+00 -.439E-01   -.303E-03 0.559E-03 0.209E-03
   0.116E+01 -.122E+02 0.165E+02   -.116E+01 0.122E+02 -.165E+02   0.499E-02 -.214E-01 -.502E-01   -.651E-03 0.745E-03 0.897E-03
   -.409E+01 0.189E+01 0.140E+02   0.409E+01 -.190E+01 -.140E+02   -.107E-02 0.962E-02 -.366E-01   0.494E-04 0.118E-03 0.135E-02
   -.191E+02 0.110E+02 0.227E+02   0.191E+02 -.110E+02 -.227E+02   -.511E-01 0.295E-01 -.386E-01   -.243E-04 0.177E-04 -.408E-03
   -.369E+02 -.771E+01 0.467E+02   0.375E+02 0.798E+01 -.469E+02   -.537E+00 -.278E+00 0.297E+00   0.474E-03 0.772E-03 0.810E-03
   -.723E+01 -.301E+02 0.405E+02   0.742E+01 0.303E+02 -.404E+02   -.180E+00 -.199E+00 -.666E-01   -.992E-03 0.127E-02 0.884E-04
   -.278E+01 -.878E+01 0.165E+02   0.278E+01 0.880E+01 -.165E+02   -.219E-01 -.976E-02 -.365E-01   0.308E-03 0.180E-03 -.408E-03
   0.142E+01 -.820E+00 0.131E+02   -.143E+01 0.824E+00 -.131E+02   0.438E-05 -.253E-05 -.273E-01   0.924E-04 -.513E-04 -.331E-03
   -.368E+01 0.260E+01 0.140E+02   0.369E+01 -.259E+01 -.140E+02   -.886E-02 -.388E-02 -.366E-01   -.758E-04 -.971E-04 0.135E-02
   -.146E+02 -.166E+01 0.178E+02   0.147E+02 0.169E+01 -.177E+02   -.624E-01 -.343E-01 -.393E-01   0.986E-04 0.206E-03 0.677E-03
   -.151E+02 -.115E+02 0.225E+02   0.152E+02 0.116E+02 -.224E+02   -.856E-01 -.509E-01 -.483E-01   -.741E-03 0.496E-05 0.529E-03
   0.278E+01 0.878E+01 0.165E+02   -.278E+01 -.880E+01 -.165E+02   0.219E-01 0.976E-02 -.365E-01   -.308E-03 -.180E-03 -.408E-03
   0.151E+02 0.115E+02 0.225E+02   -.152E+02 -.116E+02 -.224E+02   0.856E-01 0.509E-01 -.483E-01   0.741E-03 -.491E-05 0.529E-03
   0.146E+02 0.166E+01 0.178E+02   -.147E+02 -.169E+01 -.177E+02   0.624E-01 0.343E-01 -.393E-01   -.985E-04 -.206E-03 0.677E-03
   0.368E+01 -.260E+01 0.140E+02   -.369E+01 0.259E+01 -.140E+02   0.886E-02 0.388E-02 -.366E-01   0.758E-04 0.971E-04 0.135E-02
   -.142E+01 0.820E+00 0.131E+02   0.143E+01 -.824E+00 -.131E+02   -.438E-05 0.253E-05 -.273E-01   -.924E-04 0.513E-04 -.331E-03
   -.116E+01 0.122E+02 0.165E+02   0.116E+01 -.122E+02 -.165E+02   -.499E-02 0.214E-01 -.502E-01   0.651E-03 -.745E-03 0.897E-03
   0.723E+01 0.301E+02 0.405E+02   -.742E+01 -.303E+02 -.404E+02   0.180E+00 0.199E+00 -.666E-01   0.991E-03 -.127E-02 0.884E-04
   0.369E+02 0.771E+01 0.467E+02   -.375E+02 -.798E+01 -.469E+02   0.537E+00 0.278E+00 0.297E+00   -.475E-03 -.772E-03 0.810E-03
   0.191E+02 -.110E+02 0.227E+02   -.191E+02 0.110E+02 -.227E+02   0.511E-01 -.295E-01 -.386E-01   0.244E-04 -.178E-04 -.408E-03
   0.409E+01 -.189E+01 0.140E+02   -.409E+01 0.190E+01 -.140E+02   0.107E-02 -.962E-02 -.366E-01   -.493E-04 -.118E-03 0.135E-02
   -.311E+01 0.361E+01 0.153E+02   0.313E+01 -.362E+01 -.153E+02   -.138E-01 0.830E-02 -.105E-01   0.145E-03 -.235E-03 0.144E-02
   -.162E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.258E+02   -.225E+00 0.175E+00 -.439E-01   0.303E-03 -.559E-03 0.209E-03
   -.235E+02 0.135E+02 0.912E+02   0.241E+02 -.139E+02 -.932E+02   -.630E+00 0.364E+00 0.202E+01   0.317E-03 -.180E-03 0.148E-02
   0.118E+02 -.358E+02 0.467E+02   -.118E+02 0.364E+02 -.469E+02   0.274E-01 -.604E+00 0.297E+00   0.434E-03 0.795E-03 0.808E-03
   0.587E+01 -.135E+02 0.178E+02   -.587E+01 0.136E+02 -.177E+02   0.149E-02 -.712E-01 -.393E-01   0.131E-03 0.187E-03 0.671E-03
   -.678E+00 -.391E+01 0.138E+02   0.680E+00 0.391E+01 -.137E+02   0.266E-02 0.318E-02 -.416E-02   -.271E-04 -.400E-03 0.735E-03
   -.905E+01 0.523E+01 0.156E+02   0.910E+01 -.525E+01 -.156E+02   -.436E-01 0.251E-01 -.152E-01   0.647E-03 -.367E-03 0.647E-03
   -.265E+02 0.343E+01 0.259E+02   0.268E+02 -.354E+01 -.258E+02   -.265E+00 0.107E+00 -.439E-01   0.641E-03 0.233E-04 0.214E-03
   -.225E+02 -.213E+02 0.405E+02   0.226E+02 0.216E+02 -.404E+02   -.820E-01 -.255E+00 -.666E-01   0.160E-02 -.224E-03 0.901E-04
   -.245E+01 -.188E+02 0.225E+02   0.245E+01 0.189E+02 -.224E+02   -.131E-02 -.996E-01 -.483E-01   0.380E-03 -.638E-03 0.527E-03
   0.203E+01 -.117E+01 0.137E+02   -.202E+01 0.117E+01 -.137E+02   0.544E-02 -.314E-02 -.325E-01   0.107E-03 -.585E-04 -.947E-03
   0.305E+01 0.254E+01 0.138E+02   -.305E+01 -.254E+01 -.137E+02   -.142E-02 -.390E-02 -.416E-02   0.336E-03 0.232E-03 0.738E-03
   -.468E+01 0.888E+00 0.153E+02   0.470E+01 -.897E+00 -.153E+02   -.141E-01 0.780E-02 -.105E-01   0.279E-03 -.390E-05 0.144E-02
   -.111E+02 -.508E+01 0.165E+02   0.111E+02 0.509E+01 -.165E+02   -.211E-01 -.639E-02 -.502E-01   0.974E-03 -.193E-03 0.902E-03
   -.622E+01 -.680E+01 0.165E+02   0.623E+01 0.681E+01 -.165E+02   0.249E-02 -.238E-01 -.365E-01   0.422E-05 0.356E-03 -.407E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.298E-03 0.101E+02   0.111E-12 0.103E-12 -.533E-13   -.324E-15 -.212E-15 -.101E+02   -.653E-07 0.385E-07 0.154E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85239      6.05935     12.33812         0.000000      0.000000      0.014091
      1.07820      6.50633     13.60073         0.004423     -0.002554     -0.012642
      2.62658      5.61237     13.60073        -0.004423      0.002554     -0.012642
      0.00013     -0.00008      9.97891        -0.006928      0.004000     -0.008621
     -1.23455      2.13686      9.97934        -0.010957      0.008195     -0.005341
     -2.46985      4.27667      9.98543         0.003573     -0.002897      0.002838
     -3.70351      6.41538      9.98281        -0.003737      0.001183      0.006388
     -4.93732      8.55362      9.98035         0.000299      0.005034      0.003416
      2.46918      0.00018      9.98035        -0.004210     -0.002776      0.003416
      1.23396      2.13701      9.98376         0.001966     -0.006136     -0.003370
     -0.00259      4.27133      9.99707         0.011314     -0.007972     -0.003036
     -1.23814      6.41609     10.00897        -0.001251      0.001096     -0.004777
     -2.46876      8.55417      9.98656         0.000427     -0.000247      0.000657
      4.93786      0.00079      9.98281        -0.002893      0.002644      0.006388
      3.70434      2.13699      9.99119        -0.001014      0.001865      0.003603
      2.47016      4.26880     10.03051         0.003781      0.002510      0.000710
      1.22937      6.41905     10.04056        -0.001818      0.001050      0.008027
     -0.00182      8.55745     10.00897        -0.001575      0.000536     -0.004777
      7.40687      0.00177      9.98543         0.004295     -0.001646      0.002838
      6.17277      2.13913      9.98255        -0.003107     -0.000077      0.004991
      4.93934      4.27710     10.00055        -0.001525      0.000880     -0.002117
      3.71194      6.41963     10.03051        -0.000283     -0.004529      0.000710
      2.47337      8.55982      9.99707         0.012561     -0.005812     -0.003036
      9.87765      0.00188      9.97934        -0.012576      0.005392     -0.005341
      8.64204      2.13935      9.97913        -0.005996      0.003462     -0.003194
      7.40759      4.27791      9.98255        -0.001487      0.002730      0.004991
      6.17523      6.41670      9.99119        -0.002123     -0.000054      0.003603
      4.94002      8.55610      9.98376         0.006297      0.001365     -0.003370
     -0.00111      1.42474      9.97934         0.012576     -0.005392     -0.005341
     -1.23525      3.56260      9.98376        -0.006297     -0.001365     -0.003370
     -2.47045      5.70201      9.99119         0.002123      0.000054      0.003603
     -3.70282      7.84079      9.98255         0.001487     -0.002730      0.004991
     -4.93726      9.97935      9.97913         0.005996     -0.003462     -0.003194
      2.46967      1.42484      9.98543        -0.004295      0.001646      0.002838
      1.23141      3.55889      9.99707        -0.012561      0.005812     -0.003036
     -0.00716      5.69908     10.03051         0.000283      0.004529      0.000710
     -1.23456      7.84160     10.00055         0.001525     -0.000880     -0.002117
     -2.46799      9.97958      9.98255         0.003107      0.000077      0.004991
      4.93867      1.42582      9.98281         0.002893     -0.002644      0.006388
      3.70660      3.56125     10.00897         0.001575     -0.000536     -0.004777
      2.47541      5.69965     10.04056         0.001818     -0.001050      0.008027
      1.23462      7.84991     10.03051        -0.003781     -0.002510      0.000710
      0.00044      9.98171      9.99119         0.001014     -0.001865      0.003603
      7.40735      1.42643      9.98035         0.004210      0.002776      0.003416
      6.17354      3.56454      9.98656        -0.000427      0.000247      0.000657
      4.94291      5.70261     10.00897         0.001251     -0.001096     -0.004777
      3.70736      7.84737      9.99707        -0.011314      0.007972     -0.003036
      2.47081      9.98170      9.98376        -0.001966      0.006136     -0.003370
      9.87640      1.42669      9.97891         0.006928     -0.004000     -0.008621
      8.64210      3.56508      9.98035        -0.000299     -0.005034      0.003416
      7.40829      5.70332      9.98281         0.003737     -0.001183      0.006388
      6.17463      7.84203      9.98543        -0.003573      0.002897      0.002838
      4.93933      9.98184      9.97934         0.010957     -0.008195     -0.005341
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000298      0.002423


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




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


    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  151.09: CPU time   75.61
     LOOP+:  VPU time 4394.41: CPU time 2278.38


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


    POTLOK:  VPU time    7.76: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1300.13: CPU time  664.39
 BZINTS: Fermi energy: -3.204470;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.43: CPU time   45.56
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1398.78: CPU time  718.12

 eigenvalue-minimisations  :  5088
 total energy-change (2. order) :-0.4717267E+03  (-0.2730309E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9582648 magnetization   -0.0000056

 Broyden mixing:
  rms(total) = 0.79615E-03    rms(broyden)= 0.79604E-03
  rms(prec ) = 0.92482E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34076.76195385
  -1/2 Hartree   DENC   =    -40967.91707877
  -V(xc)+E(xc)   XCENC  =       726.56675312
  PAW double counting   =      4093.52350302    -4131.84952208
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.25217809
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72671535 eV

  energy without entropy =     -471.72671535  energy(sigma->0) =     -471.72671535


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




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


    POTLOK:  VPU time    7.72: CPU time    7.72
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1194.97: CPU time  610.61
 BZINTS: Fermi energy: -3.204647;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1203.04: CPU time  618.64

 eigenvalue-minimisations  :  4504
 total energy-change (2. order) : 0.2586339E-04  (-0.8004574E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9582648 magnetization   -0.0000056

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34076.76195385
  -1/2 Hartree   DENC   =    -40967.78615614
  -V(xc)+E(xc)   XCENC  =       726.56341822
  PAW double counting   =      4093.45912847    -4131.78501965
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.37986784
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72668949 eV

  energy without entropy =     -471.72668949  energy(sigma->0) =     -471.72668949


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2057       2 -39.5389       3 -39.5389       4 -58.3130       5 -58.3168
       6 -58.3195       7 -58.3142       8 -58.3145       9 -58.3144      10 -58.3207
      11 -58.3867      12 -58.3510      13 -58.3225      14 -58.3142      15 -58.3239
      16 -58.5398      17 -58.7264      18 -58.3511      19 -58.3195      20 -58.3194
      21 -58.3575      22 -58.5398      23 -58.3867      24 -58.3168      25 -58.3224
      26 -58.3194      27 -58.3239      28 -58.3207      29 -58.3167      30 -58.3206
      31 -58.3238      32 -58.3193      33 -58.3223      34 -58.3194      35 -58.3866
      36 -58.5397      37 -58.3574      38 -58.3193      39 -58.3141      40 -58.3509
      41 -58.7263      42 -58.5397      43 -58.3238      44 -58.3143      45 -58.3224
      46 -58.3509      47 -58.3866      48 -58.3206      49 -58.3129      50 -58.3143
      51 -58.3141      52 -58.3195      53 -58.3167
 
 
 
 E-fermi :  -3.2046     XC(G=0):  -2.3486     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     -22.4240      1.00000
      2     -21.5990      1.00000
      3     -21.4796      1.00000
      4     -21.4706      1.00000
      5     -21.4394      1.00000
      6     -21.4389      1.00000
      7     -21.4284      1.00000
      8     -19.7042      1.00000
      9     -19.6502      1.00000
     10     -19.6279      1.00000
     11     -19.6167      1.00000
     12     -19.6117      1.00000
     13     -19.6105      1.00000
     14     -18.7873      1.00000
     15     -18.7524      1.00000
     16     -18.7332      1.00000
     17     -18.7242      1.00000
     18     -18.7162      1.00000
     19     -18.7115      1.00000
     20     -16.6324      1.00000
     21     -16.6063      1.00000
     22     -16.5837      1.00000
     23     -16.5801      1.00000
     24     -16.5524      1.00000
     25     -16.5514      1.00000
     26     -15.6128      1.00000
     27     -15.6000      1.00000
     28     -15.5964      1.00000
     29     -15.5630      1.00000
     30     -15.5612      1.00000
     31     -15.5598      1.00000
     32     -14.2574      1.00000
     33     -14.2485      1.00000
     34     -14.2391      1.00000
     35     -14.2339      1.00000
     36     -14.2205      1.00000
     37     -14.2180      1.00000
     38     -11.9038      1.00000
     39     -11.8773      1.00000
     40     -11.8658      1.00000
     41     -11.8630      1.00000
     42     -11.8432      1.00000
     43     -11.8430      1.00000
     44     -11.7689      1.00000
     45     -11.7669      1.00000
     46     -11.7335      1.00000
     47     -11.7273      1.00000
     48     -11.7239      1.00000
     49     -11.7203      1.00000
     50     -10.6708      1.00000
     51     -10.3861      1.00000
     52     -10.3817      1.00000
     53     -10.3745      1.00000
     54     -10.3669      1.00000
     55     -10.3543      1.00000
     56     -10.3517      1.00000
     57      -9.8990      1.00000
     58      -9.4469      1.00000
     59      -9.4036      1.00000
     60      -9.3613      1.00000
     61      -9.3604      1.00000
     62      -9.3527      1.00000
     63      -9.1398      1.00000
     64      -9.1209      1.00000
     65      -9.1187      1.00000
     66      -9.0836      1.00000
     67      -9.0698      1.00000
     68      -9.0688      1.00000
     69      -9.0685      1.00000
     70      -9.0632      1.00000
     71      -9.0626      1.00000
     72      -9.0368      1.00000
     73      -9.0273      1.00000
     74      -9.0248      1.00000
     75      -8.1356      1.00000
     76      -7.7294      1.00000
     77      -7.4680      1.00000
     78      -7.4649      1.00000
     79      -7.4523      1.00000
     80      -7.4325      1.00000
     81      -7.4231      1.00000
     82      -7.4051      1.00000
     83      -7.3101      1.00000
     84      -7.2684      1.00000
     85      -7.2557      1.00000
     86      -7.2473      1.00000
     87      -7.1555      1.00000
     88      -7.0433      1.00000
     89      -6.4452      1.00000
     90      -6.4133      1.00000
     91      -6.3987      1.00000
     92      -6.3617      1.00000
     93      -6.3516      1.00000
     94      -6.3384      1.00000
     95      -5.9577      1.00000
     96      -5.9561      1.00000
     97      -4.7943      1.00000
     98      -4.5387      1.00000
     99      -4.4787      1.00000
    100      -4.4698      1.00000
    101      -4.3809      1.00000
    102      -4.3808      1.00000
    103      -4.2642      1.00000
    104      -4.1831      1.00000
    105      -3.7327      1.00000
    106      -3.4690      1.00000
    107      -1.8586      0.00000
    108      -1.6728      0.00000
    109      -1.6226      0.00000
    110      -1.5906      0.00000
    111      -1.5754      0.00000
    112      -1.5745      0.00000
    113      -0.4274      0.00000
    114       0.1437      0.00000
    115       0.1930      0.00000
    116       0.2563      0.00000
    117       0.2680      0.00000
    118       0.2716      0.00000
    119       0.4747      0.00000
    120       0.5603      0.00000
    121       1.2564      0.00000
    122       1.2912      0.00000
    123       1.5428      0.00000
    124       1.7560      0.00000
    125       1.7845      0.00000
    126       1.7872      0.00000
    127       1.7887      0.00000
    128       1.8349      0.00000
    129       1.9589      0.00000
    130       1.9729      0.00000
    131       1.9751      0.00000
    132       1.9893      0.00000
    133       1.9969      0.00000
    134       2.0887      0.00000
    135       2.2689      0.00000
    136       2.3340      0.00000
    137       2.6384      0.00000
    138       2.6396      0.00000
    139       2.6716      0.00000
    140       2.7025      0.00000
    141       2.9466      0.00000
    142       3.0107      0.00000
    143       3.0177      0.00000
    144       3.0374      0.00000
    145       3.0401      0.00000
    146       3.0403      0.00000
    147       3.0852      0.00000
    148       3.2765      0.00000
    149       3.4376      0.00000
    150       3.5147      0.00000
    151       3.8042      0.00000
    152       3.9361      0.00000
    153       3.9394      0.00000
    154       3.9403      0.00000
    155       3.9479      0.00000
    156       3.9989      0.00000
    157       4.1882      0.00000
    158       4.2700      0.00000
    159       4.2768      0.00000
    160       4.2916      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3873      1.00000
      2     -21.8281      1.00000
      3     -21.6362      1.00000
      4     -21.6088      1.00000
      5     -21.2723      1.00000
      6     -21.2338      1.00000
      7     -21.0553      1.00000
      8     -20.1654      1.00000
      9     -20.1280      1.00000
     10     -19.6065      1.00000
     11     -19.5955      1.00000
     12     -19.4156      1.00000
     13     -19.0872      1.00000
     14     -19.0581      1.00000
     15     -19.0475      1.00000
     16     -19.0398      1.00000
     17     -18.3588      1.00000
     18     -18.3504      1.00000
     19     -18.0175      1.00000
     20     -17.0670      1.00000
     21     -17.0290      1.00000
     22     -16.9429      1.00000
     23     -16.9379      1.00000
     24     -16.4661      1.00000
     25     -16.4611      1.00000
     26     -15.6120      1.00000
     27     -15.6054      1.00000
     28     -15.2509      1.00000
     29     -15.2419      1.00000
     30     -15.1830      1.00000
     31     -15.0962      1.00000
     32     -15.0696      1.00000
     33     -14.6967      1.00000
     34     -14.6946      1.00000
     35     -13.7248      1.00000
     36     -13.7219      1.00000
     37     -13.2343      1.00000
     38     -12.6125      1.00000
     39     -12.5825      1.00000
     40     -12.4526      1.00000
     41     -12.4487      1.00000
     42     -12.1078      1.00000
     43     -12.1028      1.00000
     44     -11.7148      1.00000
     45     -11.6843      1.00000
     46     -11.2332      1.00000
     47     -11.2242      1.00000
     48     -11.0161      1.00000
     49     -11.0083      1.00000
     50     -10.9246      1.00000
     51     -10.9033      1.00000
     52     -10.6252      1.00000
     53     -10.1535      1.00000
     54     -10.1488      1.00000
     55     -10.0906      1.00000
     56      -9.9949      1.00000
     57      -9.7010      1.00000
     58      -9.6934      1.00000
     59      -9.6543      1.00000
     60      -9.5898      1.00000
     61      -9.5745      1.00000
     62      -9.5571      1.00000
     63      -9.3059      1.00000
     64      -9.3018      1.00000
     65      -9.2719      1.00000
     66      -9.2340      1.00000
     67      -9.1346      1.00000
     68      -9.1146      1.00000
     69      -9.1090      1.00000
     70      -8.9383      1.00000
     71      -8.8699      1.00000
     72      -8.6026      1.00000
     73      -8.5893      1.00000
     74      -8.2377      1.00000
     75      -8.0995      1.00000
     76      -7.9073      1.00000
     77      -7.8617      1.00000
     78      -7.7705      1.00000
     79      -7.7557      1.00000
     80      -7.6943      1.00000
     81      -7.5510      1.00000
     82      -7.3377      1.00000
     83      -7.3213      1.00000
     84      -7.2038      1.00000
     85      -7.1198      1.00000
     86      -7.0309      1.00000
     87      -7.0104      1.00000
     88      -6.7027      1.00000
     89      -6.6770      1.00000
     90      -6.6396      1.00000
     91      -6.5954      1.00000
     92      -6.1150      1.00000
     93      -6.0604      1.00000
     94      -6.0293      1.00000
     95      -6.0094      1.00000
     96      -5.7812      1.00000
     97      -4.9666      1.00000
     98      -4.8290      1.00000
     99      -4.7447      1.00000
    100      -4.6777      1.00000
    101      -4.4605      1.00000
    102      -4.1980      1.00000
    103      -4.1684      1.00000
    104      -4.1258      1.00000
    105      -3.7234      1.00000
    106      -3.4789      1.00000
    107      -1.8684      0.00000
    108      -1.8098      0.00000
    109      -1.5222      0.00000
    110      -1.3774      0.00000
    111      -1.3211      0.00000
    112      -1.2875      0.00000
    113      -0.7187      0.00000
    114      -0.3754      0.00000
    115      -0.2501      0.00000
    116       0.0355      0.00000
    117       0.5638      0.00000
    118       0.7002      0.00000
    119       0.7472      0.00000
    120       1.0483      0.00000
    121       1.1003      0.00000
    122       1.1548      0.00000
    123       1.2285      0.00000
    124       1.3874      0.00000
    125       1.5302      0.00000
    126       1.5988      0.00000
    127       1.7195      0.00000
    128       1.7871      0.00000
    129       1.8575      0.00000
    130       1.8839      0.00000
    131       2.0970      0.00000
    132       2.2039      0.00000
    133       2.2472      0.00000
    134       2.3222      0.00000
    135       2.5230      0.00000
    136       2.5907      0.00000
    137       2.6094      0.00000
    138       2.7707      0.00000
    139       2.7923      0.00000
    140       2.8098      0.00000
    141       2.8234      0.00000
    142       2.8937      0.00000
    143       2.9306      0.00000
    144       3.1047      0.00000
    145       3.1683      0.00000
    146       3.3102      0.00000
    147       3.3336      0.00000
    148       3.3879      0.00000
    149       3.4596      0.00000
    150       3.5877      0.00000
    151       3.6317      0.00000
    152       3.6512      0.00000
    153       3.7008      0.00000
    154       3.9117      0.00000
    155       3.9610      0.00000
    156       4.0217      0.00000
    157       4.0695      0.00000
    158       4.2296      0.00000
    159       4.2472      0.00000
    160       4.2803      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2811      1.00000
      2     -22.0761      1.00000
      3     -21.7145      1.00000
      4     -21.6833      1.00000
      5     -20.9770      1.00000
      6     -20.9374      1.00000
      7     -20.6095      1.00000
      8     -20.5735      1.00000
      9     -20.5676      1.00000
     10     -20.0310      1.00000
     11     -19.5013      1.00000
     12     -19.4896      1.00000
     13     -19.3050      1.00000
     14     -19.2998      1.00000
     15     -18.4456      1.00000
     16     -18.4096      1.00000
     17     -17.9206      1.00000
     18     -17.9110      1.00000
     19     -17.7595      1.00000
     20     -17.7245      1.00000
     21     -17.4344      1.00000
     22     -17.4266      1.00000
     23     -17.3396      1.00000
     24     -16.4609      1.00000
     25     -16.4596      1.00000
     26     -15.9652      1.00000
     27     -15.4120      1.00000
     28     -15.4070      1.00000
     29     -15.0944      1.00000
     30     -15.0914      1.00000
     31     -14.8536      1.00000
     32     -14.8459      1.00000
     33     -14.2885      1.00000
     34     -14.2561      1.00000
     35     -13.4349      1.00000
     36     -13.4028      1.00000
     37     -13.1758      1.00000
     38     -13.1720      1.00000
     39     -12.9799      1.00000
     40     -12.9750      1.00000
     41     -12.6117      1.00000
     42     -12.6078      1.00000
     43     -12.1963      1.00000
     44     -11.5741      1.00000
     45     -11.5407      1.00000
     46     -11.3084      1.00000
     47     -11.2858      1.00000
     48     -11.1406      1.00000
     49     -10.6729      1.00000
     50     -10.6589      1.00000
     51     -10.5474      1.00000
     52     -10.3222      1.00000
     53     -10.3157      1.00000
     54     -10.1687      1.00000
     55     -10.1134      1.00000
     56     -10.1102      1.00000
     57      -9.7958      1.00000
     58      -9.7637      1.00000
     59      -9.7495      1.00000
     60      -9.6981      1.00000
     61      -9.6965      1.00000
     62      -9.6598      1.00000
     63      -9.3537      1.00000
     64      -9.3491      1.00000
     65      -9.3133      1.00000
     66      -9.0383      1.00000
     67      -8.9612      1.00000
     68      -8.9476      1.00000
     69      -8.7969      1.00000
     70      -8.5919      1.00000
     71      -8.5569      1.00000
     72      -8.3955      1.00000
     73      -8.3633      1.00000
     74      -8.3228      1.00000
     75      -8.3050      1.00000
     76      -8.2573      1.00000
     77      -8.2560      1.00000
     78      -8.2345      1.00000
     79      -7.9072      1.00000
     80      -7.6500      1.00000
     81      -7.5402      1.00000
     82      -7.3850      1.00000
     83      -7.3479      1.00000
     84      -7.2299      1.00000
     85      -7.0967      1.00000
     86      -7.0361      1.00000
     87      -6.9332      1.00000
     88      -6.8443      1.00000
     89      -6.6106      1.00000
     90      -6.5579      1.00000
     91      -6.2680      1.00000
     92      -6.0407      1.00000
     93      -5.9498      1.00000
     94      -5.6606      1.00000
     95      -5.6205      1.00000
     96      -5.4585      1.00000
     97      -5.3176      1.00000
     98      -5.2772      1.00000
     99      -5.2126      1.00000
    100      -5.1920      1.00000
    101      -4.4975      1.00000
    102      -4.2016      1.00000
    103      -4.0535      1.00000
    104      -3.9870      1.00000
    105      -3.6893      1.00000
    106      -3.4890      1.00000
    107      -1.9447      0.00000
    108      -1.8973      0.00000
    109      -1.3354      0.00000
    110      -1.0846      0.00000
    111      -1.0581      0.00000
    112      -0.7994      0.00000
    113      -0.6780      0.00000
    114      -0.6462      0.00000
    115      -0.6066      0.00000
    116      -0.1089      0.00000
    117       0.2157      0.00000
    118       0.3283      0.00000
    119       0.7043      0.00000
    120       0.8933      0.00000
    121       1.1277      0.00000
    122       1.2000      0.00000
    123       1.3354      0.00000
    124       1.4308      0.00000
    125       1.5586      0.00000
    126       1.5791      0.00000
    127       1.6990      0.00000
    128       1.8055      0.00000
    129       1.8834      0.00000
    130       2.0524      0.00000
    131       2.1003      0.00000
    132       2.2884      0.00000
    133       2.3536      0.00000
    134       2.4164      0.00000
    135       2.5619      0.00000
    136       2.6359      0.00000
    137       2.7061      0.00000
    138       2.7394      0.00000
    139       2.7770      0.00000
    140       2.8769      0.00000
    141       3.0389      0.00000
    142       3.0660      0.00000
    143       3.1768      0.00000
    144       3.2716      0.00000
    145       3.3699      0.00000
    146       3.4240      0.00000
    147       3.4438      0.00000
    148       3.5567      0.00000
    149       3.5783      0.00000
    150       3.5981      0.00000
    151       3.6595      0.00000
    152       3.6810      0.00000
    153       3.7542      0.00000
    154       3.7606      0.00000
    155       3.8127      0.00000
    156       3.8929      0.00000
    157       3.9362      0.00000
    158       3.9981      0.00000
    159       4.2138      0.00000
    160       4.2299      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3152      1.00000
      2     -21.9603      1.00000
      3     -21.8924      1.00000
      4     -21.3788      1.00000
      5     -21.3500      1.00000
      6     -20.8374      1.00000
      7     -20.7732      1.00000
      8     -20.6225      1.00000
      9     -20.0755      1.00000
     10     -20.0700      1.00000
     11     -19.7151      1.00000
     12     -19.6908      1.00000
     13     -18.9944      1.00000
     14     -18.9887      1.00000
     15     -18.6385      1.00000
     16     -18.6227      1.00000
     17     -18.4607      1.00000
     18     -17.6732      1.00000
     19     -17.6236      1.00000
     20     -17.6208      1.00000
     21     -17.5795      1.00000
     22     -17.1247      1.00000
     23     -17.1032      1.00000
     24     -16.9597      1.00000
     25     -15.9995      1.00000
     26     -15.9275      1.00000
     27     -15.5839      1.00000
     28     -15.5837      1.00000
     29     -15.2854      1.00000
     30     -14.8622      1.00000
     31     -14.8351      1.00000
     32     -14.5774      1.00000
     33     -14.5362      1.00000
     34     -14.1662      1.00000
     35     -14.1531      1.00000
     36     -13.1462      1.00000
     37     -13.0987      1.00000
     38     -13.0287      1.00000
     39     -13.0185      1.00000
     40     -12.7076      1.00000
     41     -12.7036      1.00000
     42     -12.3390      1.00000
     43     -12.3083      1.00000
     44     -11.6338      1.00000
     45     -11.6203      1.00000
     46     -11.5701      1.00000
     47     -10.9470      1.00000
     48     -10.9146      1.00000
     49     -10.6284      1.00000
     50     -10.6232      1.00000
     51     -10.5440      1.00000
     52     -10.4973      1.00000
     53     -10.4969      1.00000
     54     -10.4383      1.00000
     55     -10.3595      1.00000
     56     -10.0966      1.00000
     57      -9.9020      1.00000
     58      -9.6075      1.00000
     59      -9.5558      1.00000
     60      -9.4510      1.00000
     61      -9.4099      1.00000
     62      -9.4026      1.00000
     63      -9.3763      1.00000
     64      -9.3762      1.00000
     65      -9.2846      1.00000
     66      -9.1666      1.00000
     67      -9.1412      1.00000
     68      -9.1125      1.00000
     69      -8.8622      1.00000
     70      -8.8550      1.00000
     71      -8.8136      1.00000
     72      -8.5955      1.00000
     73      -8.4785      1.00000
     74      -8.1970      1.00000
     75      -8.1617      1.00000
     76      -8.0113      1.00000
     77      -7.9550      1.00000
     78      -7.8497      1.00000
     79      -7.8394      1.00000
     80      -7.7047      1.00000
     81      -7.6951      1.00000
     82      -7.6233      1.00000
     83      -7.4432      1.00000
     84      -7.3041      1.00000
     85      -7.2447      1.00000
     86      -6.9043      1.00000
     87      -6.8911      1.00000
     88      -6.5874      1.00000
     89      -6.5487      1.00000
     90      -6.4057      1.00000
     91      -6.2515      1.00000
     92      -6.2306      1.00000
     93      -6.2033      1.00000
     94      -6.0210      1.00000
     95      -5.5473      1.00000
     96      -5.4864      1.00000
     97      -5.3468      1.00000
     98      -5.2187      1.00000
     99      -4.9772      1.00000
    100      -4.7265      1.00000
    101      -4.6751      1.00000
    102      -4.3814      1.00000
    103      -4.1969      1.00000
    104      -3.8624      1.00000
    105      -3.5443      1.00000
    106      -3.5003      1.00000
    107      -2.2568      0.00000
    108      -1.4531      0.00000
    109      -1.3718      0.00000
    110      -1.2416      0.00000
    111      -1.0962      0.00000
    112      -0.9446      0.00000
    113      -0.8633      0.00000
    114      -0.8028      0.00000
    115      -0.1405      0.00000
    116       0.1096      0.00000
    117       0.2412      0.00000
    118       0.3774      0.00000
    119       0.6630      0.00000
    120       0.8357      0.00000
    121       0.9372      0.00000
    122       1.0699      0.00000
    123       1.2464      0.00000
    124       1.4481      0.00000
    125       1.5743      0.00000
    126       1.7673      0.00000
    127       1.7893      0.00000
    128       1.8551      0.00000
    129       1.9931      0.00000
    130       2.0354      0.00000
    131       2.1798      0.00000
    132       2.1960      0.00000
    133       2.4013      0.00000
    134       2.4245      0.00000
    135       2.4905      0.00000
    136       2.6056      0.00000
    137       2.6332      0.00000
    138       2.7104      0.00000
    139       2.7705      0.00000
    140       2.8506      0.00000
    141       2.9692      0.00000
    142       3.0821      0.00000
    143       3.1630      0.00000
    144       3.1990      0.00000
    145       3.2325      0.00000
    146       3.3036      0.00000
    147       3.3219      0.00000
    148       3.4725      0.00000
    149       3.5220      0.00000
    150       3.7003      0.00000
    151       3.7256      0.00000
    152       3.7301      0.00000
    153       3.8698      0.00000
    154       3.8948      0.00000
    155       3.9469      0.00000
    156       3.9664      0.00000
    157       3.9875      0.00000
    158       4.0311      0.00000
    159       4.0395      0.00000
    160       4.0503      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2074      1.00000
      2     -22.1162      1.00000
      3     -21.9552      1.00000
      4     -21.4025      1.00000
      5     -21.0476      1.00000
      6     -21.0124      1.00000
      7     -20.4984      1.00000
      8     -20.4597      1.00000
      9     -20.2933      1.00000
     10     -20.2743      1.00000
     11     -19.9554      1.00000
     12     -19.8904      1.00000
     13     -18.8802      1.00000
     14     -18.8123      1.00000
     15     -18.3506      1.00000
     16     -18.3054      1.00000
     17     -18.1514      1.00000
     18     -18.1344      1.00000
     19     -17.8247      1.00000
     20     -17.7880      1.00000
     21     -17.2503      1.00000
     22     -17.2397      1.00000
     23     -17.1636      1.00000
     24     -17.1312      1.00000
     25     -16.1082      1.00000
     26     -15.8835      1.00000
     27     -15.8685      1.00000
     28     -15.8323      1.00000
     29     -15.2352      1.00000
     30     -14.5531      1.00000
     31     -14.5255      1.00000
     32     -14.2789      1.00000
     33     -13.9625      1.00000
     34     -13.9547      1.00000
     35     -13.8192      1.00000
     36     -13.8029      1.00000
     37     -13.6127      1.00000
     38     -13.5696      1.00000
     39     -13.3682      1.00000
     40     -12.6327      1.00000
     41     -12.1789      1.00000
     42     -12.1318      1.00000
     43     -12.0699      1.00000
     44     -12.0182      1.00000
     45     -11.6682      1.00000
     46     -11.6551      1.00000
     47     -11.1369      1.00000
     48     -11.1169      1.00000
     49     -10.7924      1.00000
     50     -10.7293      1.00000
     51     -10.5216      1.00000
     52     -10.2079      1.00000
     53     -10.2036      1.00000
     54     -10.1633      1.00000
     55     -10.0164      1.00000
     56     -10.0028      1.00000
     57      -9.9889      1.00000
     58      -9.8001      1.00000
     59      -9.7965      1.00000
     60      -9.7610      1.00000
     61      -9.7562      1.00000
     62      -9.4526      1.00000
     63      -9.4145      1.00000
     64      -9.0772      1.00000
     65      -9.0715      1.00000
     66      -9.0399      1.00000
     67      -8.9536      1.00000
     68      -8.8752      1.00000
     69      -8.7108      1.00000
     70      -8.6988      1.00000
     71      -8.5641      1.00000
     72      -8.5412      1.00000
     73      -8.4972      1.00000
     74      -8.4616      1.00000
     75      -8.4524      1.00000
     76      -8.2572      1.00000
     77      -8.1241      1.00000
     78      -8.0411      1.00000
     79      -7.9144      1.00000
     80      -7.8603      1.00000
     81      -7.6151      1.00000
     82      -7.5465      1.00000
     83      -7.4932      1.00000
     84      -7.2585      1.00000
     85      -6.9941      1.00000
     86      -6.9223      1.00000
     87      -6.8813      1.00000
     88      -6.5307      1.00000
     89      -6.4855      1.00000
     90      -6.4591      1.00000
     91      -6.4086      1.00000
     92      -5.9806      1.00000
     93      -5.8952      1.00000
     94      -5.7831      1.00000
     95      -5.7578      1.00000
     96      -5.4277      1.00000
     97      -5.3267      1.00000
     98      -5.2291      1.00000
     99      -5.2161      1.00000
    100      -5.1865      1.00000
    101      -4.6872      1.00000
    102      -4.4140      1.00000
    103      -4.2032      1.00000
    104      -3.8247      1.00000
    105      -3.5195      1.00000
    106      -3.2731      1.00000
    107      -2.5312      0.00000
    108      -1.4546      0.00000
    109      -1.2670      0.00000
    110      -1.2028      0.00000
    111      -1.1720      0.00000
    112      -0.7186      0.00000
    113      -0.5034      0.00000
    114      -0.4120      0.00000
    115      -0.3389      0.00000
    116      -0.1459      0.00000
    117      -0.0025      0.00000
    118       0.1926      0.00000
    119       0.5608      0.00000
    120       0.6130      0.00000
    121       0.8060      0.00000
    122       0.9152      0.00000
    123       1.1429      0.00000
    124       1.5058      0.00000
    125       1.6425      0.00000
    126       1.8732      0.00000
    127       1.9402      0.00000
    128       2.0913      0.00000
    129       2.1183      0.00000
    130       2.1312      0.00000
    131       2.1605      0.00000
    132       2.2806      0.00000
    133       2.3065      0.00000
    134       2.4477      0.00000
    135       2.5755      0.00000
    136       2.6661      0.00000
    137       2.8636      0.00000
    138       2.8729      0.00000
    139       2.9056      0.00000
    140       2.9962      0.00000
    141       3.0206      0.00000
    142       3.1345      0.00000
    143       3.1541      0.00000
    144       3.2224      0.00000
    145       3.2737      0.00000
    146       3.2926      0.00000
    147       3.3117      0.00000
    148       3.3555      0.00000
    149       3.4382      0.00000
    150       3.4549      0.00000
    151       3.5592      0.00000
    152       3.6167      0.00000
    153       3.6585      0.00000
    154       3.6995      0.00000
    155       3.7899      0.00000
    156       3.9062      0.00000
    157       3.9312      0.00000
    158       4.0110      0.00000
    159       4.1557      0.00000
    160       4.2368      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3150      1.00000
      2     -21.9619      1.00000
      3     -21.8908      1.00000
      4     -21.3825      1.00000
      5     -21.3467      1.00000
      6     -20.8372      1.00000
      7     -20.7717      1.00000
      8     -20.6230      1.00000
      9     -20.0875      1.00000
     10     -20.0593      1.00000
     11     -19.7166      1.00000
     12     -19.6881      1.00000
     13     -19.0076      1.00000
     14     -18.9772      1.00000
     15     -18.6479      1.00000
     16     -18.6159      1.00000
     17     -18.4588      1.00000
     18     -17.6584      1.00000
     19     -17.6446      1.00000
     20     -17.6089      1.00000
     21     -17.5764      1.00000
     22     -17.1351      1.00000
     23     -17.0960      1.00000
     24     -16.9647      1.00000
     25     -16.0068      1.00000
     26     -15.9212      1.00000
     27     -15.5968      1.00000
     28     -15.5738      1.00000
     29     -15.2779      1.00000
     30     -14.8746      1.00000
     31     -14.8285      1.00000
     32     -14.5728      1.00000
     33     -14.5351      1.00000
     34     -14.1625      1.00000
     35     -14.1581      1.00000
     36     -13.1604      1.00000
     37     -13.0940      1.00000
     38     -13.0214      1.00000
     39     -13.0167      1.00000
     40     -12.7158      1.00000
     41     -12.6930      1.00000
     42     -12.3389      1.00000
     43     -12.3119      1.00000
     44     -11.6300      1.00000
     45     -11.6209      1.00000
     46     -11.5684      1.00000
     47     -10.9392      1.00000
     48     -10.9211      1.00000
     49     -10.6633      1.00000
     50     -10.5887      1.00000
     51     -10.5708      1.00000
     52     -10.4998      1.00000
     53     -10.4864      1.00000
     54     -10.4377      1.00000
     55     -10.3541      1.00000
     56     -10.1008      1.00000
     57      -9.8963      1.00000
     58      -9.6062      1.00000
     59      -9.5494      1.00000
     60      -9.4513      1.00000
     61      -9.4172      1.00000
     62      -9.4071      1.00000
     63      -9.3784      1.00000
     64      -9.3701      1.00000
     65      -9.2655      1.00000
     66      -9.1636      1.00000
     67      -9.1399      1.00000
     68      -9.1143      1.00000
     69      -8.8645      1.00000
     70      -8.8588      1.00000
     71      -8.8005      1.00000
     72      -8.5944      1.00000
     73      -8.5233      1.00000
     74      -8.1919      1.00000
     75      -8.1692      1.00000
     76      -8.0770      1.00000
     77      -7.8566      1.00000
     78      -7.8351      1.00000
     79      -7.8186      1.00000
     80      -7.7089      1.00000
     81      -7.6948      1.00000
     82      -7.6000      1.00000
     83      -7.5217      1.00000
     84      -7.3502      1.00000
     85      -7.1626      1.00000
     86      -6.9040      1.00000
     87      -6.8942      1.00000
     88      -6.5916      1.00000
     89      -6.5491      1.00000
     90      -6.4043      1.00000
     91      -6.3004      1.00000
     92      -6.2461      1.00000
     93      -6.1999      1.00000
     94      -6.0015      1.00000
     95      -5.5286      1.00000
     96      -5.4633      1.00000
     97      -5.3110      1.00000
     98      -5.2080      1.00000
     99      -5.0426      1.00000
    100      -4.7199      1.00000
    101      -4.6684      1.00000
    102      -4.4161      1.00000
    103      -4.1894      1.00000
    104      -3.8340      1.00000
    105      -3.6293      1.00000
    106      -3.4117      1.00000
    107      -2.2912      0.00000
    108      -1.5065      0.00000
    109      -1.2696      0.00000
    110      -1.2625      0.00000
    111      -1.0332      0.00000
    112      -0.9782      0.00000
    113      -0.8678      0.00000
    114      -0.7995      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3595      0.00000
    119       0.6997      0.00000
    120       0.8949      0.00000
    121       0.9250      0.00000
    122       1.0475      0.00000
    123       1.1740      0.00000
    124       1.5156      0.00000
    125       1.5797      0.00000
    126       1.7139      0.00000
    127       1.7801      0.00000
    128       1.8249      0.00000
    129       1.9472      0.00000
    130       2.0085      0.00000
    131       2.1666      0.00000
    132       2.2816      0.00000
    133       2.4052      0.00000
    134       2.4342      0.00000
    135       2.4848      0.00000
    136       2.6029      0.00000
    137       2.6193      0.00000
    138       2.7150      0.00000
    139       2.7495      0.00000
    140       2.8746      0.00000
    141       3.0502      0.00000
    142       3.0818      0.00000
    143       3.1651      0.00000
    144       3.2100      0.00000
    145       3.2307      0.00000
    146       3.2933      0.00000
    147       3.3412      0.00000
    148       3.4594      0.00000
    149       3.5402      0.00000
    150       3.7031      0.00000
    151       3.7215      0.00000
    152       3.7558      0.00000
    153       3.8336      0.00000
    154       3.8783      0.00000
    155       3.9367      0.00000
    156       3.9730      0.00000
    157       3.9873      0.00000
    158       4.0194      0.00000
    159       4.0255      0.00000
    160       4.0808      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3873      1.00000
      2     -21.8283      1.00000
      3     -21.6393      1.00000
      4     -21.6050      1.00000
      5     -21.2765      1.00000
      6     -21.2304      1.00000
      7     -21.0548      1.00000
      8     -20.1690      1.00000
      9     -20.1238      1.00000
     10     -19.6149      1.00000
     11     -19.5894      1.00000
     12     -19.4136      1.00000
     13     -19.0923      1.00000
     14     -19.0541      1.00000
     15     -19.0504      1.00000
     16     -19.0369      1.00000
     17     -18.3649      1.00000
     18     -18.3457      1.00000
     19     -18.0145      1.00000
     20     -17.0694      1.00000
     21     -17.0218      1.00000
     22     -16.9481      1.00000
     23     -16.9346      1.00000
     24     -16.4734      1.00000
     25     -16.4618      1.00000
     26     -15.6078      1.00000
     27     -15.6072      1.00000
     28     -15.2476      1.00000
     29     -15.2358      1.00000
     30     -15.1889      1.00000
     31     -15.1000      1.00000
     32     -15.0665      1.00000
     33     -14.6967      1.00000
     34     -14.6958      1.00000
     35     -13.7233      1.00000
     36     -13.7233      1.00000
     37     -13.2330      1.00000
     38     -12.6223      1.00000
     39     -12.5781      1.00000
     40     -12.4527      1.00000
     41     -12.4473      1.00000
     42     -12.1033      1.00000
     43     -12.0984      1.00000
     44     -11.7199      1.00000
     45     -11.6821      1.00000
     46     -11.2440      1.00000
     47     -11.2230      1.00000
     48     -11.0153      1.00000
     49     -11.0039      1.00000
     50     -10.9259      1.00000
     51     -10.8978      1.00000
     52     -10.6313      1.00000
     53     -10.1703      1.00000
     54     -10.1476      1.00000
     55     -10.0831      1.00000
     56      -9.9873      1.00000
     57      -9.6938      1.00000
     58      -9.6871      1.00000
     59      -9.6692      1.00000
     60      -9.5909      1.00000
     61      -9.5672      1.00000
     62      -9.5509      1.00000
     63      -9.3104      1.00000
     64      -9.2980      1.00000
     65      -9.2800      1.00000
     66      -9.2423      1.00000
     67      -9.1204      1.00000
     68      -9.1102      1.00000
     69      -9.1091      1.00000
     70      -8.9377      1.00000
     71      -8.8747      1.00000
     72      -8.6029      1.00000
     73      -8.5857      1.00000
     74      -8.2705      1.00000
     75      -8.0990      1.00000
     76      -7.8670      1.00000
     77      -7.8419      1.00000
     78      -7.7889      1.00000
     79      -7.7634      1.00000
     80      -7.7533      1.00000
     81      -7.4362      1.00000
     82      -7.3332      1.00000
     83      -7.3206      1.00000
     84      -7.2640      1.00000
     85      -7.1650      1.00000
     86      -7.0143      1.00000
     87      -6.9838      1.00000
     88      -6.7157      1.00000
     89      -6.6909      1.00000
     90      -6.6298      1.00000
     91      -6.5878      1.00000
     92      -6.1155      1.00000
     93      -6.0575      1.00000
     94      -6.0430      1.00000
     95      -6.0272      1.00000
     96      -5.7459      1.00000
     97      -4.9668      1.00000
     98      -4.8361      1.00000
     99      -4.7069      1.00000
    100      -4.6719      1.00000
    101      -4.4765      1.00000
    102      -4.3444      1.00000
    103      -4.1099      1.00000
    104      -4.0529      1.00000
    105      -3.7484      1.00000
    106      -3.4574      1.00000
    107      -1.9477      0.00000
    108      -1.7705      0.00000
    109      -1.4798      0.00000
    110      -1.3546      0.00000
    111      -1.3367      0.00000
    112      -1.2915      0.00000
    113      -0.6786      0.00000
    114      -0.4705      0.00000
    115      -0.2348      0.00000
    116       0.0501      0.00000
    117       0.5980      0.00000
    118       0.6934      0.00000
    119       0.7690      0.00000
    120       1.0205      0.00000
    121       1.0978      0.00000
    122       1.1780      0.00000
    123       1.2525      0.00000
    124       1.3450      0.00000
    125       1.4488      0.00000
    126       1.6117      0.00000
    127       1.7397      0.00000
    128       1.8483      0.00000
    129       1.8557      0.00000
    130       1.8941      0.00000
    131       2.0339      0.00000
    132       2.2269      0.00000
    133       2.2535      0.00000
    134       2.3066      0.00000
    135       2.4825      0.00000
    136       2.5860      0.00000
    137       2.6386      0.00000
    138       2.7713      0.00000
    139       2.7776      0.00000
    140       2.8180      0.00000
    141       2.8389      0.00000
    142       2.8490      0.00000
    143       2.9158      0.00000
    144       3.1122      0.00000
    145       3.3076      0.00000
    146       3.3292      0.00000
    147       3.3663      0.00000
    148       3.4026      0.00000
    149       3.4171      0.00000
    150       3.5743      0.00000
    151       3.6148      0.00000
    152       3.6676      0.00000
    153       3.7342      0.00000
    154       3.8976      0.00000
    155       3.9324      0.00000
    156       3.9463      0.00000
    157       4.1072      0.00000
    158       4.2053      0.00000
    159       4.2441      0.00000
    160       4.2825      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2064      1.00000
      2     -22.1176      1.00000
      3     -21.9549      1.00000
      4     -21.4027      1.00000
      5     -21.0439      1.00000
      6     -21.0160      1.00000
      7     -20.4937      1.00000
      8     -20.4643      1.00000
      9     -20.2844      1.00000
     10     -20.2823      1.00000
     11     -19.9544      1.00000
     12     -19.8924      1.00000
     13     -18.8811      1.00000
     14     -18.8147      1.00000
     15     -18.3354      1.00000
     16     -18.3163      1.00000
     17     -18.1474      1.00000
     18     -18.1398      1.00000
     19     -17.8137      1.00000
     20     -17.7956      1.00000
     21     -17.2564      1.00000
     22     -17.2370      1.00000
     23     -17.1579      1.00000
     24     -17.1343      1.00000
     25     -16.1144      1.00000
     26     -15.8786      1.00000
     27     -15.8677      1.00000
     28     -15.8392      1.00000
     29     -15.2287      1.00000
     30     -14.5493      1.00000
     31     -14.5311      1.00000
     32     -14.2736      1.00000
     33     -13.9727      1.00000
     34     -13.9494      1.00000
     35     -13.8226      1.00000
     36     -13.8010      1.00000
     37     -13.6022      1.00000
     38     -13.5770      1.00000
     39     -13.3683      1.00000
     40     -12.6367      1.00000
     41     -12.1671      1.00000
     42     -12.1409      1.00000
     43     -12.0661      1.00000
     44     -12.0199      1.00000
     45     -11.6625      1.00000
     46     -11.6579      1.00000
     47     -11.1352      1.00000
     48     -11.1245      1.00000
     49     -10.7888      1.00000
     50     -10.7334      1.00000
     51     -10.5286      1.00000
     52     -10.2059      1.00000
     53     -10.1999      1.00000
     54     -10.1688      1.00000
     55     -10.0201      1.00000
     56      -9.9925      1.00000
     57      -9.9883      1.00000
     58      -9.8036      1.00000
     59      -9.7938      1.00000
     60      -9.7632      1.00000
     61      -9.7555      1.00000
     62      -9.4535      1.00000
     63      -9.4146      1.00000
     64      -9.0824      1.00000
     65      -9.0441      1.00000
     66      -9.0238      1.00000
     67      -8.9680      1.00000
     68      -8.8948      1.00000
     69      -8.7060      1.00000
     70      -8.6969      1.00000
     71      -8.5591      1.00000
     72      -8.5484      1.00000
     73      -8.4773      1.00000
     74      -8.4581      1.00000
     75      -8.4547      1.00000
     76      -8.3032      1.00000
     77      -8.0919      1.00000
     78      -8.0891      1.00000
     79      -7.9255      1.00000
     80      -7.8314      1.00000
     81      -7.5991      1.00000
     82      -7.5357      1.00000
     83      -7.4511      1.00000
     84      -7.2995      1.00000
     85      -6.9910      1.00000
     86      -6.9181      1.00000
     87      -6.8804      1.00000
     88      -6.5269      1.00000
     89      -6.5137      1.00000
     90      -6.4798      1.00000
     91      -6.4194      1.00000
     92      -5.9236      1.00000
     93      -5.9025      1.00000
     94      -5.7874      1.00000
     95      -5.7727      1.00000
     96      -5.3661      1.00000
     97      -5.3592      1.00000
     98      -5.2184      1.00000
     99      -5.2143      1.00000
    100      -5.1970      1.00000
    101      -4.7160      1.00000
    102      -4.4333      1.00000
    103      -4.1856      1.00000
    104      -3.8109      1.00000
    105      -3.5566      1.00000
    106      -3.2213      1.00000
    107      -2.5610      0.00000
    108      -1.4596      0.00000
    109      -1.2678      0.00000
    110      -1.1846      0.00000
    111      -1.1833      0.00000
    112      -0.6439      0.00000
    113      -0.5523      0.00000
    114      -0.4145      0.00000
    115      -0.3472      0.00000
    116      -0.0778      0.00000
    117      -0.0636      0.00000
    118       0.1261      0.00000
    119       0.5935      0.00000
    120       0.6277      0.00000
    121       0.8640      0.00000
    122       0.9977      0.00000
    123       1.0098      0.00000
    124       1.4983      0.00000
    125       1.6905      0.00000
    126       1.7957      0.00000
    127       1.8761      0.00000
    128       2.0870      0.00000
    129       2.1268      0.00000
    130       2.1707      0.00000
    131       2.2116      0.00000
    132       2.2483      0.00000
    133       2.3256      0.00000
    134       2.4797      0.00000
    135       2.5059      0.00000
    136       2.6768      0.00000
    137       2.8537      0.00000
    138       2.8628      0.00000
    139       2.9641      0.00000
    140       2.9833      0.00000
    141       3.0361      0.00000
    142       3.1452      0.00000
    143       3.1485      0.00000
    144       3.2405      0.00000
    145       3.2544      0.00000
    146       3.2830      0.00000
    147       3.3147      0.00000
    148       3.3657      0.00000
    149       3.4284      0.00000
    150       3.5612      0.00000
    151       3.5740      0.00000
    152       3.6477      0.00000
    153       3.6486      0.00000
    154       3.6682      0.00000
    155       3.7045      0.00000
    156       3.9096      0.00000
    157       3.9489      0.00000
    158       4.0463      0.00000
    159       4.1004      0.00000
    160       4.2026      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2806      1.00000
      2     -22.0767      1.00000
      3     -21.7180      1.00000
      4     -21.6796      1.00000
      5     -20.9803      1.00000
      6     -20.9336      1.00000
      7     -20.6089      1.00000
      8     -20.5773      1.00000
      9     -20.5641      1.00000
     10     -20.0302      1.00000
     11     -19.5111      1.00000
     12     -19.4819      1.00000
     13     -19.3098      1.00000
     14     -19.2970      1.00000
     15     -18.4471      1.00000
     16     -18.4048      1.00000
     17     -17.9257      1.00000
     18     -17.9058      1.00000
     19     -17.7633      1.00000
     20     -17.7192      1.00000
     21     -17.4398      1.00000
     22     -17.4218      1.00000
     23     -17.3359      1.00000
     24     -16.4695      1.00000
     25     -16.4595      1.00000
     26     -15.9683      1.00000
     27     -15.4092      1.00000
     28     -15.4084      1.00000
     29     -15.0943      1.00000
     30     -15.0913      1.00000
     31     -14.8508      1.00000
     32     -14.8389      1.00000
     33     -14.2958      1.00000
     34     -14.2521      1.00000
     35     -13.4423      1.00000
     36     -13.3984      1.00000
     37     -13.1733      1.00000
     38     -13.1720      1.00000
     39     -12.9835      1.00000
     40     -12.9746      1.00000
     41     -12.6090      1.00000
     42     -12.6069      1.00000
     43     -12.1945      1.00000
     44     -11.5777      1.00000
     45     -11.5374      1.00000
     46     -11.3118      1.00000
     47     -11.2821      1.00000
     48     -11.1395      1.00000
     49     -10.6896      1.00000
     50     -10.6614      1.00000
     51     -10.5424      1.00000
     52     -10.3197      1.00000
     53     -10.3124      1.00000
     54     -10.1734      1.00000
     55     -10.1197      1.00000
     56     -10.1072      1.00000
     57      -9.8090      1.00000
     58      -9.7499      1.00000
     59      -9.7496      1.00000
     60      -9.7004      1.00000
     61      -9.6967      1.00000
     62      -9.6449      1.00000
     63      -9.3505      1.00000
     64      -9.3492      1.00000
     65      -9.3173      1.00000
     66      -9.0255      1.00000
     67      -8.9591      1.00000
     68      -8.9553      1.00000
     69      -8.7737      1.00000
     70      -8.5911      1.00000
     71      -8.5841      1.00000
     72      -8.4208      1.00000
     73      -8.3477      1.00000
     74      -8.3201      1.00000
     75      -8.3008      1.00000
     76      -8.2642      1.00000
     77      -8.2532      1.00000
     78      -8.2384      1.00000
     79      -7.9237      1.00000
     80      -7.7342      1.00000
     81      -7.3777      1.00000
     82      -7.3475      1.00000
     83      -7.3100      1.00000
     84      -7.2153      1.00000
     85      -7.1578      1.00000
     86      -7.0669      1.00000
     87      -6.9590      1.00000
     88      -6.9060      1.00000
     89      -6.6128      1.00000
     90      -6.5545      1.00000
     91      -6.2705      1.00000
     92      -5.9933      1.00000
     93      -5.9573      1.00000
     94      -5.6728      1.00000
     95      -5.6462      1.00000
     96      -5.3836      1.00000
     97      -5.3126      1.00000
     98      -5.2914      1.00000
     99      -5.2105      1.00000
    100      -5.1989      1.00000
    101      -4.5015      1.00000
    102      -4.3302      1.00000
    103      -3.9939      1.00000
    104      -3.8834      1.00000
    105      -3.7862      1.00000
    106      -3.4363      1.00000
    107      -2.0317      0.00000
    108      -1.8627      0.00000
    109      -1.2158      0.00000
    110      -1.1844      0.00000
    111      -1.0352      0.00000
    112      -0.7716      0.00000
    113      -0.6788      0.00000
    114      -0.6590      0.00000
    115      -0.6088      0.00000
    116      -0.1032      0.00000
    117       0.2235      0.00000
    118       0.2390      0.00000
    119       0.7807      0.00000
    120       0.9931      0.00000
    121       1.0767      0.00000
    122       1.2433      0.00000
    123       1.2533      0.00000
    124       1.3467      0.00000
    125       1.5834      0.00000
    126       1.5862      0.00000
    127       1.7242      0.00000
    128       1.7883      0.00000
    129       1.9599      0.00000
    130       1.9859      0.00000
    131       2.0375      0.00000
    132       2.2491      0.00000
    133       2.3433      0.00000
    134       2.4349      0.00000
    135       2.5519      0.00000
    136       2.6340      0.00000
    137       2.7140      0.00000
    138       2.7795      0.00000
    139       2.8574      0.00000
    140       2.8599      0.00000
    141       3.0335      0.00000
    142       3.1128      0.00000
    143       3.1720      0.00000
    144       3.2238      0.00000
    145       3.3772      0.00000
    146       3.4211      0.00000
    147       3.5085      0.00000
    148       3.5470      0.00000
    149       3.5937      0.00000
    150       3.6040      0.00000
    151       3.6531      0.00000
    152       3.7416      0.00000
    153       3.7481      0.00000
    154       3.7588      0.00000
    155       3.7644      0.00000
    156       3.8778      0.00000
    157       4.0241      0.00000
    158       4.1013      0.00000
    159       4.1800      0.00000
    160       4.2220      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4240      1.00000
      2     -21.5990      1.00000
      3     -21.4796      1.00000
      4     -21.4706      1.00000
      5     -21.4394      1.00000
      6     -21.4389      1.00000
      7     -21.4284      1.00000
      8     -19.7042      1.00000
      9     -19.6502      1.00000
     10     -19.6279      1.00000
     11     -19.6167      1.00000
     12     -19.6117      1.00000
     13     -19.6105      1.00000
     14     -18.7873      1.00000
     15     -18.7524      1.00000
     16     -18.7332      1.00000
     17     -18.7242      1.00000
     18     -18.7162      1.00000
     19     -18.7115      1.00000
     20     -16.6324      1.00000
     21     -16.6063      1.00000
     22     -16.5837      1.00000
     23     -16.5801      1.00000
     24     -16.5524      1.00000
     25     -16.5514      1.00000
     26     -15.6128      1.00000
     27     -15.6000      1.00000
     28     -15.5964      1.00000
     29     -15.5630      1.00000
     30     -15.5612      1.00000
     31     -15.5598      1.00000
     32     -14.2574      1.00000
     33     -14.2485      1.00000
     34     -14.2391      1.00000
     35     -14.2339      1.00000
     36     -14.2205      1.00000
     37     -14.2180      1.00000
     38     -11.9038      1.00000
     39     -11.8773      1.00000
     40     -11.8658      1.00000
     41     -11.8630      1.00000
     42     -11.8432      1.00000
     43     -11.8430      1.00000
     44     -11.7689      1.00000
     45     -11.7669      1.00000
     46     -11.7335      1.00000
     47     -11.7273      1.00000
     48     -11.7239      1.00000
     49     -11.7203      1.00000
     50     -10.6708      1.00000
     51     -10.3861      1.00000
     52     -10.3817      1.00000
     53     -10.3745      1.00000
     54     -10.3669      1.00000
     55     -10.3543      1.00000
     56     -10.3517      1.00000
     57      -9.8990      1.00000
     58      -9.4469      1.00000
     59      -9.4036      1.00000
     60      -9.3613      1.00000
     61      -9.3604      1.00000
     62      -9.3527      1.00000
     63      -9.1398      1.00000
     64      -9.1209      1.00000
     65      -9.1187      1.00000
     66      -9.0836      1.00000
     67      -9.0698      1.00000
     68      -9.0688      1.00000
     69      -9.0685      1.00000
     70      -9.0632      1.00000
     71      -9.0626      1.00000
     72      -9.0368      1.00000
     73      -9.0273      1.00000
     74      -9.0248      1.00000
     75      -8.1355      1.00000
     76      -7.7293      1.00000
     77      -7.4680      1.00000
     78      -7.4649      1.00000
     79      -7.4523      1.00000
     80      -7.4325      1.00000
     81      -7.4231      1.00000
     82      -7.4051      1.00000
     83      -7.3101      1.00000
     84      -7.2684      1.00000
     85      -7.2557      1.00000
     86      -7.2473      1.00000
     87      -7.1554      1.00000
     88      -7.0433      1.00000
     89      -6.4452      1.00000
     90      -6.4133      1.00000
     91      -6.3986      1.00000
     92      -6.3617      1.00000
     93      -6.3515      1.00000
     94      -6.3384      1.00000
     95      -5.9577      1.00000
     96      -5.9561      1.00000
     97      -4.7943      1.00000
     98      -4.5387      1.00000
     99      -4.4787      1.00000
    100      -4.4698      1.00000
    101      -4.3809      1.00000
    102      -4.3808      1.00000
    103      -4.2642      1.00000
    104      -4.1831      1.00000
    105      -3.7327      1.00000
    106      -3.4689      1.00000
    107      -1.8586      0.00000
    108      -1.6728      0.00000
    109      -1.6226      0.00000
    110      -1.5906      0.00000
    111      -1.5754      0.00000
    112      -1.5745      0.00000
    113      -0.4274      0.00000
    114       0.1437      0.00000
    115       0.1930      0.00000
    116       0.2563      0.00000
    117       0.2680      0.00000
    118       0.2716      0.00000
    119       0.4748      0.00000
    120       0.5603      0.00000
    121       1.2564      0.00000
    122       1.2911      0.00000
    123       1.5427      0.00000
    124       1.7560      0.00000
    125       1.7845      0.00000
    126       1.7872      0.00000
    127       1.7886      0.00000
    128       1.8350      0.00000
    129       1.9589      0.00000
    130       1.9729      0.00000
    131       1.9751      0.00000
    132       1.9893      0.00000
    133       1.9969      0.00000
    134       2.0888      0.00000
    135       2.2688      0.00000
    136       2.3340      0.00000
    137       2.6384      0.00000
    138       2.6396      0.00000
    139       2.6716      0.00000
    140       2.7025      0.00000
    141       2.9467      0.00000
    142       3.0110      0.00000
    143       3.0178      0.00000
    144       3.0374      0.00000
    145       3.0402      0.00000
    146       3.0403      0.00000
    147       3.0850      0.00000
    148       3.2765      0.00000
    149       3.4374      0.00000
    150       3.5147      0.00000
    151       3.8043      0.00000
    152       3.9361      0.00000
    153       3.9394      0.00000
    154       3.9403      0.00000
    155       3.9480      0.00000
    156       3.9988      0.00000
    157       4.1883      0.00000
    158       4.2700      0.00000
    159       4.2768      0.00000
    160       4.2916      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3873      1.00000
      2     -21.8281      1.00000
      3     -21.6362      1.00000
      4     -21.6088      1.00000
      5     -21.2723      1.00000
      6     -21.2338      1.00000
      7     -21.0553      1.00000
      8     -20.1654      1.00000
      9     -20.1280      1.00000
     10     -19.6065      1.00000
     11     -19.5955      1.00000
     12     -19.4156      1.00000
     13     -19.0872      1.00000
     14     -19.0581      1.00000
     15     -19.0475      1.00000
     16     -19.0398      1.00000
     17     -18.3588      1.00000
     18     -18.3504      1.00000
     19     -18.0175      1.00000
     20     -17.0670      1.00000
     21     -17.0290      1.00000
     22     -16.9429      1.00000
     23     -16.9379      1.00000
     24     -16.4661      1.00000
     25     -16.4611      1.00000
     26     -15.6120      1.00000
     27     -15.6054      1.00000
     28     -15.2509      1.00000
     29     -15.2419      1.00000
     30     -15.1830      1.00000
     31     -15.0962      1.00000
     32     -15.0696      1.00000
     33     -14.6967      1.00000
     34     -14.6946      1.00000
     35     -13.7248      1.00000
     36     -13.7219      1.00000
     37     -13.2343      1.00000
     38     -12.6125      1.00000
     39     -12.5825      1.00000
     40     -12.4526      1.00000
     41     -12.4487      1.00000
     42     -12.1078      1.00000
     43     -12.1028      1.00000
     44     -11.7148      1.00000
     45     -11.6843      1.00000
     46     -11.2332      1.00000
     47     -11.2242      1.00000
     48     -11.0161      1.00000
     49     -11.0083      1.00000
     50     -10.9246      1.00000
     51     -10.9033      1.00000
     52     -10.6252      1.00000
     53     -10.1535      1.00000
     54     -10.1488      1.00000
     55     -10.0906      1.00000
     56      -9.9949      1.00000
     57      -9.7010      1.00000
     58      -9.6934      1.00000
     59      -9.6543      1.00000
     60      -9.5898      1.00000
     61      -9.5745      1.00000
     62      -9.5571      1.00000
     63      -9.3059      1.00000
     64      -9.3018      1.00000
     65      -9.2719      1.00000
     66      -9.2340      1.00000
     67      -9.1346      1.00000
     68      -9.1146      1.00000
     69      -9.1090      1.00000
     70      -8.9383      1.00000
     71      -8.8699      1.00000
     72      -8.6026      1.00000
     73      -8.5893      1.00000
     74      -8.2376      1.00000
     75      -8.0995      1.00000
     76      -7.9073      1.00000
     77      -7.8617      1.00000
     78      -7.7705      1.00000
     79      -7.7557      1.00000
     80      -7.6943      1.00000
     81      -7.5510      1.00000
     82      -7.3377      1.00000
     83      -7.3213      1.00000
     84      -7.2038      1.00000
     85      -7.1198      1.00000
     86      -7.0309      1.00000
     87      -7.0104      1.00000
     88      -6.7027      1.00000
     89      -6.6770      1.00000
     90      -6.6396      1.00000
     91      -6.5954      1.00000
     92      -6.1150      1.00000
     93      -6.0604      1.00000
     94      -6.0293      1.00000
     95      -6.0094      1.00000
     96      -5.7812      1.00000
     97      -4.9666      1.00000
     98      -4.8290      1.00000
     99      -4.7447      1.00000
    100      -4.6777      1.00000
    101      -4.4605      1.00000
    102      -4.1980      1.00000
    103      -4.1684      1.00000
    104      -4.1258      1.00000
    105      -3.7233      1.00000
    106      -3.4788      1.00000
    107      -1.8684      0.00000
    108      -1.8098      0.00000
    109      -1.5222      0.00000
    110      -1.3774      0.00000
    111      -1.3211      0.00000
    112      -1.2875      0.00000
    113      -0.7187      0.00000
    114      -0.3754      0.00000
    115      -0.2501      0.00000
    116       0.0355      0.00000
    117       0.5638      0.00000
    118       0.7002      0.00000
    119       0.7472      0.00000
    120       1.0483      0.00000
    121       1.1003      0.00000
    122       1.1547      0.00000
    123       1.2285      0.00000
    124       1.3874      0.00000
    125       1.5302      0.00000
    126       1.5988      0.00000
    127       1.7195      0.00000
    128       1.7872      0.00000
    129       1.8575      0.00000
    130       1.8839      0.00000
    131       2.0971      0.00000
    132       2.2039      0.00000
    133       2.2472      0.00000
    134       2.3222      0.00000
    135       2.5230      0.00000
    136       2.5907      0.00000
    137       2.6094      0.00000
    138       2.7707      0.00000
    139       2.7923      0.00000
    140       2.8100      0.00000
    141       2.8234      0.00000
    142       2.8936      0.00000
    143       2.9307      0.00000
    144       3.1046      0.00000
    145       3.1683      0.00000
    146       3.3102      0.00000
    147       3.3338      0.00000
    148       3.3878      0.00000
    149       3.4597      0.00000
    150       3.5878      0.00000
    151       3.6316      0.00000
    152       3.6512      0.00000
    153       3.7008      0.00000
    154       3.9117      0.00000
    155       3.9611      0.00000
    156       4.0218      0.00000
    157       4.0696      0.00000
    158       4.2296      0.00000
    159       4.2472      0.00000
    160       4.2802      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2811      1.00000
      2     -22.0761      1.00000
      3     -21.7145      1.00000
      4     -21.6833      1.00000
      5     -20.9770      1.00000
      6     -20.9374      1.00000
      7     -20.6095      1.00000
      8     -20.5735      1.00000
      9     -20.5676      1.00000
     10     -20.0310      1.00000
     11     -19.5013      1.00000
     12     -19.4896      1.00000
     13     -19.3050      1.00000
     14     -19.2998      1.00000
     15     -18.4456      1.00000
     16     -18.4096      1.00000
     17     -17.9206      1.00000
     18     -17.9110      1.00000
     19     -17.7595      1.00000
     20     -17.7245      1.00000
     21     -17.4344      1.00000
     22     -17.4266      1.00000
     23     -17.3396      1.00000
     24     -16.4609      1.00000
     25     -16.4596      1.00000
     26     -15.9652      1.00000
     27     -15.4120      1.00000
     28     -15.4070      1.00000
     29     -15.0944      1.00000
     30     -15.0914      1.00000
     31     -14.8536      1.00000
     32     -14.8459      1.00000
     33     -14.2885      1.00000
     34     -14.2561      1.00000
     35     -13.4349      1.00000
     36     -13.4028      1.00000
     37     -13.1758      1.00000
     38     -13.1720      1.00000
     39     -12.9799      1.00000
     40     -12.9750      1.00000
     41     -12.6117      1.00000
     42     -12.6078      1.00000
     43     -12.1963      1.00000
     44     -11.5741      1.00000
     45     -11.5407      1.00000
     46     -11.3084      1.00000
     47     -11.2858      1.00000
     48     -11.1406      1.00000
     49     -10.6729      1.00000
     50     -10.6589      1.00000
     51     -10.5474      1.00000
     52     -10.3222      1.00000
     53     -10.3157      1.00000
     54     -10.1687      1.00000
     55     -10.1134      1.00000
     56     -10.1102      1.00000
     57      -9.7958      1.00000
     58      -9.7637      1.00000
     59      -9.7495      1.00000
     60      -9.6981      1.00000
     61      -9.6965      1.00000
     62      -9.6598      1.00000
     63      -9.3537      1.00000
     64      -9.3491      1.00000
     65      -9.3133      1.00000
     66      -9.0383      1.00000
     67      -8.9612      1.00000
     68      -8.9476      1.00000
     69      -8.7969      1.00000
     70      -8.5919      1.00000
     71      -8.5569      1.00000
     72      -8.3955      1.00000
     73      -8.3633      1.00000
     74      -8.3228      1.00000
     75      -8.3050      1.00000
     76      -8.2573      1.00000
     77      -8.2560      1.00000
     78      -8.2345      1.00000
     79      -7.9071      1.00000
     80      -7.6500      1.00000
     81      -7.5401      1.00000
     82      -7.3850      1.00000
     83      -7.3479      1.00000
     84      -7.2299      1.00000
     85      -7.0967      1.00000
     86      -7.0361      1.00000
     87      -6.9332      1.00000
     88      -6.8443      1.00000
     89      -6.6106      1.00000
     90      -6.5579      1.00000
     91      -6.2680      1.00000
     92      -6.0407      1.00000
     93      -5.9498      1.00000
     94      -5.6606      1.00000
     95      -5.6205      1.00000
     96      -5.4585      1.00000
     97      -5.3176      1.00000
     98      -5.2772      1.00000
     99      -5.2126      1.00000
    100      -5.1920      1.00000
    101      -4.4975      1.00000
    102      -4.2015      1.00000
    103      -4.0535      1.00000
    104      -3.9870      1.00000
    105      -3.6893      1.00000
    106      -3.4890      1.00000
    107      -1.9447      0.00000
    108      -1.8973      0.00000
    109      -1.3354      0.00000
    110      -1.0846      0.00000
    111      -1.0581      0.00000
    112      -0.7994      0.00000
    113      -0.6780      0.00000
    114      -0.6462      0.00000
    115      -0.6066      0.00000
    116      -0.1089      0.00000
    117       0.2157      0.00000
    118       0.3283      0.00000
    119       0.7043      0.00000
    120       0.8933      0.00000
    121       1.1277      0.00000
    122       1.2000      0.00000
    123       1.3354      0.00000
    124       1.4308      0.00000
    125       1.5586      0.00000
    126       1.5791      0.00000
    127       1.6990      0.00000
    128       1.8055      0.00000
    129       1.8833      0.00000
    130       2.0524      0.00000
    131       2.1003      0.00000
    132       2.2884      0.00000
    133       2.3536      0.00000
    134       2.4165      0.00000
    135       2.5619      0.00000
    136       2.6359      0.00000
    137       2.7063      0.00000
    138       2.7394      0.00000
    139       2.7769      0.00000
    140       2.8769      0.00000
    141       3.0389      0.00000
    142       3.0661      0.00000
    143       3.1768      0.00000
    144       3.2715      0.00000
    145       3.3699      0.00000
    146       3.4240      0.00000
    147       3.4438      0.00000
    148       3.5568      0.00000
    149       3.5782      0.00000
    150       3.5981      0.00000
    151       3.6595      0.00000
    152       3.6810      0.00000
    153       3.7543      0.00000
    154       3.7606      0.00000
    155       3.8127      0.00000
    156       3.8929      0.00000
    157       3.9362      0.00000
    158       3.9983      0.00000
    159       4.2138      0.00000
    160       4.2298      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3152      1.00000
      2     -21.9603      1.00000
      3     -21.8924      1.00000
      4     -21.3788      1.00000
      5     -21.3500      1.00000
      6     -20.8374      1.00000
      7     -20.7732      1.00000
      8     -20.6225      1.00000
      9     -20.0755      1.00000
     10     -20.0700      1.00000
     11     -19.7151      1.00000
     12     -19.6908      1.00000
     13     -18.9944      1.00000
     14     -18.9887      1.00000
     15     -18.6385      1.00000
     16     -18.6227      1.00000
     17     -18.4607      1.00000
     18     -17.6732      1.00000
     19     -17.6236      1.00000
     20     -17.6208      1.00000
     21     -17.5795      1.00000
     22     -17.1247      1.00000
     23     -17.1032      1.00000
     24     -16.9597      1.00000
     25     -15.9995      1.00000
     26     -15.9275      1.00000
     27     -15.5839      1.00000
     28     -15.5837      1.00000
     29     -15.2854      1.00000
     30     -14.8622      1.00000
     31     -14.8351      1.00000
     32     -14.5774      1.00000
     33     -14.5362      1.00000
     34     -14.1662      1.00000
     35     -14.1531      1.00000
     36     -13.1462      1.00000
     37     -13.0987      1.00000
     38     -13.0287      1.00000
     39     -13.0185      1.00000
     40     -12.7076      1.00000
     41     -12.7036      1.00000
     42     -12.3390      1.00000
     43     -12.3083      1.00000
     44     -11.6338      1.00000
     45     -11.6203      1.00000
     46     -11.5701      1.00000
     47     -10.9470      1.00000
     48     -10.9146      1.00000
     49     -10.6284      1.00000
     50     -10.6232      1.00000
     51     -10.5440      1.00000
     52     -10.4973      1.00000
     53     -10.4969      1.00000
     54     -10.4383      1.00000
     55     -10.3595      1.00000
     56     -10.0966      1.00000
     57      -9.9020      1.00000
     58      -9.6075      1.00000
     59      -9.5558      1.00000
     60      -9.4510      1.00000
     61      -9.4099      1.00000
     62      -9.4026      1.00000
     63      -9.3763      1.00000
     64      -9.3762      1.00000
     65      -9.2846      1.00000
     66      -9.1666      1.00000
     67      -9.1412      1.00000
     68      -9.1125      1.00000
     69      -8.8622      1.00000
     70      -8.8550      1.00000
     71      -8.8136      1.00000
     72      -8.5955      1.00000
     73      -8.4785      1.00000
     74      -8.1970      1.00000
     75      -8.1617      1.00000
     76      -8.0113      1.00000
     77      -7.9550      1.00000
     78      -7.8497      1.00000
     79      -7.8394      1.00000
     80      -7.7047      1.00000
     81      -7.6951      1.00000
     82      -7.6233      1.00000
     83      -7.4432      1.00000
     84      -7.3040      1.00000
     85      -7.2447      1.00000
     86      -6.9043      1.00000
     87      -6.8911      1.00000
     88      -6.5874      1.00000
     89      -6.5487      1.00000
     90      -6.4057      1.00000
     91      -6.2515      1.00000
     92      -6.2306      1.00000
     93      -6.2033      1.00000
     94      -6.0210      1.00000
     95      -5.5473      1.00000
     96      -5.4864      1.00000
     97      -5.3468      1.00000
     98      -5.2187      1.00000
     99      -4.9772      1.00000
    100      -4.7265      1.00000
    101      -4.6751      1.00000
    102      -4.3814      1.00000
    103      -4.1969      1.00000
    104      -3.8624      1.00000
    105      -3.5443      1.00000
    106      -3.5003      1.00000
    107      -2.2568      0.00000
    108      -1.4531      0.00000
    109      -1.3718      0.00000
    110      -1.2416      0.00000
    111      -1.0962      0.00000
    112      -0.9446      0.00000
    113      -0.8633      0.00000
    114      -0.8028      0.00000
    115      -0.1404      0.00000
    116       0.1096      0.00000
    117       0.2412      0.00000
    118       0.3774      0.00000
    119       0.6629      0.00000
    120       0.8357      0.00000
    121       0.9372      0.00000
    122       1.0699      0.00000
    123       1.2464      0.00000
    124       1.4481      0.00000
    125       1.5743      0.00000
    126       1.7673      0.00000
    127       1.7893      0.00000
    128       1.8551      0.00000
    129       1.9932      0.00000
    130       2.0355      0.00000
    131       2.1798      0.00000
    132       2.1960      0.00000
    133       2.4014      0.00000
    134       2.4245      0.00000
    135       2.4904      0.00000
    136       2.6056      0.00000
    137       2.6332      0.00000
    138       2.7104      0.00000
    139       2.7705      0.00000
    140       2.8506      0.00000
    141       2.9693      0.00000
    142       3.0821      0.00000
    143       3.1631      0.00000
    144       3.1989      0.00000
    145       3.2324      0.00000
    146       3.3036      0.00000
    147       3.3219      0.00000
    148       3.4725      0.00000
    149       3.5221      0.00000
    150       3.7003      0.00000
    151       3.7255      0.00000
    152       3.7302      0.00000
    153       3.8698      0.00000
    154       3.8948      0.00000
    155       3.9469      0.00000
    156       3.9665      0.00000
    157       3.9875      0.00000
    158       4.0311      0.00000
    159       4.0395      0.00000
    160       4.0503      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2074      1.00000
      2     -22.1162      1.00000
      3     -21.9552      1.00000
      4     -21.4025      1.00000
      5     -21.0476      1.00000
      6     -21.0124      1.00000
      7     -20.4984      1.00000
      8     -20.4597      1.00000
      9     -20.2933      1.00000
     10     -20.2743      1.00000
     11     -19.9554      1.00000
     12     -19.8904      1.00000
     13     -18.8802      1.00000
     14     -18.8123      1.00000
     15     -18.3506      1.00000
     16     -18.3054      1.00000
     17     -18.1514      1.00000
     18     -18.1344      1.00000
     19     -17.8247      1.00000
     20     -17.7880      1.00000
     21     -17.2503      1.00000
     22     -17.2397      1.00000
     23     -17.1636      1.00000
     24     -17.1312      1.00000
     25     -16.1082      1.00000
     26     -15.8835      1.00000
     27     -15.8685      1.00000
     28     -15.8323      1.00000
     29     -15.2352      1.00000
     30     -14.5531      1.00000
     31     -14.5255      1.00000
     32     -14.2789      1.00000
     33     -13.9625      1.00000
     34     -13.9547      1.00000
     35     -13.8192      1.00000
     36     -13.8029      1.00000
     37     -13.6127      1.00000
     38     -13.5696      1.00000
     39     -13.3682      1.00000
     40     -12.6327      1.00000
     41     -12.1789      1.00000
     42     -12.1318      1.00000
     43     -12.0699      1.00000
     44     -12.0182      1.00000
     45     -11.6682      1.00000
     46     -11.6551      1.00000
     47     -11.1369      1.00000
     48     -11.1169      1.00000
     49     -10.7924      1.00000
     50     -10.7293      1.00000
     51     -10.5216      1.00000
     52     -10.2079      1.00000
     53     -10.2036      1.00000
     54     -10.1633      1.00000
     55     -10.0164      1.00000
     56     -10.0028      1.00000
     57      -9.9889      1.00000
     58      -9.8001      1.00000
     59      -9.7965      1.00000
     60      -9.7610      1.00000
     61      -9.7562      1.00000
     62      -9.4526      1.00000
     63      -9.4145      1.00000
     64      -9.0772      1.00000
     65      -9.0715      1.00000
     66      -9.0399      1.00000
     67      -8.9536      1.00000
     68      -8.8752      1.00000
     69      -8.7108      1.00000
     70      -8.6988      1.00000
     71      -8.5641      1.00000
     72      -8.5412      1.00000
     73      -8.4972      1.00000
     74      -8.4616      1.00000
     75      -8.4524      1.00000
     76      -8.2572      1.00000
     77      -8.1241      1.00000
     78      -8.0411      1.00000
     79      -7.9144      1.00000
     80      -7.8603      1.00000
     81      -7.6150      1.00000
     82      -7.5465      1.00000
     83      -7.4932      1.00000
     84      -7.2585      1.00000
     85      -6.9941      1.00000
     86      -6.9222      1.00000
     87      -6.8813      1.00000
     88      -6.5307      1.00000
     89      -6.4855      1.00000
     90      -6.4591      1.00000
     91      -6.4086      1.00000
     92      -5.9806      1.00000
     93      -5.8952      1.00000
     94      -5.7831      1.00000
     95      -5.7578      1.00000
     96      -5.4277      1.00000
     97      -5.3267      1.00000
     98      -5.2291      1.00000
     99      -5.2161      1.00000
    100      -5.1865      1.00000
    101      -4.6872      1.00000
    102      -4.4139      1.00000
    103      -4.2032      1.00000
    104      -3.8247      1.00000
    105      -3.5194      1.00000
    106      -3.2731      1.00000
    107      -2.5312      0.00000
    108      -1.4546      0.00000
    109      -1.2670      0.00000
    110      -1.2028      0.00000
    111      -1.1720      0.00000
    112      -0.7186      0.00000
    113      -0.5034      0.00000
    114      -0.4120      0.00000
    115      -0.3389      0.00000
    116      -0.1459      0.00000
    117      -0.0025      0.00000
    118       0.1926      0.00000
    119       0.5608      0.00000
    120       0.6130      0.00000
    121       0.8060      0.00000
    122       0.9152      0.00000
    123       1.1429      0.00000
    124       1.5058      0.00000
    125       1.6425      0.00000
    126       1.8732      0.00000
    127       1.9402      0.00000
    128       2.0914      0.00000
    129       2.1183      0.00000
    130       2.1312      0.00000
    131       2.1606      0.00000
    132       2.2806      0.00000
    133       2.3066      0.00000
    134       2.4477      0.00000
    135       2.5754      0.00000
    136       2.6661      0.00000
    137       2.8636      0.00000
    138       2.8729      0.00000
    139       2.9056      0.00000
    140       2.9963      0.00000
    141       3.0206      0.00000
    142       3.1345      0.00000
    143       3.1541      0.00000
    144       3.2224      0.00000
    145       3.2737      0.00000
    146       3.2926      0.00000
    147       3.3117      0.00000
    148       3.3554      0.00000
    149       3.4382      0.00000
    150       3.4549      0.00000
    151       3.5592      0.00000
    152       3.6166      0.00000
    153       3.6587      0.00000
    154       3.6995      0.00000
    155       3.7900      0.00000
    156       3.9062      0.00000
    157       3.9312      0.00000
    158       4.0110      0.00000
    159       4.1557      0.00000
    160       4.2368      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3150      1.00000
      2     -21.9619      1.00000
      3     -21.8908      1.00000
      4     -21.3825      1.00000
      5     -21.3467      1.00000
      6     -20.8372      1.00000
      7     -20.7717      1.00000
      8     -20.6230      1.00000
      9     -20.0875      1.00000
     10     -20.0593      1.00000
     11     -19.7166      1.00000
     12     -19.6881      1.00000
     13     -19.0076      1.00000
     14     -18.9772      1.00000
     15     -18.6479      1.00000
     16     -18.6159      1.00000
     17     -18.4588      1.00000
     18     -17.6584      1.00000
     19     -17.6446      1.00000
     20     -17.6089      1.00000
     21     -17.5764      1.00000
     22     -17.1351      1.00000
     23     -17.0960      1.00000
     24     -16.9647      1.00000
     25     -16.0068      1.00000
     26     -15.9212      1.00000
     27     -15.5968      1.00000
     28     -15.5738      1.00000
     29     -15.2779      1.00000
     30     -14.8746      1.00000
     31     -14.8285      1.00000
     32     -14.5728      1.00000
     33     -14.5351      1.00000
     34     -14.1625      1.00000
     35     -14.1581      1.00000
     36     -13.1604      1.00000
     37     -13.0940      1.00000
     38     -13.0214      1.00000
     39     -13.0167      1.00000
     40     -12.7158      1.00000
     41     -12.6930      1.00000
     42     -12.3389      1.00000
     43     -12.3119      1.00000
     44     -11.6300      1.00000
     45     -11.6209      1.00000
     46     -11.5684      1.00000
     47     -10.9392      1.00000
     48     -10.9211      1.00000
     49     -10.6633      1.00000
     50     -10.5887      1.00000
     51     -10.5708      1.00000
     52     -10.4998      1.00000
     53     -10.4864      1.00000
     54     -10.4377      1.00000
     55     -10.3541      1.00000
     56     -10.1008      1.00000
     57      -9.8963      1.00000
     58      -9.6062      1.00000
     59      -9.5494      1.00000
     60      -9.4513      1.00000
     61      -9.4172      1.00000
     62      -9.4071      1.00000
     63      -9.3784      1.00000
     64      -9.3701      1.00000
     65      -9.2655      1.00000
     66      -9.1636      1.00000
     67      -9.1399      1.00000
     68      -9.1143      1.00000
     69      -8.8645      1.00000
     70      -8.8588      1.00000
     71      -8.8005      1.00000
     72      -8.5944      1.00000
     73      -8.5233      1.00000
     74      -8.1919      1.00000
     75      -8.1692      1.00000
     76      -8.0770      1.00000
     77      -7.8566      1.00000
     78      -7.8351      1.00000
     79      -7.8186      1.00000
     80      -7.7089      1.00000
     81      -7.6948      1.00000
     82      -7.6000      1.00000
     83      -7.5217      1.00000
     84      -7.3502      1.00000
     85      -7.1626      1.00000
     86      -6.9040      1.00000
     87      -6.8942      1.00000
     88      -6.5916      1.00000
     89      -6.5491      1.00000
     90      -6.4043      1.00000
     91      -6.3004      1.00000
     92      -6.2461      1.00000
     93      -6.1999      1.00000
     94      -6.0014      1.00000
     95      -5.5286      1.00000
     96      -5.4633      1.00000
     97      -5.3110      1.00000
     98      -5.2080      1.00000
     99      -5.0426      1.00000
    100      -4.7199      1.00000
    101      -4.6684      1.00000
    102      -4.4160      1.00000
    103      -4.1893      1.00000
    104      -3.8340      1.00000
    105      -3.6292      1.00000
    106      -3.4116      1.00000
    107      -2.2912      0.00000
    108      -1.5065      0.00000
    109      -1.2696      0.00000
    110      -1.2625      0.00000
    111      -1.0332      0.00000
    112      -0.9781      0.00000
    113      -0.8678      0.00000
    114      -0.7995      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3595      0.00000
    119       0.6997      0.00000
    120       0.8949      0.00000
    121       0.9250      0.00000
    122       1.0475      0.00000
    123       1.1740      0.00000
    124       1.5155      0.00000
    125       1.5798      0.00000
    126       1.7139      0.00000
    127       1.7801      0.00000
    128       1.8249      0.00000
    129       1.9472      0.00000
    130       2.0085      0.00000
    131       2.1666      0.00000
    132       2.2815      0.00000
    133       2.4052      0.00000
    134       2.4342      0.00000
    135       2.4848      0.00000
    136       2.6029      0.00000
    137       2.6193      0.00000
    138       2.7149      0.00000
    139       2.7495      0.00000
    140       2.8746      0.00000
    141       3.0502      0.00000
    142       3.0818      0.00000
    143       3.1652      0.00000
    144       3.2098      0.00000
    145       3.2308      0.00000
    146       3.2933      0.00000
    147       3.3412      0.00000
    148       3.4594      0.00000
    149       3.5402      0.00000
    150       3.7031      0.00000
    151       3.7215      0.00000
    152       3.7558      0.00000
    153       3.8336      0.00000
    154       3.8783      0.00000
    155       3.9366      0.00000
    156       3.9730      0.00000
    157       3.9873      0.00000
    158       4.0194      0.00000
    159       4.0254      0.00000
    160       4.0808      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3873      1.00000
      2     -21.8283      1.00000
      3     -21.6393      1.00000
      4     -21.6050      1.00000
      5     -21.2765      1.00000
      6     -21.2304      1.00000
      7     -21.0548      1.00000
      8     -20.1690      1.00000
      9     -20.1238      1.00000
     10     -19.6149      1.00000
     11     -19.5894      1.00000
     12     -19.4136      1.00000
     13     -19.0923      1.00000
     14     -19.0541      1.00000
     15     -19.0504      1.00000
     16     -19.0369      1.00000
     17     -18.3649      1.00000
     18     -18.3457      1.00000
     19     -18.0145      1.00000
     20     -17.0694      1.00000
     21     -17.0218      1.00000
     22     -16.9481      1.00000
     23     -16.9346      1.00000
     24     -16.4734      1.00000
     25     -16.4618      1.00000
     26     -15.6078      1.00000
     27     -15.6072      1.00000
     28     -15.2476      1.00000
     29     -15.2358      1.00000
     30     -15.1889      1.00000
     31     -15.1000      1.00000
     32     -15.0665      1.00000
     33     -14.6967      1.00000
     34     -14.6958      1.00000
     35     -13.7233      1.00000
     36     -13.7233      1.00000
     37     -13.2330      1.00000
     38     -12.6223      1.00000
     39     -12.5781      1.00000
     40     -12.4527      1.00000
     41     -12.4473      1.00000
     42     -12.1033      1.00000
     43     -12.0984      1.00000
     44     -11.7199      1.00000
     45     -11.6821      1.00000
     46     -11.2440      1.00000
     47     -11.2230      1.00000
     48     -11.0153      1.00000
     49     -11.0039      1.00000
     50     -10.9259      1.00000
     51     -10.8978      1.00000
     52     -10.6313      1.00000
     53     -10.1703      1.00000
     54     -10.1476      1.00000
     55     -10.0831      1.00000
     56      -9.9873      1.00000
     57      -9.6938      1.00000
     58      -9.6871      1.00000
     59      -9.6692      1.00000
     60      -9.5909      1.00000
     61      -9.5672      1.00000
     62      -9.5509      1.00000
     63      -9.3104      1.00000
     64      -9.2980      1.00000
     65      -9.2800      1.00000
     66      -9.2423      1.00000
     67      -9.1204      1.00000
     68      -9.1102      1.00000
     69      -9.1091      1.00000
     70      -8.9377      1.00000
     71      -8.8747      1.00000
     72      -8.6029      1.00000
     73      -8.5857      1.00000
     74      -8.2705      1.00000
     75      -8.0990      1.00000
     76      -7.8670      1.00000
     77      -7.8419      1.00000
     78      -7.7889      1.00000
     79      -7.7634      1.00000
     80      -7.7533      1.00000
     81      -7.4361      1.00000
     82      -7.3332      1.00000
     83      -7.3206      1.00000
     84      -7.2640      1.00000
     85      -7.1650      1.00000
     86      -7.0143      1.00000
     87      -6.9838      1.00000
     88      -6.7157      1.00000
     89      -6.6908      1.00000
     90      -6.6298      1.00000
     91      -6.5878      1.00000
     92      -6.1155      1.00000
     93      -6.0575      1.00000
     94      -6.0430      1.00000
     95      -6.0272      1.00000
     96      -5.7459      1.00000
     97      -4.9668      1.00000
     98      -4.8361      1.00000
     99      -4.7069      1.00000
    100      -4.6719      1.00000
    101      -4.4765      1.00000
    102      -4.3443      1.00000
    103      -4.1099      1.00000
    104      -4.0529      1.00000
    105      -3.7483      1.00000
    106      -3.4573      1.00000
    107      -1.9477      0.00000
    108      -1.7705      0.00000
    109      -1.4798      0.00000
    110      -1.3546      0.00000
    111      -1.3367      0.00000
    112      -1.2915      0.00000
    113      -0.6786      0.00000
    114      -0.4705      0.00000
    115      -0.2348      0.00000
    116       0.0501      0.00000
    117       0.5980      0.00000
    118       0.6934      0.00000
    119       0.7690      0.00000
    120       1.0205      0.00000
    121       1.0978      0.00000
    122       1.1780      0.00000
    123       1.2524      0.00000
    124       1.3450      0.00000
    125       1.4488      0.00000
    126       1.6117      0.00000
    127       1.7398      0.00000
    128       1.8483      0.00000
    129       1.8557      0.00000
    130       1.8940      0.00000
    131       2.0340      0.00000
    132       2.2269      0.00000
    133       2.2534      0.00000
    134       2.3067      0.00000
    135       2.4825      0.00000
    136       2.5860      0.00000
    137       2.6387      0.00000
    138       2.7713      0.00000
    139       2.7775      0.00000
    140       2.8181      0.00000
    141       2.8389      0.00000
    142       2.8490      0.00000
    143       2.9158      0.00000
    144       3.1122      0.00000
    145       3.3077      0.00000
    146       3.3292      0.00000
    147       3.3661      0.00000
    148       3.4026      0.00000
    149       3.4171      0.00000
    150       3.5744      0.00000
    151       3.6147      0.00000
    152       3.6677      0.00000
    153       3.7342      0.00000
    154       3.8976      0.00000
    155       3.9325      0.00000
    156       3.9463      0.00000
    157       4.1072      0.00000
    158       4.2053      0.00000
    159       4.2441      0.00000
    160       4.2825      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2064      1.00000
      2     -22.1176      1.00000
      3     -21.9549      1.00000
      4     -21.4027      1.00000
      5     -21.0439      1.00000
      6     -21.0160      1.00000
      7     -20.4937      1.00000
      8     -20.4643      1.00000
      9     -20.2844      1.00000
     10     -20.2823      1.00000
     11     -19.9544      1.00000
     12     -19.8924      1.00000
     13     -18.8811      1.00000
     14     -18.8147      1.00000
     15     -18.3354      1.00000
     16     -18.3163      1.00000
     17     -18.1474      1.00000
     18     -18.1398      1.00000
     19     -17.8137      1.00000
     20     -17.7956      1.00000
     21     -17.2564      1.00000
     22     -17.2370      1.00000
     23     -17.1579      1.00000
     24     -17.1343      1.00000
     25     -16.1144      1.00000
     26     -15.8786      1.00000
     27     -15.8677      1.00000
     28     -15.8392      1.00000
     29     -15.2287      1.00000
     30     -14.5493      1.00000
     31     -14.5311      1.00000
     32     -14.2736      1.00000
     33     -13.9727      1.00000
     34     -13.9494      1.00000
     35     -13.8226      1.00000
     36     -13.8010      1.00000
     37     -13.6022      1.00000
     38     -13.5770      1.00000
     39     -13.3683      1.00000
     40     -12.6367      1.00000
     41     -12.1671      1.00000
     42     -12.1409      1.00000
     43     -12.0661      1.00000
     44     -12.0199      1.00000
     45     -11.6625      1.00000
     46     -11.6579      1.00000
     47     -11.1352      1.00000
     48     -11.1245      1.00000
     49     -10.7888      1.00000
     50     -10.7334      1.00000
     51     -10.5286      1.00000
     52     -10.2059      1.00000
     53     -10.1999      1.00000
     54     -10.1688      1.00000
     55     -10.0201      1.00000
     56      -9.9925      1.00000
     57      -9.9883      1.00000
     58      -9.8036      1.00000
     59      -9.7938      1.00000
     60      -9.7632      1.00000
     61      -9.7555      1.00000
     62      -9.4535      1.00000
     63      -9.4146      1.00000
     64      -9.0824      1.00000
     65      -9.0441      1.00000
     66      -9.0238      1.00000
     67      -8.9680      1.00000
     68      -8.8948      1.00000
     69      -8.7060      1.00000
     70      -8.6969      1.00000
     71      -8.5591      1.00000
     72      -8.5484      1.00000
     73      -8.4773      1.00000
     74      -8.4581      1.00000
     75      -8.4547      1.00000
     76      -8.3032      1.00000
     77      -8.0918      1.00000
     78      -8.0891      1.00000
     79      -7.9255      1.00000
     80      -7.8314      1.00000
     81      -7.5991      1.00000
     82      -7.5357      1.00000
     83      -7.4511      1.00000
     84      -7.2994      1.00000
     85      -6.9910      1.00000
     86      -6.9181      1.00000
     87      -6.8804      1.00000
     88      -6.5269      1.00000
     89      -6.5137      1.00000
     90      -6.4798      1.00000
     91      -6.4194      1.00000
     92      -5.9236      1.00000
     93      -5.9025      1.00000
     94      -5.7874      1.00000
     95      -5.7727      1.00000
     96      -5.3661      1.00000
     97      -5.3591      1.00000
     98      -5.2184      1.00000
     99      -5.2143      1.00000
    100      -5.1970      1.00000
    101      -4.7160      1.00000
    102      -4.4332      1.00000
    103      -4.1856      1.00000
    104      -3.8108      1.00000
    105      -3.5566      1.00000
    106      -3.2213      1.00000
    107      -2.5610      0.00000
    108      -1.4596      0.00000
    109      -1.2678      0.00000
    110      -1.1846      0.00000
    111      -1.1833      0.00000
    112      -0.6439      0.00000
    113      -0.5523      0.00000
    114      -0.4145      0.00000
    115      -0.3472      0.00000
    116      -0.0778      0.00000
    117      -0.0636      0.00000
    118       0.1261      0.00000
    119       0.5935      0.00000
    120       0.6277      0.00000
    121       0.8639      0.00000
    122       0.9977      0.00000
    123       1.0098      0.00000
    124       1.4982      0.00000
    125       1.6905      0.00000
    126       1.7957      0.00000
    127       1.8761      0.00000
    128       2.0871      0.00000
    129       2.1267      0.00000
    130       2.1707      0.00000
    131       2.2116      0.00000
    132       2.2483      0.00000
    133       2.3256      0.00000
    134       2.4797      0.00000
    135       2.5059      0.00000
    136       2.6767      0.00000
    137       2.8537      0.00000
    138       2.8628      0.00000
    139       2.9641      0.00000
    140       2.9833      0.00000
    141       3.0361      0.00000
    142       3.1452      0.00000
    143       3.1486      0.00000
    144       3.2405      0.00000
    145       3.2544      0.00000
    146       3.2830      0.00000
    147       3.3146      0.00000
    148       3.3656      0.00000
    149       3.4284      0.00000
    150       3.5611      0.00000
    151       3.5740      0.00000
    152       3.6479      0.00000
    153       3.6486      0.00000
    154       3.6683      0.00000
    155       3.7044      0.00000
    156       3.9096      0.00000
    157       3.9489      0.00000
    158       4.0463      0.00000
    159       4.1005      0.00000
    160       4.2026      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2806      1.00000
      2     -22.0767      1.00000
      3     -21.7180      1.00000
      4     -21.6796      1.00000
      5     -20.9803      1.00000
      6     -20.9336      1.00000
      7     -20.6089      1.00000
      8     -20.5773      1.00000
      9     -20.5641      1.00000
     10     -20.0302      1.00000
     11     -19.5111      1.00000
     12     -19.4819      1.00000
     13     -19.3098      1.00000
     14     -19.2970      1.00000
     15     -18.4471      1.00000
     16     -18.4048      1.00000
     17     -17.9257      1.00000
     18     -17.9058      1.00000
     19     -17.7633      1.00000
     20     -17.7192      1.00000
     21     -17.4398      1.00000
     22     -17.4218      1.00000
     23     -17.3359      1.00000
     24     -16.4695      1.00000
     25     -16.4595      1.00000
     26     -15.9683      1.00000
     27     -15.4092      1.00000
     28     -15.4084      1.00000
     29     -15.0943      1.00000
     30     -15.0913      1.00000
     31     -14.8508      1.00000
     32     -14.8389      1.00000
     33     -14.2958      1.00000
     34     -14.2521      1.00000
     35     -13.4423      1.00000
     36     -13.3984      1.00000
     37     -13.1733      1.00000
     38     -13.1720      1.00000
     39     -12.9835      1.00000
     40     -12.9746      1.00000
     41     -12.6090      1.00000
     42     -12.6069      1.00000
     43     -12.1945      1.00000
     44     -11.5777      1.00000
     45     -11.5374      1.00000
     46     -11.3118      1.00000
     47     -11.2821      1.00000
     48     -11.1395      1.00000
     49     -10.6896      1.00000
     50     -10.6614      1.00000
     51     -10.5424      1.00000
     52     -10.3197      1.00000
     53     -10.3124      1.00000
     54     -10.1734      1.00000
     55     -10.1197      1.00000
     56     -10.1072      1.00000
     57      -9.8090      1.00000
     58      -9.7499      1.00000
     59      -9.7496      1.00000
     60      -9.7004      1.00000
     61      -9.6967      1.00000
     62      -9.6449      1.00000
     63      -9.3505      1.00000
     64      -9.3492      1.00000
     65      -9.3173      1.00000
     66      -9.0255      1.00000
     67      -8.9591      1.00000
     68      -8.9553      1.00000
     69      -8.7737      1.00000
     70      -8.5911      1.00000
     71      -8.5840      1.00000
     72      -8.4208      1.00000
     73      -8.3477      1.00000
     74      -8.3201      1.00000
     75      -8.3008      1.00000
     76      -8.2642      1.00000
     77      -8.2532      1.00000
     78      -8.2384      1.00000
     79      -7.9237      1.00000
     80      -7.7342      1.00000
     81      -7.3777      1.00000
     82      -7.3475      1.00000
     83      -7.3099      1.00000
     84      -7.2153      1.00000
     85      -7.1578      1.00000
     86      -7.0669      1.00000
     87      -6.9590      1.00000
     88      -6.9060      1.00000
     89      -6.6128      1.00000
     90      -6.5545      1.00000
     91      -6.2705      1.00000
     92      -5.9933      1.00000
     93      -5.9573      1.00000
     94      -5.6728      1.00000
     95      -5.6462      1.00000
     96      -5.3836      1.00000
     97      -5.3125      1.00000
     98      -5.2914      1.00000
     99      -5.2105      1.00000
    100      -5.1989      1.00000
    101      -4.5014      1.00000
    102      -4.3302      1.00000
    103      -3.9939      1.00000
    104      -3.8834      1.00000
    105      -3.7861      1.00000
    106      -3.4363      1.00000
    107      -2.0317      0.00000
    108      -1.8627      0.00000
    109      -1.2158      0.00000
    110      -1.1844      0.00000
    111      -1.0352      0.00000
    112      -0.7716      0.00000
    113      -0.6788      0.00000
    114      -0.6590      0.00000
    115      -0.6088      0.00000
    116      -0.1032      0.00000
    117       0.2235      0.00000
    118       0.2390      0.00000
    119       0.7806      0.00000
    120       0.9931      0.00000
    121       1.0766      0.00000
    122       1.2433      0.00000
    123       1.2532      0.00000
    124       1.3468      0.00000
    125       1.5834      0.00000
    126       1.5862      0.00000
    127       1.7243      0.00000
    128       1.7884      0.00000
    129       1.9598      0.00000
    130       1.9858      0.00000
    131       2.0376      0.00000
    132       2.2491      0.00000
    133       2.3433      0.00000
    134       2.4349      0.00000
    135       2.5519      0.00000
    136       2.6341      0.00000
    137       2.7141      0.00000
    138       2.7794      0.00000
    139       2.8574      0.00000
    140       2.8600      0.00000
    141       3.0335      0.00000
    142       3.1129      0.00000
    143       3.1719      0.00000
    144       3.2238      0.00000
    145       3.3772      0.00000
    146       3.4212      0.00000
    147       3.5085      0.00000
    148       3.5470      0.00000
    149       3.5937      0.00000
    150       3.6040      0.00000
    151       3.6531      0.00000
    152       3.7416      0.00000
    153       3.7481      0.00000
    154       3.7589      0.00000
    155       3.7645      0.00000
    156       3.8779      0.00000
    157       4.0241      0.00000
    158       4.1013      0.00000
    159       4.1799      0.00000
    160       4.2219      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3919    4.1998   -1.2762   -0.2386   17.5972    0.1442   -0.5291    0.6315   -0.4639
x    -3.0927   -0.0373   -0.0631    0.0619   -0.0098   -2.9773   -0.0109   -0.0069    0.0048    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0088    0.0379    0.0383
y    -0.0453   -3.2455   -0.5413   -0.1636   -1.1867   -0.6059
z   204.0417    1.1005   -0.3113    0.0495    0.0198    0.0866   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1128    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8092
z    -0.2193    0.2315   -0.0550    0.0616   -0.0901    0.0008
 total charge-density along one line
x   212.0000  -10.2229    6.1483   -2.0864   -0.4744   19.5142   -0.9997    0.4784   -0.0480   -0.1244
x    -2.6460   -0.0276   -0.0609    0.0847   -0.0538   -2.2243   -0.0251   -0.0024    0.0051    0.0021
x    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2229    6.1483   -2.0864   -0.4744   19.5142   -0.9997    0.4784   -0.0480   -0.1244
y    -2.6460   -0.0276   -0.0609    0.0847   -0.0538   -2.2243   -0.0251   -0.0024    0.0051    0.0021
y    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3246  188.9007 -170.1591  154.0767 -140.5310  126.8367 -111.4616   95.1102  -79.3050
z    64.9245  -52.1243   41.0199  -31.9477   25.0712  -20.0008   15.9688  -12.3700    9.0930   -6.3658
z     4.3640   -2.9969    2.0116   -1.2199    0.5903   -0.1596   -0.0896    0.2451   -0.3845    0.5111
z    -0.5764    0.5533   -0.4732    0.3957   -0.3539    0.3356   -0.3104    0.2654   -0.2127    0.1706
z    -0.1440    0.1248   -0.1046    0.0830   -0.0653    0.0546   -0.0485    0.0427   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0002   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    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
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.001   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.627   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.131   0.000  -0.033  -0.278   0.081   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.587  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.627   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.278   0.000   0.587   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.081   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.030   8.932
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.866  89.422   8.030 142.318
 


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


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


    CHARGE:  VPU time   90.17: CPU time   45.46
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  362.28: CPU time  181.54
    STRESS:  VPU time 1090.44: CPU time  547.76
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force =-0.1800808E-05[-0.236E-05,-0.124E-05]  d Energy = 0.4024121E-05-0.582E-05
 d Force = 0.5832402E-01[ 0.583E-01, 0.583E-01]  d Ewald  = 0.2464182E+01-0.241E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726689 eV

  energy  without entropy=     -471.726689  energy(sigma->0) =     -471.726689
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40816.16  40774.29 -47513.70    -36.26      0.00      0.00
  Hartree  40241.36  40225.16 -39499.34    -14.03      0.00      0.00
  E(xc)     -779.42   -779.71   -807.36     -0.25      0.00      0.00
  Local   -83341.58 -83292.47  84327.88     42.53      0.00      0.00
  n-local   -216.84   -215.70   -203.52      0.72      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.42   3175.96   3583.79      3.37      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.17     -0.22     -0.50     -0.04      0.00      0.00
  in kB       -0.11     -0.13     -0.30     -0.02      0.00      0.00
  external pressure =       -0.18 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345631376  0.001219493  0.000000000     0.080995694  0.046752287  0.000000000
    -6.171766218 10.692236133  0.000000000    -0.000009238  0.093520473  0.000000000
     0.000000000  0.000000000 19.983813089     0.000000000  0.000000000  0.050040500

  length of vectors
    12.345631436 12.345631283 19.983813089     0.093520473  0.093520474  0.050040500


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.374E-05 -.493E-04 -.951E+03   0.420E-05 -.275E-04 0.959E+03   -.508E-20 -.256E-23 -.868E+01   -.529E-07 0.307E-07 -.611E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.194E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   -.345E-04 0.192E-04 -.902E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.194E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   0.345E-04 -.192E-04 -.902E-03
   -.202E+01 0.117E+01 0.137E+02   0.202E+01 -.117E+01 -.137E+02   -.489E-02 0.282E-02 -.326E-01   -.136E-03 0.757E-04 -.484E-03
   0.622E+01 0.680E+01 0.165E+02   -.623E+01 -.682E+01 -.165E+02   -.204E-02 0.232E-01 -.365E-01   0.165E-04 -.329E-03 -.155E-03
   0.111E+02 0.508E+01 0.165E+02   -.111E+02 -.509E+01 -.165E+02   0.208E-01 0.655E-02 -.500E-01   -.680E-03 0.142E-03 0.640E-03
   0.468E+01 -.887E+00 0.153E+02   -.470E+01 0.896E+00 -.153E+02   0.142E-01 -.781E-02 -.103E-01   -.153E-03 0.114E-04 0.961E-03
   -.305E+01 -.254E+01 0.138E+02   0.305E+01 0.254E+01 -.137E+02   0.143E-02 0.362E-02 -.420E-02   -.130E-03 -.194E-03 0.520E-03
   0.676E+00 0.391E+01 0.138E+02   -.677E+00 -.391E+01 -.137E+02   -.242E-02 -.305E-02 -.420E-02   0.978E-04 0.203E-03 0.517E-03
   0.245E+01 0.188E+02 0.225E+02   -.245E+01 -.189E+02 -.224E+02   0.117E-02 0.997E-01 -.477E-01   -.260E-03 0.347E-03 0.434E-03
   0.225E+02 0.213E+02 0.405E+02   -.226E+02 -.216E+02 -.404E+02   0.813E-01 0.255E+00 -.671E-01   -.965E-03 0.155E-03 0.237E-03
   0.266E+02 -.343E+01 0.259E+02   -.268E+02 0.354E+01 -.258E+02   0.265E+00 -.107E+00 -.435E-01   -.429E-03 -.107E-03 0.311E-03
   0.906E+01 -.523E+01 0.156E+02   -.910E+01 0.526E+01 -.156E+02   0.434E-01 -.251E-01 -.151E-01   -.495E-03 0.279E-03 0.508E-03
   0.311E+01 -.361E+01 0.153E+02   -.313E+01 0.362E+01 -.153E+02   0.139E-01 -.842E-02 -.103E-01   -.888E-04 0.123E-03 0.953E-03
   -.587E+01 0.135E+02 0.178E+02   0.587E+01 -.136E+02 -.177E+02   -.133E-02 0.711E-01 -.397E-01   -.654E-04 -.162E-03 0.523E-03
   -.118E+02 0.359E+02 0.467E+02   0.118E+02 -.365E+02 -.470E+02   -.276E-01 0.604E+00 0.297E+00   -.267E-03 -.608E-03 0.702E-03
   0.235E+02 -.135E+02 0.912E+02   -.241E+02 0.139E+02 -.932E+02   0.630E+00 -.364E+00 0.202E+01   -.268E-03 0.152E-03 0.116E-02
   0.162E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.258E+02   0.225E+00 -.176E+00 -.435E-01   -.124E-03 0.417E-03 0.307E-03
   0.116E+01 -.122E+02 0.165E+02   -.116E+01 0.122E+02 -.165E+02   0.474E-02 -.213E-01 -.500E-01   -.460E-03 0.516E-03 0.635E-03
   -.409E+01 0.189E+01 0.140E+02   0.409E+01 -.190E+01 -.140E+02   -.810E-03 0.958E-02 -.363E-01   0.107E-03 0.435E-04 0.897E-03
   -.191E+02 0.110E+02 0.227E+02   0.191E+02 -.110E+02 -.227E+02   -.509E-01 0.294E-01 -.394E-01   0.423E-04 -.207E-04 -.762E-04
   -.369E+02 -.771E+01 0.467E+02   0.375E+02 0.799E+01 -.470E+02   -.537E+00 -.278E+00 0.297E+00   0.396E-03 0.534E-03 0.705E-03
   -.722E+01 -.301E+02 0.405E+02   0.741E+01 0.303E+02 -.404E+02   -.180E+00 -.198E+00 -.671E-01   -.614E-03 0.754E-03 0.235E-03
   -.278E+01 -.879E+01 0.165E+02   0.279E+01 0.880E+01 -.165E+02   -.211E-01 -.986E-02 -.365E-01   0.295E-03 0.148E-03 -.156E-03
   0.142E+01 -.820E+00 0.131E+02   -.143E+01 0.823E+00 -.130E+02   0.187E-03 -.108E-03 -.276E-01   0.216E-04 -.104E-04 -.116E-03
   -.368E+01 0.260E+01 0.140E+02   0.369E+01 -.259E+01 -.140E+02   -.871E-02 -.409E-02 -.363E-01   0.178E-04 -.110E-03 0.901E-03
   -.146E+02 -.166E+01 0.178E+02   0.147E+02 0.169E+01 -.177E+02   -.622E-01 -.344E-01 -.397E-01   0.109E-03 0.136E-03 0.530E-03
   -.151E+02 -.115E+02 0.225E+02   0.152E+02 0.116E+02 -.224E+02   -.858E-01 -.509E-01 -.477E-01   -.428E-03 0.465E-04 0.436E-03
   0.278E+01 0.879E+01 0.165E+02   -.279E+01 -.880E+01 -.165E+02   0.211E-01 0.986E-02 -.365E-01   -.295E-03 -.148E-03 -.156E-03
   0.151E+02 0.115E+02 0.225E+02   -.152E+02 -.116E+02 -.224E+02   0.858E-01 0.509E-01 -.477E-01   0.428E-03 -.464E-04 0.436E-03
   0.146E+02 0.166E+01 0.178E+02   -.147E+02 -.169E+01 -.177E+02   0.622E-01 0.344E-01 -.397E-01   -.109E-03 -.136E-03 0.530E-03
   0.368E+01 -.260E+01 0.140E+02   -.369E+01 0.259E+01 -.140E+02   0.871E-02 0.409E-02 -.363E-01   -.178E-04 0.110E-03 0.901E-03
   -.142E+01 0.820E+00 0.131E+02   0.143E+01 -.823E+00 -.130E+02   -.187E-03 0.108E-03 -.276E-01   -.216E-04 0.104E-04 -.116E-03
   -.116E+01 0.122E+02 0.165E+02   0.116E+01 -.122E+02 -.165E+02   -.474E-02 0.213E-01 -.500E-01   0.460E-03 -.516E-03 0.635E-03
   0.722E+01 0.301E+02 0.405E+02   -.741E+01 -.303E+02 -.404E+02   0.180E+00 0.198E+00 -.671E-01   0.614E-03 -.754E-03 0.235E-03
   0.369E+02 0.771E+01 0.467E+02   -.375E+02 -.799E+01 -.470E+02   0.537E+00 0.278E+00 0.297E+00   -.396E-03 -.534E-03 0.705E-03
   0.191E+02 -.110E+02 0.227E+02   -.191E+02 0.110E+02 -.227E+02   0.509E-01 -.294E-01 -.394E-01   -.423E-04 0.207E-04 -.761E-04
   0.409E+01 -.189E+01 0.140E+02   -.409E+01 0.190E+01 -.140E+02   0.810E-03 -.958E-02 -.363E-01   -.107E-03 -.435E-04 0.897E-03
   -.311E+01 0.361E+01 0.153E+02   0.313E+01 -.362E+01 -.153E+02   -.139E-01 0.842E-02 -.103E-01   0.888E-04 -.123E-03 0.953E-03
   -.162E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.258E+02   -.225E+00 0.176E+00 -.435E-01   0.124E-03 -.417E-03 0.307E-03
   -.235E+02 0.135E+02 0.912E+02   0.241E+02 -.139E+02 -.932E+02   -.630E+00 0.364E+00 0.202E+01   0.268E-03 -.152E-03 0.116E-02
   0.118E+02 -.359E+02 0.467E+02   -.118E+02 0.365E+02 -.470E+02   0.276E-01 -.604E+00 0.297E+00   0.267E-03 0.608E-03 0.702E-03
   0.587E+01 -.135E+02 0.178E+02   -.587E+01 0.136E+02 -.177E+02   0.133E-02 -.711E-01 -.397E-01   0.654E-04 0.162E-03 0.523E-03
   -.676E+00 -.391E+01 0.138E+02   0.677E+00 0.391E+01 -.137E+02   0.242E-02 0.305E-02 -.420E-02   -.979E-04 -.203E-03 0.517E-03
   -.906E+01 0.523E+01 0.156E+02   0.910E+01 -.526E+01 -.156E+02   -.434E-01 0.251E-01 -.151E-01   0.495E-03 -.279E-03 0.508E-03
   -.266E+02 0.343E+01 0.259E+02   0.268E+02 -.354E+01 -.258E+02   -.265E+00 0.107E+00 -.435E-01   0.429E-03 0.107E-03 0.311E-03
   -.225E+02 -.213E+02 0.405E+02   0.226E+02 0.216E+02 -.404E+02   -.813E-01 -.255E+00 -.671E-01   0.965E-03 -.155E-03 0.237E-03
   -.245E+01 -.188E+02 0.225E+02   0.245E+01 0.189E+02 -.224E+02   -.117E-02 -.997E-01 -.477E-01   0.260E-03 -.347E-03 0.434E-03
   0.202E+01 -.117E+01 0.137E+02   -.202E+01 0.117E+01 -.137E+02   0.489E-02 -.282E-02 -.326E-01   0.136E-03 -.757E-04 -.484E-03
   0.305E+01 0.254E+01 0.138E+02   -.305E+01 -.254E+01 -.137E+02   -.143E-02 -.362E-02 -.420E-02   0.130E-03 0.194E-03 0.520E-03
   -.468E+01 0.887E+00 0.153E+02   0.470E+01 -.896E+00 -.153E+02   -.142E-01 0.781E-02 -.103E-01   0.153E-03 -.114E-04 0.961E-03
   -.111E+02 -.508E+01 0.165E+02   0.111E+02 0.509E+01 -.165E+02   -.208E-01 -.655E-02 -.500E-01   0.680E-03 -.142E-03 0.640E-03
   -.622E+01 -.680E+01 0.165E+02   0.623E+01 0.682E+01 -.165E+02   0.204E-02 -.232E-01 -.365E-01   -.165E-04 0.329E-03 -.155E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.298E-03 0.101E+02   -.362E-12 0.515E-13 -.256E-12   0.187E-15 -.104E-16 -.101E+02   -.507E-07 0.300E-07 0.143E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85244      6.05946     12.33785         0.000000      0.000000      0.013541
      1.07825      6.50644     13.60037         0.003643     -0.002104     -0.011332
      2.62663      5.61249     13.60037        -0.003643      0.002104     -0.011332
      0.00011     -0.00007      9.97869        -0.005844      0.003374     -0.009052
     -1.23457      2.13691      9.97909        -0.009527      0.006913     -0.005581
     -2.46984      4.27673      9.98513         0.002899     -0.002577      0.002985
     -3.70352      6.41547      9.98250        -0.003306      0.001041      0.006701
     -4.93733      8.55375      9.98007         0.000412      0.004332      0.003382
      2.46920      0.00020      9.98007        -0.003545     -0.002523      0.003382
      1.23399      2.13706      9.98347         0.001861     -0.005529     -0.002947
     -0.00254      4.27141      9.99684         0.009666     -0.007154     -0.003698
     -1.23811      6.41620     10.00871        -0.001081      0.000786     -0.004679
     -2.46874      8.55429      9.98629         0.000213     -0.000123      0.000668
      4.93792      0.00082      9.98250        -0.002555      0.002342      0.006701
      3.70438      2.13706      9.99092        -0.000718      0.001383      0.003298
      2.47021      4.26890     10.03023         0.003292      0.001974      0.000717
      1.22941      6.41917     10.04023        -0.001361      0.000786      0.008453
     -0.00178      8.55759     10.00871        -0.001222      0.000543     -0.004679
      7.40696      0.00180      9.98513         0.003682     -0.001222      0.002985
      6.17283      2.13920      9.98224        -0.002515     -0.000166      0.005418
      4.93940      4.27720     10.00033        -0.001095      0.000632     -0.003054
      3.71200      6.41974     10.03023        -0.000063     -0.003838      0.000717
      2.47345      8.55995      9.99684         0.011029     -0.004794     -0.003698
      9.87773      0.00193      9.97909        -0.010750      0.004794     -0.005581
      8.64213      2.13943      9.97889        -0.005208      0.003007     -0.003644
      7.40769      4.27803      9.98224        -0.001114      0.002261      0.005418
      6.17531      6.41684      9.99092        -0.001557     -0.000070      0.003298
      4.94011      8.55626      9.98347         0.005719      0.001152     -0.002947
     -0.00108      1.42476      9.97909         0.010750     -0.004794     -0.005581
     -1.23523      3.56266      9.98347        -0.005719     -0.001152     -0.002947
     -2.47043      5.70209      9.99092         0.001557      0.000070      0.003298
     -3.70281      7.84089      9.98224         0.001114     -0.002261      0.005418
     -4.93725      9.97949      9.97889         0.005208     -0.003007     -0.003644
      2.46969      1.42489      9.98513        -0.003682      0.001222      0.002985
      1.23143      3.55898      9.99684        -0.011029      0.004794     -0.003698
     -0.00712      5.69918     10.03023         0.000063      0.003838      0.000717
     -1.23452      7.84172     10.00033         0.001095     -0.000632     -0.003054
     -2.46795      9.97973      9.98224         0.002515      0.000166      0.005418
      4.93873      1.42587      9.98250         0.002555     -0.002342      0.006701
      3.70666      3.56133     10.00871         0.001222     -0.000543     -0.004679
      2.47547      5.69976     10.04023         0.001361     -0.000786      0.008453
      1.23467      7.85003     10.03023        -0.003292     -0.001974      0.000717
      0.00050      9.98186      9.99092         0.000718     -0.001383      0.003298
      7.40744      1.42649      9.98007         0.003545      0.002523      0.003382
      6.17361      3.56463      9.98629        -0.000213      0.000123      0.000668
      4.94299      5.70273     10.00871         0.001081     -0.000786     -0.004679
      3.70742      7.84752      9.99684        -0.009666      0.007154     -0.003698
      2.47089      9.98186      9.98347        -0.001861      0.005529     -0.002947
      9.87653      1.42675      9.97869         0.005844     -0.003374     -0.009052
      8.64221      3.56518      9.98007        -0.000412     -0.004332      0.003382
      7.40839      5.70346      9.98250         0.003306     -0.001041      0.006701
      6.17472      7.84220      9.98513        -0.002899      0.002577      0.002985
      4.93944      9.98201      9.97909         0.009527     -0.006913     -0.005581
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000298      0.005271


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




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


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  150.56: CPU time   75.37
     LOOP+:  VPU time 4309.17: CPU time 2200.68


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


    POTLOK:  VPU time    7.79: CPU time    7.72
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1157.73: CPU time  591.48
 BZINTS: Fermi energy: -3.204625;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.98: CPU time   45.43
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1255.96: CPU time  645.05

 eigenvalue-minimisations  :  4280
 total energy-change (2. order) :-0.4717267E+03  (-0.9608801E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9582355 magnetization   -0.0000111

 Broyden mixing:
  rms(total) = 0.52594E-03    rms(broyden)= 0.52588E-03
  rms(prec ) = 0.62001E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34075.52990066
  -1/2 Hartree   DENC   =    -40966.56527036
  -V(xc)+E(xc)   XCENC  =       726.56092247
  PAW double counting   =      4093.42568111    -4131.75159440
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.36618241
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72668933 eV

  energy without entropy =     -471.72668933  energy(sigma->0) =     -471.72668933


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




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


    POTLOK:  VPU time    7.71: CPU time    7.71
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1165.80: CPU time  596.13
 BZINTS: Fermi energy: -3.204907;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1173.85: CPU time  604.16

 eigenvalue-minimisations  :  4328
 total energy-change (2. order) : 0.9457262E-05  (-0.3395050E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9582355 magnetization   -0.0000111

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34075.52990066
  -1/2 Hartree   DENC   =    -40966.47207746
  -V(xc)+E(xc)   XCENC  =       726.55872072
  PAW double counting   =      4093.38585703    -4131.71172967
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.45720477
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72667988 eV

  energy without entropy =     -471.72667988  energy(sigma->0) =     -471.72667988


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2059       2 -39.5392       3 -39.5392       4 -58.3136       5 -58.3173
       6 -58.3201       7 -58.3148       8 -58.3150       9 -58.3150      10 -58.3212
      11 -58.3872      12 -58.3515      13 -58.3231      14 -58.3148      15 -58.3244
      16 -58.5402      17 -58.7269      18 -58.3516      19 -58.3201      20 -58.3199
      21 -58.3580      22 -58.5403      23 -58.3872      24 -58.3173      25 -58.3230
      26 -58.3199      27 -58.3244      28 -58.3212      29 -58.3172      30 -58.3211
      31 -58.3243      32 -58.3198      33 -58.3229      34 -58.3200      35 -58.3871
      36 -58.5402      37 -58.3579      38 -58.3198      39 -58.3146      40 -58.3514
      41 -58.7267      42 -58.5402      43 -58.3243      44 -58.3149      45 -58.3229
      46 -58.3514      47 -58.3871      48 -58.3211      49 -58.3134      50 -58.3149
      51 -58.3147      52 -58.3200      53 -58.3172
 
 
 
 E-fermi :  -3.2049     XC(G=0):  -2.3449     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4243      1.00000
      2     -21.5993      1.00000
      3     -21.4799      1.00000
      4     -21.4710      1.00000
      5     -21.4397      1.00000
      6     -21.4392      1.00000
      7     -21.4287      1.00000
      8     -19.7045      1.00000
      9     -19.6505      1.00000
     10     -19.6282      1.00000
     11     -19.6170      1.00000
     12     -19.6121      1.00000
     13     -19.6108      1.00000
     14     -18.7876      1.00000
     15     -18.7527      1.00000
     16     -18.7336      1.00000
     17     -18.7245      1.00000
     18     -18.7165      1.00000
     19     -18.7119      1.00000
     20     -16.6328      1.00000
     21     -16.6066      1.00000
     22     -16.5841      1.00000
     23     -16.5805      1.00000
     24     -16.5528      1.00000
     25     -16.5518      1.00000
     26     -15.6131      1.00000
     27     -15.6003      1.00000
     28     -15.5967      1.00000
     29     -15.5634      1.00000
     30     -15.5616      1.00000
     31     -15.5602      1.00000
     32     -14.2578      1.00000
     33     -14.2489      1.00000
     34     -14.2395      1.00000
     35     -14.2343      1.00000
     36     -14.2209      1.00000
     37     -14.2183      1.00000
     38     -11.9042      1.00000
     39     -11.8777      1.00000
     40     -11.8663      1.00000
     41     -11.8635      1.00000
     42     -11.8437      1.00000
     43     -11.8435      1.00000
     44     -11.7693      1.00000
     45     -11.7674      1.00000
     46     -11.7339      1.00000
     47     -11.7277      1.00000
     48     -11.7243      1.00000
     49     -11.7207      1.00000
     50     -10.6710      1.00000
     51     -10.3865      1.00000
     52     -10.3821      1.00000
     53     -10.3749      1.00000
     54     -10.3673      1.00000
     55     -10.3547      1.00000
     56     -10.3521      1.00000
     57      -9.8992      1.00000
     58      -9.4471      1.00000
     59      -9.4039      1.00000
     60      -9.3615      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1401      1.00000
     64      -9.1214      1.00000
     65      -9.1191      1.00000
     66      -9.0841      1.00000
     67      -9.0702      1.00000
     68      -9.0692      1.00000
     69      -9.0690      1.00000
     70      -9.0638      1.00000
     71      -9.0630      1.00000
     72      -9.0374      1.00000
     73      -9.0277      1.00000
     74      -9.0252      1.00000
     75      -8.1358      1.00000
     76      -7.7297      1.00000
     77      -7.4685      1.00000
     78      -7.4653      1.00000
     79      -7.4528      1.00000
     80      -7.4330      1.00000
     81      -7.4235      1.00000
     82      -7.4056      1.00000
     83      -7.3104      1.00000
     84      -7.2687      1.00000
     85      -7.2560      1.00000
     86      -7.2476      1.00000
     87      -7.1557      1.00000
     88      -7.0436      1.00000
     89      -6.4455      1.00000
     90      -6.4136      1.00000
     91      -6.3990      1.00000
     92      -6.3620      1.00000
     93      -6.3519      1.00000
     94      -6.3387      1.00000
     95      -5.9583      1.00000
     96      -5.9565      1.00000
     97      -4.7946      1.00000
     98      -4.5390      1.00000
     99      -4.4790      1.00000
    100      -4.4702      1.00000
    101      -4.3813      1.00000
    102      -4.3811      1.00000
    103      -4.2645      1.00000
    104      -4.1833      1.00000
    105      -3.7329      1.00000
    106      -3.4692      1.00000
    107      -1.8589      0.00000
    108      -1.6731      0.00000
    109      -1.6230      0.00000
    110      -1.5910      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4276      0.00000
    114       0.1433      0.00000
    115       0.1925      0.00000
    116       0.2558      0.00000
    117       0.2676      0.00000
    118       0.2711      0.00000
    119       0.4744      0.00000
    120       0.5598      0.00000
    121       1.2573      0.00000
    122       1.2911      0.00000
    123       1.5440      0.00000
    124       1.7592      0.00000
    125       1.7841      0.00000
    126       1.7868      0.00000
    127       1.7882      0.00000
    128       1.8345      0.00000
    129       1.9584      0.00000
    130       1.9726      0.00000
    131       1.9746      0.00000
    132       1.9889      0.00000
    133       1.9964      0.00000
    134       2.0882      0.00000
    135       2.2686      0.00000
    136       2.3354      0.00000
    137       2.6406      0.00000
    138       2.6410      0.00000
    139       2.6729      0.00000
    140       2.7109      0.00000
    141       2.9493      0.00000
    142       3.0135      0.00000
    143       3.0208      0.00000
    144       3.0440      0.00000
    145       3.0461      0.00000
    146       3.0473      0.00000
    147       3.0871      0.00000
    148       3.2787      0.00000
    149       3.4433      0.00000
    150       3.5190      0.00000
    151       3.8104      0.00000
    152       3.9515      0.00000
    153       3.9530      0.00000
    154       3.9542      0.00000
    155       3.9567      0.00000
    156       4.0014      0.00000
    157       4.1891      0.00000
    158       4.2696      0.00000
    159       4.2762      0.00000
    160       4.2914      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3876      1.00000
      2     -21.8284      1.00000
      3     -21.6365      1.00000
      4     -21.6091      1.00000
      5     -21.2726      1.00000
      6     -21.2341      1.00000
      7     -21.0557      1.00000
      8     -20.1657      1.00000
      9     -20.1283      1.00000
     10     -19.6068      1.00000
     11     -19.5959      1.00000
     12     -19.4159      1.00000
     13     -19.0876      1.00000
     14     -19.0585      1.00000
     15     -19.0479      1.00000
     16     -19.0401      1.00000
     17     -18.3592      1.00000
     18     -18.3507      1.00000
     19     -18.0179      1.00000
     20     -17.0674      1.00000
     21     -17.0294      1.00000
     22     -16.9433      1.00000
     23     -16.9382      1.00000
     24     -16.4665      1.00000
     25     -16.4615      1.00000
     26     -15.6123      1.00000
     27     -15.6057      1.00000
     28     -15.2512      1.00000
     29     -15.2423      1.00000
     30     -15.1834      1.00000
     31     -15.0966      1.00000
     32     -15.0700      1.00000
     33     -14.6970      1.00000
     34     -14.6949      1.00000
     35     -13.7252      1.00000
     36     -13.7223      1.00000
     37     -13.2347      1.00000
     38     -12.6129      1.00000
     39     -12.5830      1.00000
     40     -12.4530      1.00000
     41     -12.4491      1.00000
     42     -12.1083      1.00000
     43     -12.1032      1.00000
     44     -11.7152      1.00000
     45     -11.6847      1.00000
     46     -11.2336      1.00000
     47     -11.2247      1.00000
     48     -11.0165      1.00000
     49     -11.0087      1.00000
     50     -10.9249      1.00000
     51     -10.9036      1.00000
     52     -10.6254      1.00000
     53     -10.1539      1.00000
     54     -10.1492      1.00000
     55     -10.0911      1.00000
     56      -9.9951      1.00000
     57      -9.7013      1.00000
     58      -9.6938      1.00000
     59      -9.6546      1.00000
     60      -9.5902      1.00000
     61      -9.5749      1.00000
     62      -9.5575      1.00000
     63      -9.3064      1.00000
     64      -9.3022      1.00000
     65      -9.2722      1.00000
     66      -9.2344      1.00000
     67      -9.1349      1.00000
     68      -9.1152      1.00000
     69      -9.1094      1.00000
     70      -8.9385      1.00000
     71      -8.8703      1.00000
     72      -8.6031      1.00000
     73      -8.5897      1.00000
     74      -8.2379      1.00000
     75      -8.1000      1.00000
     76      -7.9076      1.00000
     77      -7.8621      1.00000
     78      -7.7710      1.00000
     79      -7.7562      1.00000
     80      -7.6946      1.00000
     81      -7.5513      1.00000
     82      -7.3382      1.00000
     83      -7.3218      1.00000
     84      -7.2040      1.00000
     85      -7.1201      1.00000
     86      -7.0312      1.00000
     87      -7.0108      1.00000
     88      -6.7030      1.00000
     89      -6.6772      1.00000
     90      -6.6400      1.00000
     91      -6.5957      1.00000
     92      -6.1155      1.00000
     93      -6.0607      1.00000
     94      -6.0297      1.00000
     95      -6.0097      1.00000
     96      -5.7816      1.00000
     97      -4.9669      1.00000
     98      -4.8293      1.00000
     99      -4.7450      1.00000
    100      -4.6780      1.00000
    101      -4.4608      1.00000
    102      -4.1982      1.00000
    103      -4.1687      1.00000
    104      -4.1261      1.00000
    105      -3.7236      1.00000
    106      -3.4791      1.00000
    107      -1.8687      0.00000
    108      -1.8101      0.00000
    109      -1.5226      0.00000
    110      -1.3778      0.00000
    111      -1.3215      0.00000
    112      -1.2879      0.00000
    113      -0.7191      0.00000
    114      -0.3758      0.00000
    115      -0.2505      0.00000
    116       0.0352      0.00000
    117       0.5633      0.00000
    118       0.6999      0.00000
    119       0.7467      0.00000
    120       1.0480      0.00000
    121       1.0999      0.00000
    122       1.1545      0.00000
    123       1.2283      0.00000
    124       1.3878      0.00000
    125       1.5301      0.00000
    126       1.5996      0.00000
    127       1.7200      0.00000
    128       1.7895      0.00000
    129       1.8572      0.00000
    130       1.8835      0.00000
    131       2.0970      0.00000
    132       2.2038      0.00000
    133       2.2472      0.00000
    134       2.3236      0.00000
    135       2.5246      0.00000
    136       2.5972      0.00000
    137       2.6111      0.00000
    138       2.7777      0.00000
    139       2.7926      0.00000
    140       2.8145      0.00000
    141       2.8236      0.00000
    142       2.8968      0.00000
    143       2.9317      0.00000
    144       3.1065      0.00000
    145       3.1706      0.00000
    146       3.3149      0.00000
    147       3.3383      0.00000
    148       3.3914      0.00000
    149       3.4660      0.00000
    150       3.5937      0.00000
    151       3.6389      0.00000
    152       3.6584      0.00000
    153       3.7066      0.00000
    154       3.9181      0.00000
    155       3.9633      0.00000
    156       4.0237      0.00000
    157       4.0700      0.00000
    158       4.2391      0.00000
    159       4.2531      0.00000
    160       4.2812      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2814      1.00000
      2     -22.0764      1.00000
      3     -21.7148      1.00000
      4     -21.6836      1.00000
      5     -20.9773      1.00000
      6     -20.9377      1.00000
      7     -20.6098      1.00000
      8     -20.5739      1.00000
      9     -20.5679      1.00000
     10     -20.0313      1.00000
     11     -19.5016      1.00000
     12     -19.4899      1.00000
     13     -19.3053      1.00000
     14     -19.3001      1.00000
     15     -18.4459      1.00000
     16     -18.4099      1.00000
     17     -17.9209      1.00000
     18     -17.9113      1.00000
     19     -17.7599      1.00000
     20     -17.7249      1.00000
     21     -17.4348      1.00000
     22     -17.4269      1.00000
     23     -17.3400      1.00000
     24     -16.4613      1.00000
     25     -16.4600      1.00000
     26     -15.9656      1.00000
     27     -15.4124      1.00000
     28     -15.4074      1.00000
     29     -15.0948      1.00000
     30     -15.0918      1.00000
     31     -14.8540      1.00000
     32     -14.8463      1.00000
     33     -14.2889      1.00000
     34     -14.2565      1.00000
     35     -13.4354      1.00000
     36     -13.4032      1.00000
     37     -13.1763      1.00000
     38     -13.1724      1.00000
     39     -12.9803      1.00000
     40     -12.9754      1.00000
     41     -12.6121      1.00000
     42     -12.6082      1.00000
     43     -12.1968      1.00000
     44     -11.5744      1.00000
     45     -11.5411      1.00000
     46     -11.3088      1.00000
     47     -11.2862      1.00000
     48     -11.1411      1.00000
     49     -10.6733      1.00000
     50     -10.6594      1.00000
     51     -10.5477      1.00000
     52     -10.3227      1.00000
     53     -10.3161      1.00000
     54     -10.1690      1.00000
     55     -10.1139      1.00000
     56     -10.1106      1.00000
     57      -9.7960      1.00000
     58      -9.7642      1.00000
     59      -9.7499      1.00000
     60      -9.6985      1.00000
     61      -9.6970      1.00000
     62      -9.6600      1.00000
     63      -9.3542      1.00000
     64      -9.3494      1.00000
     65      -9.3137      1.00000
     66      -9.0386      1.00000
     67      -8.9617      1.00000
     68      -8.9480      1.00000
     69      -8.7972      1.00000
     70      -8.5923      1.00000
     71      -8.5572      1.00000
     72      -8.3958      1.00000
     73      -8.3636      1.00000
     74      -8.3232      1.00000
     75      -8.3055      1.00000
     76      -8.2578      1.00000
     77      -8.2564      1.00000
     78      -8.2349      1.00000
     79      -7.9074      1.00000
     80      -7.6503      1.00000
     81      -7.5405      1.00000
     82      -7.3855      1.00000
     83      -7.3484      1.00000
     84      -7.2305      1.00000
     85      -7.0970      1.00000
     86      -7.0364      1.00000
     87      -6.9335      1.00000
     88      -6.8447      1.00000
     89      -6.6111      1.00000
     90      -6.5584      1.00000
     91      -6.2685      1.00000
     92      -6.0411      1.00000
     93      -5.9502      1.00000
     94      -5.6609      1.00000
     95      -5.6208      1.00000
     96      -5.4589      1.00000
     97      -5.3180      1.00000
     98      -5.2775      1.00000
     99      -5.2130      1.00000
    100      -5.1924      1.00000
    101      -4.4978      1.00000
    102      -4.2017      1.00000
    103      -4.0538      1.00000
    104      -3.9874      1.00000
    105      -3.6896      1.00000
    106      -3.4892      1.00000
    107      -1.9451      0.00000
    108      -1.8977      0.00000
    109      -1.3357      0.00000
    110      -1.0850      0.00000
    111      -1.0585      0.00000
    112      -0.7998      0.00000
    113      -0.6784      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1092      0.00000
    117       0.2152      0.00000
    118       0.3279      0.00000
    119       0.7038      0.00000
    120       0.8928      0.00000
    121       1.1274      0.00000
    122       1.1996      0.00000
    123       1.3353      0.00000
    124       1.4307      0.00000
    125       1.5583      0.00000
    126       1.5787      0.00000
    127       1.6995      0.00000
    128       1.8071      0.00000
    129       1.8847      0.00000
    130       2.0547      0.00000
    131       2.1031      0.00000
    132       2.2910      0.00000
    133       2.3533      0.00000
    134       2.4171      0.00000
    135       2.5632      0.00000
    136       2.6372      0.00000
    137       2.7109      0.00000
    138       2.7403      0.00000
    139       2.7828      0.00000
    140       2.8824      0.00000
    141       3.0470      0.00000
    142       3.0663      0.00000
    143       3.1786      0.00000
    144       3.2734      0.00000
    145       3.3702      0.00000
    146       3.4257      0.00000
    147       3.4467      0.00000
    148       3.5627      0.00000
    149       3.5822      0.00000
    150       3.6036      0.00000
    151       3.6603      0.00000
    152       3.6825      0.00000
    153       3.7597      0.00000
    154       3.7653      0.00000
    155       3.8140      0.00000
    156       3.8937      0.00000
    157       3.9380      0.00000
    158       3.9983      0.00000
    159       4.2176      0.00000
    160       4.2312      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3155      1.00000
      2     -21.9606      1.00000
      3     -21.8927      1.00000
      4     -21.3791      1.00000
      5     -21.3503      1.00000
      6     -20.8377      1.00000
      7     -20.7736      1.00000
      8     -20.6228      1.00000
      9     -20.0758      1.00000
     10     -20.0703      1.00000
     11     -19.7154      1.00000
     12     -19.6911      1.00000
     13     -18.9948      1.00000
     14     -18.9891      1.00000
     15     -18.6389      1.00000
     16     -18.6231      1.00000
     17     -18.4611      1.00000
     18     -17.6736      1.00000
     19     -17.6240      1.00000
     20     -17.6211      1.00000
     21     -17.5799      1.00000
     22     -17.1250      1.00000
     23     -17.1036      1.00000
     24     -16.9601      1.00000
     25     -15.9999      1.00000
     26     -15.9278      1.00000
     27     -15.5843      1.00000
     28     -15.5841      1.00000
     29     -15.2858      1.00000
     30     -14.8625      1.00000
     31     -14.8354      1.00000
     32     -14.5779      1.00000
     33     -14.5367      1.00000
     34     -14.1666      1.00000
     35     -14.1534      1.00000
     36     -13.1466      1.00000
     37     -13.0991      1.00000
     38     -13.0291      1.00000
     39     -13.0190      1.00000
     40     -12.7081      1.00000
     41     -12.7041      1.00000
     42     -12.3394      1.00000
     43     -12.3087      1.00000
     44     -11.6341      1.00000
     45     -11.6206      1.00000
     46     -11.5704      1.00000
     47     -10.9474      1.00000
     48     -10.9149      1.00000
     49     -10.6288      1.00000
     50     -10.6236      1.00000
     51     -10.5444      1.00000
     52     -10.4977      1.00000
     53     -10.4973      1.00000
     54     -10.4388      1.00000
     55     -10.3600      1.00000
     56     -10.0969      1.00000
     57      -9.9022      1.00000
     58      -9.6080      1.00000
     59      -9.5563      1.00000
     60      -9.4513      1.00000
     61      -9.4103      1.00000
     62      -9.4030      1.00000
     63      -9.3768      1.00000
     64      -9.3766      1.00000
     65      -9.2848      1.00000
     66      -9.1670      1.00000
     67      -9.1416      1.00000
     68      -9.1130      1.00000
     69      -8.8625      1.00000
     70      -8.8554      1.00000
     71      -8.8139      1.00000
     72      -8.5958      1.00000
     73      -8.4787      1.00000
     74      -8.1974      1.00000
     75      -8.1621      1.00000
     76      -8.0116      1.00000
     77      -7.9553      1.00000
     78      -7.8502      1.00000
     79      -7.8399      1.00000
     80      -7.7052      1.00000
     81      -7.6956      1.00000
     82      -7.6236      1.00000
     83      -7.4435      1.00000
     84      -7.3043      1.00000
     85      -7.2451      1.00000
     86      -6.9048      1.00000
     87      -6.8916      1.00000
     88      -6.5877      1.00000
     89      -6.5490      1.00000
     90      -6.4063      1.00000
     91      -6.2518      1.00000
     92      -6.2309      1.00000
     93      -6.2037      1.00000
     94      -6.0213      1.00000
     95      -5.5476      1.00000
     96      -5.4867      1.00000
     97      -5.3472      1.00000
     98      -5.2190      1.00000
     99      -4.9775      1.00000
    100      -4.7268      1.00000
    101      -4.6754      1.00000
    102      -4.3817      1.00000
    103      -4.1971      1.00000
    104      -3.8627      1.00000
    105      -3.5446      1.00000
    106      -3.5005      1.00000
    107      -2.2572      0.00000
    108      -1.4534      0.00000
    109      -1.3721      0.00000
    110      -1.2420      0.00000
    111      -1.0966      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1407      0.00000
    116       0.1093      0.00000
    117       0.2408      0.00000
    118       0.3770      0.00000
    119       0.6625      0.00000
    120       0.8353      0.00000
    121       0.9368      0.00000
    122       1.0695      0.00000
    123       1.2459      0.00000
    124       1.4483      0.00000
    125       1.5756      0.00000
    126       1.7669      0.00000
    127       1.7898      0.00000
    128       1.8570      0.00000
    129       1.9935      0.00000
    130       2.0367      0.00000
    131       2.1808      0.00000
    132       2.1966      0.00000
    133       2.4075      0.00000
    134       2.4258      0.00000
    135       2.4926      0.00000
    136       2.6052      0.00000
    137       2.6330      0.00000
    138       2.7100      0.00000
    139       2.7783      0.00000
    140       2.8518      0.00000
    141       2.9710      0.00000
    142       3.0872      0.00000
    143       3.1674      0.00000
    144       3.2032      0.00000
    145       3.2334      0.00000
    146       3.3176      0.00000
    147       3.3261      0.00000
    148       3.4746      0.00000
    149       3.5228      0.00000
    150       3.7000      0.00000
    151       3.7256      0.00000
    152       3.7304      0.00000
    153       3.8700      0.00000
    154       3.8983      0.00000
    155       3.9519      0.00000
    156       3.9716      0.00000
    157       3.9885      0.00000
    158       4.0337      0.00000
    159       4.0502      0.00000
    160       4.0535      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2077      1.00000
      2     -22.1165      1.00000
      3     -21.9555      1.00000
      4     -21.4028      1.00000
      5     -21.0480      1.00000
      6     -21.0127      1.00000
      7     -20.4987      1.00000
      8     -20.4600      1.00000
      9     -20.2936      1.00000
     10     -20.2746      1.00000
     11     -19.9557      1.00000
     12     -19.8907      1.00000
     13     -18.8805      1.00000
     14     -18.8126      1.00000
     15     -18.3510      1.00000
     16     -18.3057      1.00000
     17     -18.1518      1.00000
     18     -18.1348      1.00000
     19     -17.8251      1.00000
     20     -17.7883      1.00000
     21     -17.2507      1.00000
     22     -17.2401      1.00000
     23     -17.1640      1.00000
     24     -17.1315      1.00000
     25     -16.1086      1.00000
     26     -15.8839      1.00000
     27     -15.8688      1.00000
     28     -15.8327      1.00000
     29     -15.2356      1.00000
     30     -14.5535      1.00000
     31     -14.5259      1.00000
     32     -14.2793      1.00000
     33     -13.9629      1.00000
     34     -13.9551      1.00000
     35     -13.8196      1.00000
     36     -13.8033      1.00000
     37     -13.6131      1.00000
     38     -13.5700      1.00000
     39     -13.3685      1.00000
     40     -12.6331      1.00000
     41     -12.1794      1.00000
     42     -12.1322      1.00000
     43     -12.0703      1.00000
     44     -12.0185      1.00000
     45     -11.6687      1.00000
     46     -11.6555      1.00000
     47     -11.1373      1.00000
     48     -11.1173      1.00000
     49     -10.7928      1.00000
     50     -10.7297      1.00000
     51     -10.5219      1.00000
     52     -10.2084      1.00000
     53     -10.2040      1.00000
     54     -10.1635      1.00000
     55     -10.0169      1.00000
     56     -10.0031      1.00000
     57      -9.9893      1.00000
     58      -9.8006      1.00000
     59      -9.7970      1.00000
     60      -9.7614      1.00000
     61      -9.7567      1.00000
     62      -9.4530      1.00000
     63      -9.4147      1.00000
     64      -9.0775      1.00000
     65      -9.0720      1.00000
     66      -9.0403      1.00000
     67      -8.9540      1.00000
     68      -8.8754      1.00000
     69      -8.7113      1.00000
     70      -8.6993      1.00000
     71      -8.5645      1.00000
     72      -8.5416      1.00000
     73      -8.4975      1.00000
     74      -8.4621      1.00000
     75      -8.4528      1.00000
     76      -8.2575      1.00000
     77      -8.1244      1.00000
     78      -8.0414      1.00000
     79      -7.9149      1.00000
     80      -7.8606      1.00000
     81      -7.6153      1.00000
     82      -7.5468      1.00000
     83      -7.4935      1.00000
     84      -7.2588      1.00000
     85      -6.9946      1.00000
     86      -6.9228      1.00000
     87      -6.8818      1.00000
     88      -6.5311      1.00000
     89      -6.4860      1.00000
     90      -6.4594      1.00000
     91      -6.4089      1.00000
     92      -5.9809      1.00000
     93      -5.8955      1.00000
     94      -5.7834      1.00000
     95      -5.7581      1.00000
     96      -5.4281      1.00000
     97      -5.3270      1.00000
     98      -5.2294      1.00000
     99      -5.2164      1.00000
    100      -5.1868      1.00000
    101      -4.6875      1.00000
    102      -4.4142      1.00000
    103      -4.2034      1.00000
    104      -3.8250      1.00000
    105      -3.5197      1.00000
    106      -3.2734      1.00000
    107      -2.5315      0.00000
    108      -1.4549      0.00000
    109      -1.2674      0.00000
    110      -1.2031      0.00000
    111      -1.1724      0.00000
    112      -0.7189      0.00000
    113      -0.5038      0.00000
    114      -0.4124      0.00000
    115      -0.3393      0.00000
    116      -0.1463      0.00000
    117      -0.0029      0.00000
    118       0.1923      0.00000
    119       0.5604      0.00000
    120       0.6126      0.00000
    121       0.8057      0.00000
    122       0.9146      0.00000
    123       1.1424      0.00000
    124       1.5060      0.00000
    125       1.6433      0.00000
    126       1.8744      0.00000
    127       1.9411      0.00000
    128       2.0973      0.00000
    129       2.1190      0.00000
    130       2.1320      0.00000
    131       2.1625      0.00000
    132       2.2802      0.00000
    133       2.3095      0.00000
    134       2.4483      0.00000
    135       2.5759      0.00000
    136       2.6669      0.00000
    137       2.8637      0.00000
    138       2.8727      0.00000
    139       2.9063      0.00000
    140       3.0095      0.00000
    141       3.0277      0.00000
    142       3.1391      0.00000
    143       3.1546      0.00000
    144       3.2296      0.00000
    145       3.2760      0.00000
    146       3.2923      0.00000
    147       3.3118      0.00000
    148       3.3554      0.00000
    149       3.4388      0.00000
    150       3.4559      0.00000
    151       3.5605      0.00000
    152       3.6202      0.00000
    153       3.6630      0.00000
    154       3.7026      0.00000
    155       3.7901      0.00000
    156       3.9062      0.00000
    157       3.9395      0.00000
    158       4.0130      0.00000
    159       4.1569      0.00000
    160       4.2391      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3153      1.00000
      2     -21.9622      1.00000
      3     -21.8911      1.00000
      4     -21.3828      1.00000
      5     -21.3470      1.00000
      6     -20.8375      1.00000
      7     -20.7720      1.00000
      8     -20.6234      1.00000
      9     -20.0878      1.00000
     10     -20.0597      1.00000
     11     -19.7169      1.00000
     12     -19.6884      1.00000
     13     -19.0080      1.00000
     14     -18.9775      1.00000
     15     -18.6483      1.00000
     16     -18.6162      1.00000
     17     -18.4591      1.00000
     18     -17.6588      1.00000
     19     -17.6449      1.00000
     20     -17.6093      1.00000
     21     -17.5768      1.00000
     22     -17.1355      1.00000
     23     -17.0964      1.00000
     24     -16.9651      1.00000
     25     -16.0072      1.00000
     26     -15.9215      1.00000
     27     -15.5972      1.00000
     28     -15.5741      1.00000
     29     -15.2783      1.00000
     30     -14.8750      1.00000
     31     -14.8288      1.00000
     32     -14.5732      1.00000
     33     -14.5355      1.00000
     34     -14.1629      1.00000
     35     -14.1585      1.00000
     36     -13.1608      1.00000
     37     -13.0943      1.00000
     38     -13.0218      1.00000
     39     -13.0171      1.00000
     40     -12.7162      1.00000
     41     -12.6934      1.00000
     42     -12.3393      1.00000
     43     -12.3123      1.00000
     44     -11.6305      1.00000
     45     -11.6214      1.00000
     46     -11.5688      1.00000
     47     -10.9396      1.00000
     48     -10.9215      1.00000
     49     -10.6637      1.00000
     50     -10.5891      1.00000
     51     -10.5711      1.00000
     52     -10.5003      1.00000
     53     -10.4868      1.00000
     54     -10.4381      1.00000
     55     -10.3545      1.00000
     56     -10.1010      1.00000
     57      -9.8965      1.00000
     58      -9.6066      1.00000
     59      -9.5498      1.00000
     60      -9.4516      1.00000
     61      -9.4177      1.00000
     62      -9.4075      1.00000
     63      -9.3788      1.00000
     64      -9.3705      1.00000
     65      -9.2657      1.00000
     66      -9.1641      1.00000
     67      -9.1404      1.00000
     68      -9.1148      1.00000
     69      -8.8650      1.00000
     70      -8.8593      1.00000
     71      -8.8007      1.00000
     72      -8.5946      1.00000
     73      -8.5235      1.00000
     74      -8.1923      1.00000
     75      -8.1696      1.00000
     76      -8.0773      1.00000
     77      -7.8570      1.00000
     78      -7.8355      1.00000
     79      -7.8190      1.00000
     80      -7.7094      1.00000
     81      -7.6953      1.00000
     82      -7.6003      1.00000
     83      -7.5220      1.00000
     84      -7.3505      1.00000
     85      -7.1629      1.00000
     86      -6.9045      1.00000
     87      -6.8947      1.00000
     88      -6.5920      1.00000
     89      -6.5494      1.00000
     90      -6.4047      1.00000
     91      -6.3008      1.00000
     92      -6.2464      1.00000
     93      -6.2004      1.00000
     94      -6.0018      1.00000
     95      -5.5289      1.00000
     96      -5.4637      1.00000
     97      -5.3113      1.00000
     98      -5.2084      1.00000
     99      -5.0430      1.00000
    100      -4.7202      1.00000
    101      -4.6687      1.00000
    102      -4.4163      1.00000
    103      -4.1896      1.00000
    104      -3.8343      1.00000
    105      -3.6295      1.00000
    106      -3.4119      1.00000
    107      -2.2916      0.00000
    108      -1.5068      0.00000
    109      -1.2699      0.00000
    110      -1.2629      0.00000
    111      -1.0336      0.00000
    112      -0.9785      0.00000
    113      -0.8682      0.00000
    114      -0.7999      0.00000
    115      -0.2618      0.00000
    116       0.2040      0.00000
    117       0.2392      0.00000
    118       0.3592      0.00000
    119       0.6992      0.00000
    120       0.8945      0.00000
    121       0.9245      0.00000
    122       1.0472      0.00000
    123       1.1736      0.00000
    124       1.5154      0.00000
    125       1.5809      0.00000
    126       1.7143      0.00000
    127       1.7799      0.00000
    128       1.8257      0.00000
    129       1.9491      0.00000
    130       2.0093      0.00000
    131       2.1679      0.00000
    132       2.2828      0.00000
    133       2.4108      0.00000
    134       2.4352      0.00000
    135       2.4870      0.00000
    136       2.6026      0.00000
    137       2.6189      0.00000
    138       2.7148      0.00000
    139       2.7568      0.00000
    140       2.8763      0.00000
    141       3.0505      0.00000
    142       3.0869      0.00000
    143       3.1695      0.00000
    144       3.2152      0.00000
    145       3.2353      0.00000
    146       3.2983      0.00000
    147       3.3510      0.00000
    148       3.4611      0.00000
    149       3.5412      0.00000
    150       3.7029      0.00000
    151       3.7213      0.00000
    152       3.7567      0.00000
    153       3.8341      0.00000
    154       3.8831      0.00000
    155       3.9403      0.00000
    156       3.9780      0.00000
    157       3.9910      0.00000
    158       4.0218      0.00000
    159       4.0322      0.00000
    160       4.0805      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3876      1.00000
      2     -21.8286      1.00000
      3     -21.6396      1.00000
      4     -21.6053      1.00000
      5     -21.2768      1.00000
      6     -21.2307      1.00000
      7     -21.0551      1.00000
      8     -20.1693      1.00000
      9     -20.1241      1.00000
     10     -19.6152      1.00000
     11     -19.5897      1.00000
     12     -19.4139      1.00000
     13     -19.0927      1.00000
     14     -19.0544      1.00000
     15     -19.0508      1.00000
     16     -19.0373      1.00000
     17     -18.3653      1.00000
     18     -18.3460      1.00000
     19     -18.0149      1.00000
     20     -17.0697      1.00000
     21     -17.0222      1.00000
     22     -16.9484      1.00000
     23     -16.9349      1.00000
     24     -16.4738      1.00000
     25     -16.4622      1.00000
     26     -15.6082      1.00000
     27     -15.6075      1.00000
     28     -15.2480      1.00000
     29     -15.2362      1.00000
     30     -15.1892      1.00000
     31     -15.1004      1.00000
     32     -15.0668      1.00000
     33     -14.6971      1.00000
     34     -14.6962      1.00000
     35     -13.7237      1.00000
     36     -13.7237      1.00000
     37     -13.2334      1.00000
     38     -12.6227      1.00000
     39     -12.5786      1.00000
     40     -12.4530      1.00000
     41     -12.4477      1.00000
     42     -12.1037      1.00000
     43     -12.0988      1.00000
     44     -11.7204      1.00000
     45     -11.6825      1.00000
     46     -11.2444      1.00000
     47     -11.2235      1.00000
     48     -11.0157      1.00000
     49     -11.0042      1.00000
     50     -10.9263      1.00000
     51     -10.8982      1.00000
     52     -10.6315      1.00000
     53     -10.1707      1.00000
     54     -10.1480      1.00000
     55     -10.0835      1.00000
     56      -9.9876      1.00000
     57      -9.6942      1.00000
     58      -9.6874      1.00000
     59      -9.6695      1.00000
     60      -9.5913      1.00000
     61      -9.5676      1.00000
     62      -9.5512      1.00000
     63      -9.3108      1.00000
     64      -9.2984      1.00000
     65      -9.2803      1.00000
     66      -9.2429      1.00000
     67      -9.1207      1.00000
     68      -9.1106      1.00000
     69      -9.1095      1.00000
     70      -8.9379      1.00000
     71      -8.8752      1.00000
     72      -8.6035      1.00000
     73      -8.5862      1.00000
     74      -8.2707      1.00000
     75      -8.0993      1.00000
     76      -7.8675      1.00000
     77      -7.8422      1.00000
     78      -7.7892      1.00000
     79      -7.7638      1.00000
     80      -7.7538      1.00000
     81      -7.4365      1.00000
     82      -7.3336      1.00000
     83      -7.3210      1.00000
     84      -7.2643      1.00000
     85      -7.1653      1.00000
     86      -7.0149      1.00000
     87      -6.9841      1.00000
     88      -6.7160      1.00000
     89      -6.6912      1.00000
     90      -6.6300      1.00000
     91      -6.5881      1.00000
     92      -6.1159      1.00000
     93      -6.0579      1.00000
     94      -6.0433      1.00000
     95      -6.0277      1.00000
     96      -5.7462      1.00000
     97      -4.9672      1.00000
     98      -4.8364      1.00000
     99      -4.7072      1.00000
    100      -4.6722      1.00000
    101      -4.4768      1.00000
    102      -4.3446      1.00000
    103      -4.1103      1.00000
    104      -4.0532      1.00000
    105      -3.7486      1.00000
    106      -3.4576      1.00000
    107      -1.9481      0.00000
    108      -1.7709      0.00000
    109      -1.4801      0.00000
    110      -1.3550      0.00000
    111      -1.3371      0.00000
    112      -1.2920      0.00000
    113      -0.6789      0.00000
    114      -0.4708      0.00000
    115      -0.2352      0.00000
    116       0.0498      0.00000
    117       0.5974      0.00000
    118       0.6930      0.00000
    119       0.7686      0.00000
    120       1.0202      0.00000
    121       1.0974      0.00000
    122       1.1779      0.00000
    123       1.2523      0.00000
    124       1.3451      0.00000
    125       1.4488      0.00000
    126       1.6128      0.00000
    127       1.7425      0.00000
    128       1.8478      0.00000
    129       1.8555      0.00000
    130       1.8936      0.00000
    131       2.0343      0.00000
    132       2.2268      0.00000
    133       2.2536      0.00000
    134       2.3083      0.00000
    135       2.4837      0.00000
    136       2.5927      0.00000
    137       2.6398      0.00000
    138       2.7785      0.00000
    139       2.7795      0.00000
    140       2.8226      0.00000
    141       2.8387      0.00000
    142       2.8503      0.00000
    143       2.9172      0.00000
    144       3.1138      0.00000
    145       3.3118      0.00000
    146       3.3338      0.00000
    147       3.3694      0.00000
    148       3.4051      0.00000
    149       3.4236      0.00000
    150       3.5818      0.00000
    151       3.6239      0.00000
    152       3.6759      0.00000
    153       3.7373      0.00000
    154       3.9006      0.00000
    155       3.9346      0.00000
    156       3.9503      0.00000
    157       4.1078      0.00000
    158       4.2088      0.00000
    159       4.2546      0.00000
    160       4.2857      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2067      1.00000
      2     -22.1179      1.00000
      3     -21.9552      1.00000
      4     -21.4030      1.00000
      5     -21.0442      1.00000
      6     -21.0163      1.00000
      7     -20.4940      1.00000
      8     -20.4647      1.00000
      9     -20.2847      1.00000
     10     -20.2826      1.00000
     11     -19.9548      1.00000
     12     -19.8927      1.00000
     13     -18.8815      1.00000
     14     -18.8151      1.00000
     15     -18.3357      1.00000
     16     -18.3167      1.00000
     17     -18.1478      1.00000
     18     -18.1402      1.00000
     19     -17.8141      1.00000
     20     -17.7959      1.00000
     21     -17.2568      1.00000
     22     -17.2375      1.00000
     23     -17.1582      1.00000
     24     -17.1347      1.00000
     25     -16.1147      1.00000
     26     -15.8790      1.00000
     27     -15.8681      1.00000
     28     -15.8397      1.00000
     29     -15.2291      1.00000
     30     -14.5497      1.00000
     31     -14.5316      1.00000
     32     -14.2740      1.00000
     33     -13.9731      1.00000
     34     -13.9497      1.00000
     35     -13.8230      1.00000
     36     -13.8014      1.00000
     37     -13.6026      1.00000
     38     -13.5774      1.00000
     39     -13.3686      1.00000
     40     -12.6370      1.00000
     41     -12.1676      1.00000
     42     -12.1413      1.00000
     43     -12.0665      1.00000
     44     -12.0203      1.00000
     45     -11.6629      1.00000
     46     -11.6583      1.00000
     47     -11.1356      1.00000
     48     -11.1249      1.00000
     49     -10.7892      1.00000
     50     -10.7339      1.00000
     51     -10.5289      1.00000
     52     -10.2062      1.00000
     53     -10.2003      1.00000
     54     -10.1691      1.00000
     55     -10.0205      1.00000
     56      -9.9927      1.00000
     57      -9.9887      1.00000
     58      -9.8040      1.00000
     59      -9.7942      1.00000
     60      -9.7637      1.00000
     61      -9.7560      1.00000
     62      -9.4541      1.00000
     63      -9.4148      1.00000
     64      -9.0828      1.00000
     65      -9.0445      1.00000
     66      -9.0240      1.00000
     67      -8.9684      1.00000
     68      -8.8951      1.00000
     69      -8.7064      1.00000
     70      -8.6973      1.00000
     71      -8.5596      1.00000
     72      -8.5489      1.00000
     73      -8.4776      1.00000
     74      -8.4585      1.00000
     75      -8.4551      1.00000
     76      -8.3035      1.00000
     77      -8.0921      1.00000
     78      -8.0894      1.00000
     79      -7.9259      1.00000
     80      -7.8317      1.00000
     81      -7.5994      1.00000
     82      -7.5363      1.00000
     83      -7.4513      1.00000
     84      -7.2998      1.00000
     85      -6.9915      1.00000
     86      -6.9185      1.00000
     87      -6.8808      1.00000
     88      -6.5274      1.00000
     89      -6.5141      1.00000
     90      -6.4803      1.00000
     91      -6.4198      1.00000
     92      -5.9239      1.00000
     93      -5.9028      1.00000
     94      -5.7877      1.00000
     95      -5.7730      1.00000
     96      -5.3664      1.00000
     97      -5.3595      1.00000
     98      -5.2187      1.00000
     99      -5.2146      1.00000
    100      -5.1974      1.00000
    101      -4.7164      1.00000
    102      -4.4335      1.00000
    103      -4.1858      1.00000
    104      -3.8111      1.00000
    105      -3.5568      1.00000
    106      -3.2217      1.00000
    107      -2.5613      0.00000
    108      -1.4599      0.00000
    109      -1.2681      0.00000
    110      -1.1851      0.00000
    111      -1.1837      0.00000
    112      -0.6442      0.00000
    113      -0.5527      0.00000
    114      -0.4149      0.00000
    115      -0.3476      0.00000
    116      -0.0782      0.00000
    117      -0.0640      0.00000
    118       0.1258      0.00000
    119       0.5930      0.00000
    120       0.6273      0.00000
    121       0.8635      0.00000
    122       0.9972      0.00000
    123       1.0094      0.00000
    124       1.4983      0.00000
    125       1.6912      0.00000
    126       1.7972      0.00000
    127       1.8770      0.00000
    128       2.0931      0.00000
    129       2.1286      0.00000
    130       2.1725      0.00000
    131       2.2111      0.00000
    132       2.2484      0.00000
    133       2.3279      0.00000
    134       2.4809      0.00000
    135       2.5055      0.00000
    136       2.6779      0.00000
    137       2.8533      0.00000
    138       2.8626      0.00000
    139       2.9654      0.00000
    140       2.9970      0.00000
    141       3.0431      0.00000
    142       3.1486      0.00000
    143       3.1497      0.00000
    144       3.2497      0.00000
    145       3.2545      0.00000
    146       3.2834      0.00000
    147       3.3147      0.00000
    148       3.3654      0.00000
    149       3.4292      0.00000
    150       3.5626      0.00000
    151       3.5752      0.00000
    152       3.6512      0.00000
    153       3.6527      0.00000
    154       3.6699      0.00000
    155       3.7065      0.00000
    156       3.9093      0.00000
    157       3.9577      0.00000
    158       4.0484      0.00000
    159       4.1016      0.00000
    160       4.2045      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2809      1.00000
      2     -22.0770      1.00000
      3     -21.7183      1.00000
      4     -21.6799      1.00000
      5     -20.9806      1.00000
      6     -20.9339      1.00000
      7     -20.6092      1.00000
      8     -20.5776      1.00000
      9     -20.5644      1.00000
     10     -20.0306      1.00000
     11     -19.5114      1.00000
     12     -19.4822      1.00000
     13     -19.3102      1.00000
     14     -19.2974      1.00000
     15     -18.4474      1.00000
     16     -18.4052      1.00000
     17     -17.9260      1.00000
     18     -17.9062      1.00000
     19     -17.7636      1.00000
     20     -17.7196      1.00000
     21     -17.4402      1.00000
     22     -17.4222      1.00000
     23     -17.3362      1.00000
     24     -16.4700      1.00000
     25     -16.4600      1.00000
     26     -15.9686      1.00000
     27     -15.4096      1.00000
     28     -15.4088      1.00000
     29     -15.0947      1.00000
     30     -15.0917      1.00000
     31     -14.8512      1.00000
     32     -14.8393      1.00000
     33     -14.2962      1.00000
     34     -14.2525      1.00000
     35     -13.4427      1.00000
     36     -13.3988      1.00000
     37     -13.1738      1.00000
     38     -13.1724      1.00000
     39     -12.9838      1.00000
     40     -12.9750      1.00000
     41     -12.6094      1.00000
     42     -12.6073      1.00000
     43     -12.1948      1.00000
     44     -11.5782      1.00000
     45     -11.5379      1.00000
     46     -11.3123      1.00000
     47     -11.2825      1.00000
     48     -11.1399      1.00000
     49     -10.6900      1.00000
     50     -10.6619      1.00000
     51     -10.5427      1.00000
     52     -10.3201      1.00000
     53     -10.3128      1.00000
     54     -10.1736      1.00000
     55     -10.1202      1.00000
     56     -10.1077      1.00000
     57      -9.8093      1.00000
     58      -9.7503      1.00000
     59      -9.7499      1.00000
     60      -9.7008      1.00000
     61      -9.6971      1.00000
     62      -9.6451      1.00000
     63      -9.3509      1.00000
     64      -9.3496      1.00000
     65      -9.3178      1.00000
     66      -9.0258      1.00000
     67      -8.9595      1.00000
     68      -8.9557      1.00000
     69      -8.7740      1.00000
     70      -8.5916      1.00000
     71      -8.5843      1.00000
     72      -8.4210      1.00000
     73      -8.3480      1.00000
     74      -8.3205      1.00000
     75      -8.3012      1.00000
     76      -8.2647      1.00000
     77      -8.2537      1.00000
     78      -8.2390      1.00000
     79      -7.9240      1.00000
     80      -7.7345      1.00000
     81      -7.3781      1.00000
     82      -7.3480      1.00000
     83      -7.3103      1.00000
     84      -7.2157      1.00000
     85      -7.1582      1.00000
     86      -7.0672      1.00000
     87      -6.9593      1.00000
     88      -6.9063      1.00000
     89      -6.6134      1.00000
     90      -6.5549      1.00000
     91      -6.2710      1.00000
     92      -5.9936      1.00000
     93      -5.9576      1.00000
     94      -5.6731      1.00000
     95      -5.6465      1.00000
     96      -5.3840      1.00000
     97      -5.3129      1.00000
     98      -5.2917      1.00000
     99      -5.2108      1.00000
    100      -5.1992      1.00000
    101      -4.5017      1.00000
    102      -4.3304      1.00000
    103      -3.9942      1.00000
    104      -3.8837      1.00000
    105      -3.7864      1.00000
    106      -3.4365      1.00000
    107      -2.0320      0.00000
    108      -1.8631      0.00000
    109      -1.2161      0.00000
    110      -1.1848      0.00000
    111      -1.0356      0.00000
    112      -0.7720      0.00000
    113      -0.6791      0.00000
    114      -0.6594      0.00000
    115      -0.6092      0.00000
    116      -0.1035      0.00000
    117       0.2230      0.00000
    118       0.2387      0.00000
    119       0.7801      0.00000
    120       0.9926      0.00000
    121       1.0764      0.00000
    122       1.2428      0.00000
    123       1.2529      0.00000
    124       1.3467      0.00000
    125       1.5832      0.00000
    126       1.5858      0.00000
    127       1.7255      0.00000
    128       1.7899      0.00000
    129       1.9596      0.00000
    130       1.9874      0.00000
    131       2.0418      0.00000
    132       2.2521      0.00000
    133       2.3433      0.00000
    134       2.4352      0.00000
    135       2.5530      0.00000
    136       2.6353      0.00000
    137       2.7188      0.00000
    138       2.7848      0.00000
    139       2.8577      0.00000
    140       2.8662      0.00000
    141       3.0419      0.00000
    142       3.1129      0.00000
    143       3.1727      0.00000
    144       3.2269      0.00000
    145       3.3776      0.00000
    146       3.4222      0.00000
    147       3.5138      0.00000
    148       3.5553      0.00000
    149       3.5936      0.00000
    150       3.6085      0.00000
    151       3.6565      0.00000
    152       3.7428      0.00000
    153       3.7537      0.00000
    154       3.7595      0.00000
    155       3.7693      0.00000
    156       3.8784      0.00000
    157       4.0245      0.00000
    158       4.1030      0.00000
    159       4.1823      0.00000
    160       4.2233      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4243      1.00000
      2     -21.5993      1.00000
      3     -21.4799      1.00000
      4     -21.4710      1.00000
      5     -21.4397      1.00000
      6     -21.4392      1.00000
      7     -21.4287      1.00000
      8     -19.7045      1.00000
      9     -19.6505      1.00000
     10     -19.6282      1.00000
     11     -19.6170      1.00000
     12     -19.6121      1.00000
     13     -19.6108      1.00000
     14     -18.7876      1.00000
     15     -18.7527      1.00000
     16     -18.7336      1.00000
     17     -18.7245      1.00000
     18     -18.7165      1.00000
     19     -18.7119      1.00000
     20     -16.6328      1.00000
     21     -16.6066      1.00000
     22     -16.5841      1.00000
     23     -16.5805      1.00000
     24     -16.5528      1.00000
     25     -16.5518      1.00000
     26     -15.6131      1.00000
     27     -15.6003      1.00000
     28     -15.5967      1.00000
     29     -15.5634      1.00000
     30     -15.5616      1.00000
     31     -15.5602      1.00000
     32     -14.2578      1.00000
     33     -14.2489      1.00000
     34     -14.2395      1.00000
     35     -14.2343      1.00000
     36     -14.2209      1.00000
     37     -14.2183      1.00000
     38     -11.9042      1.00000
     39     -11.8777      1.00000
     40     -11.8663      1.00000
     41     -11.8635      1.00000
     42     -11.8437      1.00000
     43     -11.8435      1.00000
     44     -11.7693      1.00000
     45     -11.7674      1.00000
     46     -11.7339      1.00000
     47     -11.7277      1.00000
     48     -11.7243      1.00000
     49     -11.7207      1.00000
     50     -10.6710      1.00000
     51     -10.3865      1.00000
     52     -10.3821      1.00000
     53     -10.3749      1.00000
     54     -10.3673      1.00000
     55     -10.3547      1.00000
     56     -10.3521      1.00000
     57      -9.8992      1.00000
     58      -9.4471      1.00000
     59      -9.4039      1.00000
     60      -9.3615      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1401      1.00000
     64      -9.1214      1.00000
     65      -9.1191      1.00000
     66      -9.0841      1.00000
     67      -9.0702      1.00000
     68      -9.0692      1.00000
     69      -9.0690      1.00000
     70      -9.0638      1.00000
     71      -9.0630      1.00000
     72      -9.0374      1.00000
     73      -9.0277      1.00000
     74      -9.0252      1.00000
     75      -8.1358      1.00000
     76      -7.7297      1.00000
     77      -7.4685      1.00000
     78      -7.4653      1.00000
     79      -7.4528      1.00000
     80      -7.4330      1.00000
     81      -7.4235      1.00000
     82      -7.4056      1.00000
     83      -7.3104      1.00000
     84      -7.2687      1.00000
     85      -7.2560      1.00000
     86      -7.2476      1.00000
     87      -7.1557      1.00000
     88      -7.0436      1.00000
     89      -6.4455      1.00000
     90      -6.4136      1.00000
     91      -6.3990      1.00000
     92      -6.3620      1.00000
     93      -6.3519      1.00000
     94      -6.3387      1.00000
     95      -5.9583      1.00000
     96      -5.9565      1.00000
     97      -4.7946      1.00000
     98      -4.5390      1.00000
     99      -4.4790      1.00000
    100      -4.4701      1.00000
    101      -4.3813      1.00000
    102      -4.3811      1.00000
    103      -4.2645      1.00000
    104      -4.1833      1.00000
    105      -3.7329      1.00000
    106      -3.4691      1.00000
    107      -1.8589      0.00000
    108      -1.6731      0.00000
    109      -1.6230      0.00000
    110      -1.5910      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4276      0.00000
    114       0.1433      0.00000
    115       0.1925      0.00000
    116       0.2558      0.00000
    117       0.2676      0.00000
    118       0.2711      0.00000
    119       0.4744      0.00000
    120       0.5598      0.00000
    121       1.2573      0.00000
    122       1.2909      0.00000
    123       1.5440      0.00000
    124       1.7593      0.00000
    125       1.7841      0.00000
    126       1.7868      0.00000
    127       1.7881      0.00000
    128       1.8345      0.00000
    129       1.9584      0.00000
    130       1.9726      0.00000
    131       1.9746      0.00000
    132       1.9889      0.00000
    133       1.9964      0.00000
    134       2.0883      0.00000
    135       2.2685      0.00000
    136       2.3355      0.00000
    137       2.6405      0.00000
    138       2.6410      0.00000
    139       2.6729      0.00000
    140       2.7110      0.00000
    141       2.9494      0.00000
    142       3.0138      0.00000
    143       3.0209      0.00000
    144       3.0440      0.00000
    145       3.0462      0.00000
    146       3.0473      0.00000
    147       3.0870      0.00000
    148       3.2787      0.00000
    149       3.4433      0.00000
    150       3.5191      0.00000
    151       3.8105      0.00000
    152       3.9515      0.00000
    153       3.9531      0.00000
    154       3.9542      0.00000
    155       3.9567      0.00000
    156       4.0014      0.00000
    157       4.1893      0.00000
    158       4.2696      0.00000
    159       4.2761      0.00000
    160       4.2913      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3876      1.00000
      2     -21.8284      1.00000
      3     -21.6365      1.00000
      4     -21.6091      1.00000
      5     -21.2726      1.00000
      6     -21.2341      1.00000
      7     -21.0557      1.00000
      8     -20.1657      1.00000
      9     -20.1283      1.00000
     10     -19.6068      1.00000
     11     -19.5959      1.00000
     12     -19.4159      1.00000
     13     -19.0876      1.00000
     14     -19.0585      1.00000
     15     -19.0479      1.00000
     16     -19.0401      1.00000
     17     -18.3592      1.00000
     18     -18.3507      1.00000
     19     -18.0179      1.00000
     20     -17.0674      1.00000
     21     -17.0294      1.00000
     22     -16.9433      1.00000
     23     -16.9382      1.00000
     24     -16.4665      1.00000
     25     -16.4615      1.00000
     26     -15.6123      1.00000
     27     -15.6057      1.00000
     28     -15.2512      1.00000
     29     -15.2423      1.00000
     30     -15.1834      1.00000
     31     -15.0966      1.00000
     32     -15.0700      1.00000
     33     -14.6970      1.00000
     34     -14.6949      1.00000
     35     -13.7252      1.00000
     36     -13.7223      1.00000
     37     -13.2347      1.00000
     38     -12.6129      1.00000
     39     -12.5830      1.00000
     40     -12.4530      1.00000
     41     -12.4491      1.00000
     42     -12.1083      1.00000
     43     -12.1032      1.00000
     44     -11.7152      1.00000
     45     -11.6847      1.00000
     46     -11.2336      1.00000
     47     -11.2247      1.00000
     48     -11.0165      1.00000
     49     -11.0087      1.00000
     50     -10.9249      1.00000
     51     -10.9036      1.00000
     52     -10.6254      1.00000
     53     -10.1539      1.00000
     54     -10.1492      1.00000
     55     -10.0911      1.00000
     56      -9.9951      1.00000
     57      -9.7013      1.00000
     58      -9.6938      1.00000
     59      -9.6546      1.00000
     60      -9.5902      1.00000
     61      -9.5749      1.00000
     62      -9.5575      1.00000
     63      -9.3064      1.00000
     64      -9.3022      1.00000
     65      -9.2722      1.00000
     66      -9.2344      1.00000
     67      -9.1349      1.00000
     68      -9.1152      1.00000
     69      -9.1094      1.00000
     70      -8.9385      1.00000
     71      -8.8703      1.00000
     72      -8.6031      1.00000
     73      -8.5897      1.00000
     74      -8.2379      1.00000
     75      -8.1000      1.00000
     76      -7.9076      1.00000
     77      -7.8621      1.00000
     78      -7.7710      1.00000
     79      -7.7562      1.00000
     80      -7.6946      1.00000
     81      -7.5513      1.00000
     82      -7.3382      1.00000
     83      -7.3218      1.00000
     84      -7.2040      1.00000
     85      -7.1201      1.00000
     86      -7.0312      1.00000
     87      -7.0108      1.00000
     88      -6.7030      1.00000
     89      -6.6772      1.00000
     90      -6.6400      1.00000
     91      -6.5957      1.00000
     92      -6.1155      1.00000
     93      -6.0607      1.00000
     94      -6.0297      1.00000
     95      -6.0097      1.00000
     96      -5.7816      1.00000
     97      -4.9669      1.00000
     98      -4.8293      1.00000
     99      -4.7450      1.00000
    100      -4.6780      1.00000
    101      -4.4607      1.00000
    102      -4.1982      1.00000
    103      -4.1687      1.00000
    104      -4.1261      1.00000
    105      -3.7236      1.00000
    106      -3.4791      1.00000
    107      -1.8687      0.00000
    108      -1.8101      0.00000
    109      -1.5226      0.00000
    110      -1.3778      0.00000
    111      -1.3215      0.00000
    112      -1.2879      0.00000
    113      -0.7190      0.00000
    114      -0.3758      0.00000
    115      -0.2505      0.00000
    116       0.0352      0.00000
    117       0.5633      0.00000
    118       0.6999      0.00000
    119       0.7467      0.00000
    120       1.0480      0.00000
    121       1.0999      0.00000
    122       1.1545      0.00000
    123       1.2283      0.00000
    124       1.3877      0.00000
    125       1.5301      0.00000
    126       1.5996      0.00000
    127       1.7201      0.00000
    128       1.7895      0.00000
    129       1.8572      0.00000
    130       1.8835      0.00000
    131       2.0971      0.00000
    132       2.2038      0.00000
    133       2.2471      0.00000
    134       2.3236      0.00000
    135       2.5246      0.00000
    136       2.5973      0.00000
    137       2.6111      0.00000
    138       2.7778      0.00000
    139       2.7926      0.00000
    140       2.8146      0.00000
    141       2.8236      0.00000
    142       2.8968      0.00000
    143       2.9317      0.00000
    144       3.1064      0.00000
    145       3.1706      0.00000
    146       3.3149      0.00000
    147       3.3384      0.00000
    148       3.3914      0.00000
    149       3.4660      0.00000
    150       3.5938      0.00000
    151       3.6389      0.00000
    152       3.6585      0.00000
    153       3.7067      0.00000
    154       3.9181      0.00000
    155       3.9634      0.00000
    156       4.0237      0.00000
    157       4.0700      0.00000
    158       4.2392      0.00000
    159       4.2532      0.00000
    160       4.2812      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2814      1.00000
      2     -22.0764      1.00000
      3     -21.7148      1.00000
      4     -21.6836      1.00000
      5     -20.9773      1.00000
      6     -20.9377      1.00000
      7     -20.6098      1.00000
      8     -20.5739      1.00000
      9     -20.5679      1.00000
     10     -20.0313      1.00000
     11     -19.5016      1.00000
     12     -19.4899      1.00000
     13     -19.3053      1.00000
     14     -19.3001      1.00000
     15     -18.4459      1.00000
     16     -18.4099      1.00000
     17     -17.9209      1.00000
     18     -17.9113      1.00000
     19     -17.7599      1.00000
     20     -17.7249      1.00000
     21     -17.4348      1.00000
     22     -17.4269      1.00000
     23     -17.3400      1.00000
     24     -16.4613      1.00000
     25     -16.4600      1.00000
     26     -15.9656      1.00000
     27     -15.4124      1.00000
     28     -15.4074      1.00000
     29     -15.0948      1.00000
     30     -15.0918      1.00000
     31     -14.8540      1.00000
     32     -14.8463      1.00000
     33     -14.2889      1.00000
     34     -14.2565      1.00000
     35     -13.4354      1.00000
     36     -13.4032      1.00000
     37     -13.1763      1.00000
     38     -13.1724      1.00000
     39     -12.9803      1.00000
     40     -12.9754      1.00000
     41     -12.6121      1.00000
     42     -12.6082      1.00000
     43     -12.1968      1.00000
     44     -11.5744      1.00000
     45     -11.5411      1.00000
     46     -11.3088      1.00000
     47     -11.2862      1.00000
     48     -11.1411      1.00000
     49     -10.6733      1.00000
     50     -10.6594      1.00000
     51     -10.5477      1.00000
     52     -10.3227      1.00000
     53     -10.3161      1.00000
     54     -10.1690      1.00000
     55     -10.1139      1.00000
     56     -10.1106      1.00000
     57      -9.7960      1.00000
     58      -9.7642      1.00000
     59      -9.7499      1.00000
     60      -9.6985      1.00000
     61      -9.6970      1.00000
     62      -9.6600      1.00000
     63      -9.3542      1.00000
     64      -9.3494      1.00000
     65      -9.3137      1.00000
     66      -9.0386      1.00000
     67      -8.9617      1.00000
     68      -8.9480      1.00000
     69      -8.7972      1.00000
     70      -8.5923      1.00000
     71      -8.5572      1.00000
     72      -8.3958      1.00000
     73      -8.3636      1.00000
     74      -8.3232      1.00000
     75      -8.3055      1.00000
     76      -8.2578      1.00000
     77      -8.2564      1.00000
     78      -8.2349      1.00000
     79      -7.9074      1.00000
     80      -7.6503      1.00000
     81      -7.5404      1.00000
     82      -7.3855      1.00000
     83      -7.3484      1.00000
     84      -7.2305      1.00000
     85      -7.0970      1.00000
     86      -7.0363      1.00000
     87      -6.9335      1.00000
     88      -6.8446      1.00000
     89      -6.6111      1.00000
     90      -6.5584      1.00000
     91      -6.2685      1.00000
     92      -6.0410      1.00000
     93      -5.9502      1.00000
     94      -5.6609      1.00000
     95      -5.6208      1.00000
     96      -5.4589      1.00000
     97      -5.3180      1.00000
     98      -5.2775      1.00000
     99      -5.2130      1.00000
    100      -5.1923      1.00000
    101      -4.4977      1.00000
    102      -4.2017      1.00000
    103      -4.0538      1.00000
    104      -3.9874      1.00000
    105      -3.6895      1.00000
    106      -3.4892      1.00000
    107      -1.9451      0.00000
    108      -1.8977      0.00000
    109      -1.3357      0.00000
    110      -1.0850      0.00000
    111      -1.0585      0.00000
    112      -0.7998      0.00000
    113      -0.6784      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1092      0.00000
    117       0.2152      0.00000
    118       0.3279      0.00000
    119       0.7038      0.00000
    120       0.8928      0.00000
    121       1.1274      0.00000
    122       1.1996      0.00000
    123       1.3353      0.00000
    124       1.4306      0.00000
    125       1.5583      0.00000
    126       1.5787      0.00000
    127       1.6995      0.00000
    128       1.8072      0.00000
    129       1.8848      0.00000
    130       2.0548      0.00000
    131       2.1031      0.00000
    132       2.2911      0.00000
    133       2.3533      0.00000
    134       2.4171      0.00000
    135       2.5632      0.00000
    136       2.6372      0.00000
    137       2.7110      0.00000
    138       2.7403      0.00000
    139       2.7827      0.00000
    140       2.8824      0.00000
    141       3.0470      0.00000
    142       3.0663      0.00000
    143       3.1787      0.00000
    144       3.2734      0.00000
    145       3.3702      0.00000
    146       3.4257      0.00000
    147       3.4467      0.00000
    148       3.5627      0.00000
    149       3.5822      0.00000
    150       3.6037      0.00000
    151       3.6603      0.00000
    152       3.6824      0.00000
    153       3.7598      0.00000
    154       3.7654      0.00000
    155       3.8140      0.00000
    156       3.8937      0.00000
    157       3.9380      0.00000
    158       3.9985      0.00000
    159       4.2176      0.00000
    160       4.2312      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3155      1.00000
      2     -21.9606      1.00000
      3     -21.8927      1.00000
      4     -21.3791      1.00000
      5     -21.3503      1.00000
      6     -20.8377      1.00000
      7     -20.7736      1.00000
      8     -20.6228      1.00000
      9     -20.0758      1.00000
     10     -20.0703      1.00000
     11     -19.7154      1.00000
     12     -19.6911      1.00000
     13     -18.9948      1.00000
     14     -18.9891      1.00000
     15     -18.6389      1.00000
     16     -18.6231      1.00000
     17     -18.4611      1.00000
     18     -17.6736      1.00000
     19     -17.6240      1.00000
     20     -17.6211      1.00000
     21     -17.5799      1.00000
     22     -17.1250      1.00000
     23     -17.1036      1.00000
     24     -16.9601      1.00000
     25     -15.9999      1.00000
     26     -15.9278      1.00000
     27     -15.5843      1.00000
     28     -15.5841      1.00000
     29     -15.2858      1.00000
     30     -14.8625      1.00000
     31     -14.8354      1.00000
     32     -14.5779      1.00000
     33     -14.5367      1.00000
     34     -14.1666      1.00000
     35     -14.1534      1.00000
     36     -13.1466      1.00000
     37     -13.0991      1.00000
     38     -13.0291      1.00000
     39     -13.0190      1.00000
     40     -12.7081      1.00000
     41     -12.7041      1.00000
     42     -12.3394      1.00000
     43     -12.3087      1.00000
     44     -11.6341      1.00000
     45     -11.6206      1.00000
     46     -11.5704      1.00000
     47     -10.9474      1.00000
     48     -10.9149      1.00000
     49     -10.6288      1.00000
     50     -10.6236      1.00000
     51     -10.5444      1.00000
     52     -10.4977      1.00000
     53     -10.4973      1.00000
     54     -10.4388      1.00000
     55     -10.3600      1.00000
     56     -10.0969      1.00000
     57      -9.9022      1.00000
     58      -9.6080      1.00000
     59      -9.5563      1.00000
     60      -9.4513      1.00000
     61      -9.4103      1.00000
     62      -9.4030      1.00000
     63      -9.3768      1.00000
     64      -9.3766      1.00000
     65      -9.2848      1.00000
     66      -9.1670      1.00000
     67      -9.1416      1.00000
     68      -9.1130      1.00000
     69      -8.8625      1.00000
     70      -8.8554      1.00000
     71      -8.8139      1.00000
     72      -8.5958      1.00000
     73      -8.4787      1.00000
     74      -8.1974      1.00000
     75      -8.1621      1.00000
     76      -8.0115      1.00000
     77      -7.9553      1.00000
     78      -7.8502      1.00000
     79      -7.8399      1.00000
     80      -7.7052      1.00000
     81      -7.6956      1.00000
     82      -7.6236      1.00000
     83      -7.4435      1.00000
     84      -7.3043      1.00000
     85      -7.2450      1.00000
     86      -6.9048      1.00000
     87      -6.8916      1.00000
     88      -6.5877      1.00000
     89      -6.5490      1.00000
     90      -6.4063      1.00000
     91      -6.2518      1.00000
     92      -6.2309      1.00000
     93      -6.2037      1.00000
     94      -6.0213      1.00000
     95      -5.5476      1.00000
     96      -5.4867      1.00000
     97      -5.3472      1.00000
     98      -5.2190      1.00000
     99      -4.9775      1.00000
    100      -4.7268      1.00000
    101      -4.6754      1.00000
    102      -4.3816      1.00000
    103      -4.1971      1.00000
    104      -3.8627      1.00000
    105      -3.5446      1.00000
    106      -3.5005      1.00000
    107      -2.2572      0.00000
    108      -1.4534      0.00000
    109      -1.3721      0.00000
    110      -1.2420      0.00000
    111      -1.0966      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1407      0.00000
    116       0.1093      0.00000
    117       0.2408      0.00000
    118       0.3770      0.00000
    119       0.6625      0.00000
    120       0.8353      0.00000
    121       0.9368      0.00000
    122       1.0695      0.00000
    123       1.2459      0.00000
    124       1.4483      0.00000
    125       1.5756      0.00000
    126       1.7669      0.00000
    127       1.7898      0.00000
    128       1.8570      0.00000
    129       1.9936      0.00000
    130       2.0367      0.00000
    131       2.1808      0.00000
    132       2.1966      0.00000
    133       2.4076      0.00000
    134       2.4258      0.00000
    135       2.4927      0.00000
    136       2.6052      0.00000
    137       2.6330      0.00000
    138       2.7100      0.00000
    139       2.7783      0.00000
    140       2.8517      0.00000
    141       2.9710      0.00000
    142       3.0872      0.00000
    143       3.1676      0.00000
    144       3.2032      0.00000
    145       3.2334      0.00000
    146       3.3177      0.00000
    147       3.3262      0.00000
    148       3.4746      0.00000
    149       3.5228      0.00000
    150       3.7000      0.00000
    151       3.7256      0.00000
    152       3.7305      0.00000
    153       3.8700      0.00000
    154       3.8983      0.00000
    155       3.9519      0.00000
    156       3.9717      0.00000
    157       3.9885      0.00000
    158       4.0337      0.00000
    159       4.0503      0.00000
    160       4.0535      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2077      1.00000
      2     -22.1165      1.00000
      3     -21.9555      1.00000
      4     -21.4028      1.00000
      5     -21.0480      1.00000
      6     -21.0127      1.00000
      7     -20.4987      1.00000
      8     -20.4600      1.00000
      9     -20.2936      1.00000
     10     -20.2746      1.00000
     11     -19.9557      1.00000
     12     -19.8907      1.00000
     13     -18.8805      1.00000
     14     -18.8126      1.00000
     15     -18.3510      1.00000
     16     -18.3057      1.00000
     17     -18.1518      1.00000
     18     -18.1348      1.00000
     19     -17.8251      1.00000
     20     -17.7883      1.00000
     21     -17.2507      1.00000
     22     -17.2401      1.00000
     23     -17.1640      1.00000
     24     -17.1315      1.00000
     25     -16.1086      1.00000
     26     -15.8839      1.00000
     27     -15.8688      1.00000
     28     -15.8327      1.00000
     29     -15.2356      1.00000
     30     -14.5535      1.00000
     31     -14.5259      1.00000
     32     -14.2793      1.00000
     33     -13.9629      1.00000
     34     -13.9551      1.00000
     35     -13.8196      1.00000
     36     -13.8033      1.00000
     37     -13.6131      1.00000
     38     -13.5700      1.00000
     39     -13.3685      1.00000
     40     -12.6331      1.00000
     41     -12.1794      1.00000
     42     -12.1322      1.00000
     43     -12.0703      1.00000
     44     -12.0185      1.00000
     45     -11.6687      1.00000
     46     -11.6555      1.00000
     47     -11.1373      1.00000
     48     -11.1173      1.00000
     49     -10.7928      1.00000
     50     -10.7297      1.00000
     51     -10.5218      1.00000
     52     -10.2084      1.00000
     53     -10.2040      1.00000
     54     -10.1635      1.00000
     55     -10.0169      1.00000
     56     -10.0031      1.00000
     57      -9.9893      1.00000
     58      -9.8006      1.00000
     59      -9.7970      1.00000
     60      -9.7614      1.00000
     61      -9.7567      1.00000
     62      -9.4530      1.00000
     63      -9.4147      1.00000
     64      -9.0775      1.00000
     65      -9.0720      1.00000
     66      -9.0403      1.00000
     67      -8.9540      1.00000
     68      -8.8754      1.00000
     69      -8.7113      1.00000
     70      -8.6993      1.00000
     71      -8.5645      1.00000
     72      -8.5416      1.00000
     73      -8.4975      1.00000
     74      -8.4621      1.00000
     75      -8.4528      1.00000
     76      -8.2575      1.00000
     77      -8.1244      1.00000
     78      -8.0414      1.00000
     79      -7.9149      1.00000
     80      -7.8606      1.00000
     81      -7.6153      1.00000
     82      -7.5468      1.00000
     83      -7.4935      1.00000
     84      -7.2588      1.00000
     85      -6.9946      1.00000
     86      -6.9228      1.00000
     87      -6.8818      1.00000
     88      -6.5311      1.00000
     89      -6.4860      1.00000
     90      -6.4594      1.00000
     91      -6.4089      1.00000
     92      -5.9809      1.00000
     93      -5.8955      1.00000
     94      -5.7834      1.00000
     95      -5.7581      1.00000
     96      -5.4281      1.00000
     97      -5.3270      1.00000
     98      -5.2294      1.00000
     99      -5.2164      1.00000
    100      -5.1868      1.00000
    101      -4.6875      1.00000
    102      -4.4142      1.00000
    103      -4.2034      1.00000
    104      -3.8249      1.00000
    105      -3.5197      1.00000
    106      -3.2734      1.00000
    107      -2.5315      0.00000
    108      -1.4549      0.00000
    109      -1.2674      0.00000
    110      -1.2031      0.00000
    111      -1.1724      0.00000
    112      -0.7189      0.00000
    113      -0.5038      0.00000
    114      -0.4124      0.00000
    115      -0.3393      0.00000
    116      -0.1463      0.00000
    117      -0.0029      0.00000
    118       0.1923      0.00000
    119       0.5604      0.00000
    120       0.6126      0.00000
    121       0.8056      0.00000
    122       0.9146      0.00000
    123       1.1424      0.00000
    124       1.5060      0.00000
    125       1.6433      0.00000
    126       1.8744      0.00000
    127       1.9411      0.00000
    128       2.0974      0.00000
    129       2.1190      0.00000
    130       2.1320      0.00000
    131       2.1625      0.00000
    132       2.2802      0.00000
    133       2.3096      0.00000
    134       2.4484      0.00000
    135       2.5759      0.00000
    136       2.6669      0.00000
    137       2.8637      0.00000
    138       2.8727      0.00000
    139       2.9063      0.00000
    140       3.0095      0.00000
    141       3.0278      0.00000
    142       3.1392      0.00000
    143       3.1546      0.00000
    144       3.2296      0.00000
    145       3.2760      0.00000
    146       3.2924      0.00000
    147       3.3118      0.00000
    148       3.3554      0.00000
    149       3.4388      0.00000
    150       3.4559      0.00000
    151       3.5606      0.00000
    152       3.6201      0.00000
    153       3.6631      0.00000
    154       3.7026      0.00000
    155       3.7902      0.00000
    156       3.9062      0.00000
    157       3.9395      0.00000
    158       4.0130      0.00000
    159       4.1569      0.00000
    160       4.2391      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3153      1.00000
      2     -21.9622      1.00000
      3     -21.8911      1.00000
      4     -21.3828      1.00000
      5     -21.3470      1.00000
      6     -20.8375      1.00000
      7     -20.7720      1.00000
      8     -20.6234      1.00000
      9     -20.0878      1.00000
     10     -20.0597      1.00000
     11     -19.7169      1.00000
     12     -19.6884      1.00000
     13     -19.0080      1.00000
     14     -18.9775      1.00000
     15     -18.6483      1.00000
     16     -18.6162      1.00000
     17     -18.4591      1.00000
     18     -17.6588      1.00000
     19     -17.6449      1.00000
     20     -17.6093      1.00000
     21     -17.5768      1.00000
     22     -17.1355      1.00000
     23     -17.0964      1.00000
     24     -16.9651      1.00000
     25     -16.0072      1.00000
     26     -15.9215      1.00000
     27     -15.5972      1.00000
     28     -15.5741      1.00000
     29     -15.2783      1.00000
     30     -14.8750      1.00000
     31     -14.8288      1.00000
     32     -14.5732      1.00000
     33     -14.5355      1.00000
     34     -14.1629      1.00000
     35     -14.1585      1.00000
     36     -13.1608      1.00000
     37     -13.0943      1.00000
     38     -13.0218      1.00000
     39     -13.0171      1.00000
     40     -12.7162      1.00000
     41     -12.6934      1.00000
     42     -12.3393      1.00000
     43     -12.3123      1.00000
     44     -11.6305      1.00000
     45     -11.6214      1.00000
     46     -11.5688      1.00000
     47     -10.9396      1.00000
     48     -10.9215      1.00000
     49     -10.6637      1.00000
     50     -10.5891      1.00000
     51     -10.5711      1.00000
     52     -10.5003      1.00000
     53     -10.4868      1.00000
     54     -10.4381      1.00000
     55     -10.3545      1.00000
     56     -10.1010      1.00000
     57      -9.8965      1.00000
     58      -9.6066      1.00000
     59      -9.5498      1.00000
     60      -9.4516      1.00000
     61      -9.4177      1.00000
     62      -9.4075      1.00000
     63      -9.3788      1.00000
     64      -9.3705      1.00000
     65      -9.2657      1.00000
     66      -9.1641      1.00000
     67      -9.1404      1.00000
     68      -9.1148      1.00000
     69      -8.8650      1.00000
     70      -8.8593      1.00000
     71      -8.8007      1.00000
     72      -8.5946      1.00000
     73      -8.5235      1.00000
     74      -8.1923      1.00000
     75      -8.1696      1.00000
     76      -8.0773      1.00000
     77      -7.8570      1.00000
     78      -7.8355      1.00000
     79      -7.8190      1.00000
     80      -7.7094      1.00000
     81      -7.6953      1.00000
     82      -7.6003      1.00000
     83      -7.5220      1.00000
     84      -7.3505      1.00000
     85      -7.1629      1.00000
     86      -6.9045      1.00000
     87      -6.8947      1.00000
     88      -6.5920      1.00000
     89      -6.5494      1.00000
     90      -6.4047      1.00000
     91      -6.3008      1.00000
     92      -6.2464      1.00000
     93      -6.2004      1.00000
     94      -6.0018      1.00000
     95      -5.5289      1.00000
     96      -5.4637      1.00000
     97      -5.3113      1.00000
     98      -5.2084      1.00000
     99      -5.0430      1.00000
    100      -4.7202      1.00000
    101      -4.6687      1.00000
    102      -4.4163      1.00000
    103      -4.1895      1.00000
    104      -3.8342      1.00000
    105      -3.6295      1.00000
    106      -3.4119      1.00000
    107      -2.2916      0.00000
    108      -1.5068      0.00000
    109      -1.2699      0.00000
    110      -1.2629      0.00000
    111      -1.0336      0.00000
    112      -0.9785      0.00000
    113      -0.8682      0.00000
    114      -0.7999      0.00000
    115      -0.2618      0.00000
    116       0.2040      0.00000
    117       0.2392      0.00000
    118       0.3592      0.00000
    119       0.6992      0.00000
    120       0.8945      0.00000
    121       0.9245      0.00000
    122       1.0472      0.00000
    123       1.1736      0.00000
    124       1.5154      0.00000
    125       1.5810      0.00000
    126       1.7144      0.00000
    127       1.7800      0.00000
    128       1.8257      0.00000
    129       1.9492      0.00000
    130       2.0093      0.00000
    131       2.1680      0.00000
    132       2.2828      0.00000
    133       2.4108      0.00000
    134       2.4352      0.00000
    135       2.4871      0.00000
    136       2.6026      0.00000
    137       2.6189      0.00000
    138       2.7147      0.00000
    139       2.7568      0.00000
    140       2.8764      0.00000
    141       3.0505      0.00000
    142       3.0869      0.00000
    143       3.1695      0.00000
    144       3.2153      0.00000
    145       3.2354      0.00000
    146       3.2984      0.00000
    147       3.3510      0.00000
    148       3.4611      0.00000
    149       3.5412      0.00000
    150       3.7029      0.00000
    151       3.7212      0.00000
    152       3.7567      0.00000
    153       3.8341      0.00000
    154       3.8832      0.00000
    155       3.9403      0.00000
    156       3.9780      0.00000
    157       3.9910      0.00000
    158       4.0218      0.00000
    159       4.0322      0.00000
    160       4.0805      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3876      1.00000
      2     -21.8286      1.00000
      3     -21.6396      1.00000
      4     -21.6053      1.00000
      5     -21.2768      1.00000
      6     -21.2307      1.00000
      7     -21.0551      1.00000
      8     -20.1693      1.00000
      9     -20.1241      1.00000
     10     -19.6152      1.00000
     11     -19.5897      1.00000
     12     -19.4139      1.00000
     13     -19.0927      1.00000
     14     -19.0544      1.00000
     15     -19.0508      1.00000
     16     -19.0373      1.00000
     17     -18.3653      1.00000
     18     -18.3460      1.00000
     19     -18.0149      1.00000
     20     -17.0697      1.00000
     21     -17.0222      1.00000
     22     -16.9484      1.00000
     23     -16.9349      1.00000
     24     -16.4738      1.00000
     25     -16.4622      1.00000
     26     -15.6082      1.00000
     27     -15.6075      1.00000
     28     -15.2480      1.00000
     29     -15.2362      1.00000
     30     -15.1892      1.00000
     31     -15.1004      1.00000
     32     -15.0668      1.00000
     33     -14.6971      1.00000
     34     -14.6962      1.00000
     35     -13.7237      1.00000
     36     -13.7237      1.00000
     37     -13.2334      1.00000
     38     -12.6227      1.00000
     39     -12.5786      1.00000
     40     -12.4530      1.00000
     41     -12.4477      1.00000
     42     -12.1037      1.00000
     43     -12.0988      1.00000
     44     -11.7204      1.00000
     45     -11.6825      1.00000
     46     -11.2444      1.00000
     47     -11.2235      1.00000
     48     -11.0157      1.00000
     49     -11.0042      1.00000
     50     -10.9263      1.00000
     51     -10.8982      1.00000
     52     -10.6315      1.00000
     53     -10.1707      1.00000
     54     -10.1480      1.00000
     55     -10.0835      1.00000
     56      -9.9876      1.00000
     57      -9.6942      1.00000
     58      -9.6874      1.00000
     59      -9.6695      1.00000
     60      -9.5913      1.00000
     61      -9.5676      1.00000
     62      -9.5512      1.00000
     63      -9.3108      1.00000
     64      -9.2984      1.00000
     65      -9.2803      1.00000
     66      -9.2429      1.00000
     67      -9.1207      1.00000
     68      -9.1106      1.00000
     69      -9.1095      1.00000
     70      -8.9379      1.00000
     71      -8.8752      1.00000
     72      -8.6035      1.00000
     73      -8.5862      1.00000
     74      -8.2707      1.00000
     75      -8.0993      1.00000
     76      -7.8675      1.00000
     77      -7.8422      1.00000
     78      -7.7892      1.00000
     79      -7.7638      1.00000
     80      -7.7538      1.00000
     81      -7.4364      1.00000
     82      -7.3336      1.00000
     83      -7.3210      1.00000
     84      -7.2643      1.00000
     85      -7.1653      1.00000
     86      -7.0149      1.00000
     87      -6.9841      1.00000
     88      -6.7160      1.00000
     89      -6.6911      1.00000
     90      -6.6300      1.00000
     91      -6.5881      1.00000
     92      -6.1159      1.00000
     93      -6.0579      1.00000
     94      -6.0433      1.00000
     95      -6.0277      1.00000
     96      -5.7462      1.00000
     97      -4.9672      1.00000
     98      -4.8364      1.00000
     99      -4.7072      1.00000
    100      -4.6722      1.00000
    101      -4.4768      1.00000
    102      -4.3446      1.00000
    103      -4.1102      1.00000
    104      -4.0532      1.00000
    105      -3.7486      1.00000
    106      -3.4576      1.00000
    107      -1.9481      0.00000
    108      -1.7709      0.00000
    109      -1.4801      0.00000
    110      -1.3550      0.00000
    111      -1.3371      0.00000
    112      -1.2920      0.00000
    113      -0.6789      0.00000
    114      -0.4708      0.00000
    115      -0.2352      0.00000
    116       0.0498      0.00000
    117       0.5974      0.00000
    118       0.6930      0.00000
    119       0.7686      0.00000
    120       1.0202      0.00000
    121       1.0974      0.00000
    122       1.1779      0.00000
    123       1.2522      0.00000
    124       1.3451      0.00000
    125       1.4488      0.00000
    126       1.6128      0.00000
    127       1.7426      0.00000
    128       1.8478      0.00000
    129       1.8555      0.00000
    130       1.8936      0.00000
    131       2.0343      0.00000
    132       2.2269      0.00000
    133       2.2535      0.00000
    134       2.3083      0.00000
    135       2.4838      0.00000
    136       2.5927      0.00000
    137       2.6398      0.00000
    138       2.7785      0.00000
    139       2.7795      0.00000
    140       2.8226      0.00000
    141       2.8387      0.00000
    142       2.8504      0.00000
    143       2.9174      0.00000
    144       3.1138      0.00000
    145       3.3119      0.00000
    146       3.3338      0.00000
    147       3.3694      0.00000
    148       3.4051      0.00000
    149       3.4236      0.00000
    150       3.5818      0.00000
    151       3.6239      0.00000
    152       3.6759      0.00000
    153       3.7373      0.00000
    154       3.9006      0.00000
    155       3.9347      0.00000
    156       3.9504      0.00000
    157       4.1078      0.00000
    158       4.2088      0.00000
    159       4.2546      0.00000
    160       4.2857      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2067      1.00000
      2     -22.1179      1.00000
      3     -21.9552      1.00000
      4     -21.4030      1.00000
      5     -21.0442      1.00000
      6     -21.0163      1.00000
      7     -20.4940      1.00000
      8     -20.4647      1.00000
      9     -20.2847      1.00000
     10     -20.2826      1.00000
     11     -19.9548      1.00000
     12     -19.8927      1.00000
     13     -18.8815      1.00000
     14     -18.8151      1.00000
     15     -18.3357      1.00000
     16     -18.3167      1.00000
     17     -18.1478      1.00000
     18     -18.1402      1.00000
     19     -17.8141      1.00000
     20     -17.7959      1.00000
     21     -17.2568      1.00000
     22     -17.2375      1.00000
     23     -17.1582      1.00000
     24     -17.1347      1.00000
     25     -16.1147      1.00000
     26     -15.8790      1.00000
     27     -15.8681      1.00000
     28     -15.8397      1.00000
     29     -15.2291      1.00000
     30     -14.5497      1.00000
     31     -14.5316      1.00000
     32     -14.2740      1.00000
     33     -13.9731      1.00000
     34     -13.9497      1.00000
     35     -13.8230      1.00000
     36     -13.8014      1.00000
     37     -13.6026      1.00000
     38     -13.5774      1.00000
     39     -13.3686      1.00000
     40     -12.6370      1.00000
     41     -12.1676      1.00000
     42     -12.1413      1.00000
     43     -12.0665      1.00000
     44     -12.0203      1.00000
     45     -11.6629      1.00000
     46     -11.6583      1.00000
     47     -11.1356      1.00000
     48     -11.1249      1.00000
     49     -10.7892      1.00000
     50     -10.7339      1.00000
     51     -10.5289      1.00000
     52     -10.2062      1.00000
     53     -10.2003      1.00000
     54     -10.1691      1.00000
     55     -10.0205      1.00000
     56      -9.9927      1.00000
     57      -9.9887      1.00000
     58      -9.8040      1.00000
     59      -9.7942      1.00000
     60      -9.7637      1.00000
     61      -9.7560      1.00000
     62      -9.4541      1.00000
     63      -9.4148      1.00000
     64      -9.0828      1.00000
     65      -9.0445      1.00000
     66      -9.0240      1.00000
     67      -8.9684      1.00000
     68      -8.8951      1.00000
     69      -8.7064      1.00000
     70      -8.6973      1.00000
     71      -8.5596      1.00000
     72      -8.5489      1.00000
     73      -8.4776      1.00000
     74      -8.4585      1.00000
     75      -8.4551      1.00000
     76      -8.3035      1.00000
     77      -8.0921      1.00000
     78      -8.0894      1.00000
     79      -7.9259      1.00000
     80      -7.8317      1.00000
     81      -7.5994      1.00000
     82      -7.5363      1.00000
     83      -7.4513      1.00000
     84      -7.2998      1.00000
     85      -6.9915      1.00000
     86      -6.9185      1.00000
     87      -6.8808      1.00000
     88      -6.5274      1.00000
     89      -6.5141      1.00000
     90      -6.4803      1.00000
     91      -6.4198      1.00000
     92      -5.9239      1.00000
     93      -5.9028      1.00000
     94      -5.7877      1.00000
     95      -5.7730      1.00000
     96      -5.3664      1.00000
     97      -5.3595      1.00000
     98      -5.2187      1.00000
     99      -5.2146      1.00000
    100      -5.1974      1.00000
    101      -4.7164      1.00000
    102      -4.4335      1.00000
    103      -4.1858      1.00000
    104      -3.8110      1.00000
    105      -3.5568      1.00000
    106      -3.2217      1.00000
    107      -2.5613      0.00000
    108      -1.4599      0.00000
    109      -1.2681      0.00000
    110      -1.1851      0.00000
    111      -1.1837      0.00000
    112      -0.6442      0.00000
    113      -0.5527      0.00000
    114      -0.4149      0.00000
    115      -0.3476      0.00000
    116      -0.0782      0.00000
    117      -0.0640      0.00000
    118       0.1258      0.00000
    119       0.5930      0.00000
    120       0.6273      0.00000
    121       0.8634      0.00000
    122       0.9972      0.00000
    123       1.0094      0.00000
    124       1.4982      0.00000
    125       1.6912      0.00000
    126       1.7972      0.00000
    127       1.8770      0.00000
    128       2.0933      0.00000
    129       2.1286      0.00000
    130       2.1725      0.00000
    131       2.2111      0.00000
    132       2.2484      0.00000
    133       2.3280      0.00000
    134       2.4809      0.00000
    135       2.5055      0.00000
    136       2.6779      0.00000
    137       2.8533      0.00000
    138       2.8626      0.00000
    139       2.9654      0.00000
    140       2.9970      0.00000
    141       3.0432      0.00000
    142       3.1486      0.00000
    143       3.1498      0.00000
    144       3.2497      0.00000
    145       3.2545      0.00000
    146       3.2834      0.00000
    147       3.3147      0.00000
    148       3.3654      0.00000
    149       3.4293      0.00000
    150       3.5625      0.00000
    151       3.5752      0.00000
    152       3.6514      0.00000
    153       3.6527      0.00000
    154       3.6700      0.00000
    155       3.7064      0.00000
    156       3.9093      0.00000
    157       3.9577      0.00000
    158       4.0484      0.00000
    159       4.1016      0.00000
    160       4.2045      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2809      1.00000
      2     -22.0770      1.00000
      3     -21.7183      1.00000
      4     -21.6799      1.00000
      5     -20.9806      1.00000
      6     -20.9339      1.00000
      7     -20.6092      1.00000
      8     -20.5776      1.00000
      9     -20.5644      1.00000
     10     -20.0306      1.00000
     11     -19.5114      1.00000
     12     -19.4822      1.00000
     13     -19.3102      1.00000
     14     -19.2974      1.00000
     15     -18.4474      1.00000
     16     -18.4052      1.00000
     17     -17.9260      1.00000
     18     -17.9062      1.00000
     19     -17.7636      1.00000
     20     -17.7196      1.00000
     21     -17.4402      1.00000
     22     -17.4222      1.00000
     23     -17.3362      1.00000
     24     -16.4700      1.00000
     25     -16.4600      1.00000
     26     -15.9686      1.00000
     27     -15.4096      1.00000
     28     -15.4088      1.00000
     29     -15.0947      1.00000
     30     -15.0917      1.00000
     31     -14.8512      1.00000
     32     -14.8393      1.00000
     33     -14.2962      1.00000
     34     -14.2525      1.00000
     35     -13.4427      1.00000
     36     -13.3988      1.00000
     37     -13.1738      1.00000
     38     -13.1724      1.00000
     39     -12.9838      1.00000
     40     -12.9750      1.00000
     41     -12.6094      1.00000
     42     -12.6073      1.00000
     43     -12.1948      1.00000
     44     -11.5782      1.00000
     45     -11.5379      1.00000
     46     -11.3123      1.00000
     47     -11.2825      1.00000
     48     -11.1399      1.00000
     49     -10.6900      1.00000
     50     -10.6619      1.00000
     51     -10.5427      1.00000
     52     -10.3201      1.00000
     53     -10.3128      1.00000
     54     -10.1736      1.00000
     55     -10.1202      1.00000
     56     -10.1077      1.00000
     57      -9.8093      1.00000
     58      -9.7503      1.00000
     59      -9.7499      1.00000
     60      -9.7008      1.00000
     61      -9.6971      1.00000
     62      -9.6451      1.00000
     63      -9.3509      1.00000
     64      -9.3496      1.00000
     65      -9.3178      1.00000
     66      -9.0258      1.00000
     67      -8.9595      1.00000
     68      -8.9557      1.00000
     69      -8.7740      1.00000
     70      -8.5916      1.00000
     71      -8.5843      1.00000
     72      -8.4210      1.00000
     73      -8.3480      1.00000
     74      -8.3205      1.00000
     75      -8.3012      1.00000
     76      -8.2647      1.00000
     77      -8.2537      1.00000
     78      -8.2390      1.00000
     79      -7.9240      1.00000
     80      -7.7345      1.00000
     81      -7.3781      1.00000
     82      -7.3480      1.00000
     83      -7.3103      1.00000
     84      -7.2157      1.00000
     85      -7.1581      1.00000
     86      -7.0672      1.00000
     87      -6.9593      1.00000
     88      -6.9063      1.00000
     89      -6.6134      1.00000
     90      -6.5549      1.00000
     91      -6.2710      1.00000
     92      -5.9936      1.00000
     93      -5.9576      1.00000
     94      -5.6731      1.00000
     95      -5.6465      1.00000
     96      -5.3840      1.00000
     97      -5.3129      1.00000
     98      -5.2917      1.00000
     99      -5.2108      1.00000
    100      -5.1992      1.00000
    101      -4.5017      1.00000
    102      -4.3304      1.00000
    103      -3.9942      1.00000
    104      -3.8837      1.00000
    105      -3.7864      1.00000
    106      -3.4365      1.00000
    107      -2.0320      0.00000
    108      -1.8631      0.00000
    109      -1.2161      0.00000
    110      -1.1848      0.00000
    111      -1.0356      0.00000
    112      -0.7720      0.00000
    113      -0.6791      0.00000
    114      -0.6594      0.00000
    115      -0.6092      0.00000
    116      -0.1035      0.00000
    117       0.2230      0.00000
    118       0.2387      0.00000
    119       0.7801      0.00000
    120       0.9926      0.00000
    121       1.0763      0.00000
    122       1.2428      0.00000
    123       1.2529      0.00000
    124       1.3467      0.00000
    125       1.5832      0.00000
    126       1.5858      0.00000
    127       1.7255      0.00000
    128       1.7899      0.00000
    129       1.9596      0.00000
    130       1.9874      0.00000
    131       2.0419      0.00000
    132       2.2522      0.00000
    133       2.3433      0.00000
    134       2.4351      0.00000
    135       2.5531      0.00000
    136       2.6354      0.00000
    137       2.7189      0.00000
    138       2.7849      0.00000
    139       2.8577      0.00000
    140       2.8663      0.00000
    141       3.0419      0.00000
    142       3.1130      0.00000
    143       3.1727      0.00000
    144       3.2269      0.00000
    145       3.3776      0.00000
    146       3.4222      0.00000
    147       3.5139      0.00000
    148       3.5554      0.00000
    149       3.5936      0.00000
    150       3.6085      0.00000
    151       3.6564      0.00000
    152       3.7428      0.00000
    153       3.7538      0.00000
    154       3.7595      0.00000
    155       3.7694      0.00000
    156       3.8784      0.00000
    157       4.0245      0.00000
    158       4.1030      0.00000
    159       4.1823      0.00000
    160       4.2233      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0418   -7.3920    4.1997   -1.2762   -0.2386   17.5974    0.1440   -0.5291    0.6315   -0.4639
x    -3.0927   -0.0373   -0.0631    0.0619   -0.0099   -2.9773   -0.0109   -0.0069    0.0048    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0418    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0088    0.0378    0.0383
y    -0.0453   -3.2454   -0.5412   -0.1637   -1.1870   -0.6059
z   204.0418    1.1008   -0.3114    0.0495    0.0198    0.0866   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1128    0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8083
z    -0.2193    0.2315   -0.0550    0.0615   -0.0901    0.0008
 total charge-density along one line
x   212.0000  -10.2231    6.1483   -2.0864   -0.4744   19.5146   -1.0000    0.4784   -0.0480   -0.1245
x    -2.6460   -0.0276   -0.0609    0.0847   -0.0539   -2.2243   -0.0250   -0.0024    0.0051    0.0021
x    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2231    6.1483   -2.0864   -0.4744   19.5146   -1.0000    0.4784   -0.0480   -0.1245
y    -2.6460   -0.0276   -0.0609    0.0847   -0.0539   -2.2243   -0.0250   -0.0024    0.0051    0.0021
y    -0.0895    0.0058   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3244  188.8998 -170.1576  154.0749 -140.5291  126.8346 -111.4591   95.1074  -79.3019
z    64.9214  -52.1215   41.0174  -31.9455   25.0693  -19.9991   15.9672  -12.3685    9.0917   -6.3647
z     4.3631   -2.9961    2.0110   -1.2195    0.5899   -0.1593   -0.0899    0.2453   -0.3847    0.5112
z    -0.5765    0.5534   -0.4733    0.3957   -0.3539    0.3356   -0.3104    0.2654   -0.2127    0.1706
z    -0.1440    0.1248   -0.1046    0.0830   -0.0653    0.0546   -0.0485    0.0427   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0002   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.836   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.628   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.131   0.000  -0.033  -0.278   0.081   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.587  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.628   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.278   0.000   0.587   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.081   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.036   0.000   0.261   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.259   8.030   8.932
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.866  89.421   8.030 142.317
 


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


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


    CHARGE:  VPU time   90.34: CPU time   45.62
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  363.35: CPU time  182.00
    STRESS:  VPU time 1093.14: CPU time  549.03
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.12
 d Force =-0.1414073E-05[-0.165E-05,-0.118E-05]  d Energy =-0.9610252E-05 0.820E-05
 d Force = 0.2916644E-01[ 0.292E-01, 0.292E-01]  d Ewald  = 0.1232053E+01-0.120E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726680 eV

  energy  without entropy=     -471.726680  energy(sigma->0) =     -471.726680
 

  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    40814.87  40773.01 -47512.37    -36.25      0.00      0.00
  Hartree  40240.16  40223.97 -39498.13    -14.03      0.00      0.00
  E(xc)     -779.42   -779.71   -807.35     -0.25      0.00      0.00
  Local   -83339.11 -83290.01  84325.36     42.52      0.00      0.00
  n-local   -216.84   -215.69   -203.52      0.72      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.41   3175.93   3583.81      3.36      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.20     -0.25     -0.46     -0.05      0.00      0.00
  in kB       -0.12     -0.15     -0.28     -0.03      0.00      0.00
  external pressure =       -0.18 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345696661  0.001252100  0.000000000     0.080995143  0.046751683  0.000000000
    -6.171770622 10.692308975  0.000000000    -0.000009485  0.093519694  0.000000000
     0.000000000  0.000000000 19.983540822     0.000000000  0.000000000  0.050041182

  length of vectors
    12.345696725 12.345696571 19.983540822     0.093519693  0.093519694  0.050041182


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.373E-05 -.493E-04 -.951E+03   0.420E-05 -.275E-04 0.959E+03   0.297E-20 -.339E-20 -.868E+01   -.416E-07 0.243E-07 -.626E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   0.211E-04 -.129E-04 -.787E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   -.211E-04 0.129E-04 -.787E-03
   -.202E+01 0.117E+01 0.137E+02   0.202E+01 -.117E+01 -.137E+02   -.460E-02 0.265E-02 -.328E-01   -.926E-04 0.505E-04 -.285E-03
   0.622E+01 0.680E+01 0.165E+02   -.623E+01 -.682E+01 -.165E+02   -.180E-02 0.229E-01 -.366E-01   0.483E-04 -.193E-03 -.535E-04
   0.111E+02 0.508E+01 0.165E+02   -.111E+02 -.508E+01 -.165E+02   0.206E-01 0.662E-02 -.499E-01   -.405E-03 0.117E-03 0.503E-03
   0.468E+01 -.887E+00 0.153E+02   -.470E+01 0.895E+00 -.153E+02   0.143E-01 -.772E-02 -.103E-01   -.901E-04 -.121E-04 0.719E-03
   -.305E+01 -.254E+01 0.138E+02   0.305E+01 0.254E+01 -.137E+02   0.147E-02 0.347E-02 -.418E-02   -.110E-03 -.150E-03 0.408E-03
   0.675E+00 0.391E+01 0.138E+02   -.676E+00 -.391E+01 -.137E+02   -.227E-02 -.301E-02 -.418E-02   0.695E-04 0.164E-03 0.405E-03
   0.245E+01 0.188E+02 0.225E+02   -.245E+01 -.189E+02 -.224E+02   0.111E-02 0.997E-01 -.474E-01   -.157E-03 0.311E-03 0.370E-03
   0.225E+02 0.213E+02 0.405E+02   -.226E+02 -.216E+02 -.404E+02   0.810E-01 0.255E+00 -.675E-01   -.602E-03 0.170E-03 0.292E-03
   0.266E+02 -.343E+01 0.259E+02   -.268E+02 0.354E+01 -.258E+02   0.265E+00 -.108E+00 -.433E-01   -.205E-03 -.878E-04 0.313E-03
   0.906E+01 -.523E+01 0.156E+02   -.910E+01 0.526E+01 -.156E+02   0.433E-01 -.250E-01 -.151E-01   -.288E-03 0.160E-03 0.403E-03
   0.311E+01 -.361E+01 0.153E+02   -.312E+01 0.362E+01 -.153E+02   0.138E-01 -.853E-02 -.103E-01   -.368E-04 0.798E-04 0.712E-03
   -.587E+01 0.135E+02 0.178E+02   0.587E+01 -.136E+02 -.177E+02   -.123E-02 0.710E-01 -.399E-01   -.661E-04 -.728E-04 0.428E-03
   -.118E+02 0.359E+02 0.467E+02   0.118E+02 -.365E+02 -.470E+02   -.277E-01 0.603E+00 0.297E+00   -.230E-03 -.293E-03 0.663E-03
   0.235E+02 -.135E+02 0.912E+02   -.241E+02 0.139E+02 -.933E+02   0.630E+00 -.364E+00 0.202E+01   -.559E-04 0.296E-04 0.115E-02
   0.162E+02 -.213E+02 0.259E+02   -.165E+02 0.215E+02 -.258E+02   0.226E+00 -.176E+00 -.433E-01   -.290E-04 0.214E-03 0.309E-03
   0.116E+01 -.122E+02 0.165E+02   -.116E+01 0.122E+02 -.165E+02   0.459E-02 -.212E-01 -.499E-01   -.300E-03 0.291E-03 0.498E-03
   -.409E+01 0.189E+01 0.140E+02   0.409E+01 -.190E+01 -.140E+02   -.651E-03 0.956E-02 -.360E-01   0.517E-04 0.312E-04 0.666E-03
   -.191E+02 0.110E+02 0.227E+02   0.191E+02 -.110E+02 -.226E+02   -.508E-01 0.293E-01 -.400E-01   -.297E-04 0.209E-04 0.308E-04
   -.369E+02 -.772E+01 0.467E+02   0.375E+02 0.799E+01 -.470E+02   -.536E+00 -.278E+00 0.297E+00   0.142E-03 0.345E-03 0.666E-03
   -.722E+01 -.301E+02 0.405E+02   0.741E+01 0.303E+02 -.404E+02   -.181E+00 -.198E+00 -.675E-01   -.445E-03 0.432E-03 0.291E-03
   -.278E+01 -.879E+01 0.165E+02   0.279E+01 0.880E+01 -.165E+02   -.207E-01 -.989E-02 -.366E-01   0.193E-03 0.526E-04 -.541E-04
   0.142E+01 -.819E+00 0.131E+02   -.142E+01 0.822E+00 -.130E+02   0.294E-03 -.170E-03 -.278E-01   0.362E-04 -.188E-04 -.321E-04
   -.369E+01 0.260E+01 0.140E+02   0.369E+01 -.259E+01 -.140E+02   -.861E-02 -.422E-02 -.360E-01   0.699E-06 -.556E-04 0.670E-03
   -.146E+02 -.166E+01 0.178E+02   0.147E+02 0.169E+01 -.177E+02   -.621E-01 -.344E-01 -.399E-01   0.319E-04 0.921E-04 0.435E-03
   -.151E+02 -.115E+02 0.225E+02   0.152E+02 0.116E+02 -.224E+02   -.858E-01 -.508E-01 -.474E-01   -.346E-03 -.251E-04 0.372E-03
   0.278E+01 0.879E+01 0.165E+02   -.279E+01 -.880E+01 -.165E+02   0.207E-01 0.989E-02 -.366E-01   -.193E-03 -.526E-04 -.541E-04
   0.151E+02 0.115E+02 0.225E+02   -.152E+02 -.116E+02 -.224E+02   0.858E-01 0.508E-01 -.474E-01   0.346E-03 0.251E-04 0.372E-03
   0.146E+02 0.166E+01 0.178E+02   -.147E+02 -.169E+01 -.177E+02   0.621E-01 0.344E-01 -.399E-01   -.318E-04 -.921E-04 0.435E-03
   0.369E+01 -.260E+01 0.140E+02   -.369E+01 0.259E+01 -.140E+02   0.861E-02 0.422E-02 -.360E-01   -.686E-06 0.556E-04 0.670E-03
   -.142E+01 0.819E+00 0.131E+02   0.142E+01 -.822E+00 -.130E+02   -.294E-03 0.170E-03 -.278E-01   -.362E-04 0.188E-04 -.321E-04
   -.116E+01 0.122E+02 0.165E+02   0.116E+01 -.122E+02 -.165E+02   -.459E-02 0.212E-01 -.499E-01   0.300E-03 -.291E-03 0.498E-03
   0.722E+01 0.301E+02 0.405E+02   -.741E+01 -.303E+02 -.404E+02   0.181E+00 0.198E+00 -.675E-01   0.445E-03 -.432E-03 0.291E-03
   0.369E+02 0.772E+01 0.467E+02   -.375E+02 -.799E+01 -.470E+02   0.536E+00 0.278E+00 0.297E+00   -.142E-03 -.345E-03 0.666E-03
   0.191E+02 -.110E+02 0.227E+02   -.191E+02 0.110E+02 -.226E+02   0.508E-01 -.293E-01 -.400E-01   0.297E-04 -.209E-04 0.309E-04
   0.409E+01 -.189E+01 0.140E+02   -.409E+01 0.190E+01 -.140E+02   0.651E-03 -.956E-02 -.360E-01   -.517E-04 -.312E-04 0.666E-03
   -.311E+01 0.361E+01 0.153E+02   0.312E+01 -.362E+01 -.153E+02   -.138E-01 0.853E-02 -.103E-01   0.368E-04 -.798E-04 0.712E-03
   -.162E+02 0.213E+02 0.259E+02   0.165E+02 -.215E+02 -.258E+02   -.226E+00 0.176E+00 -.433E-01   0.290E-04 -.214E-03 0.309E-03
   -.235E+02 0.135E+02 0.912E+02   0.241E+02 -.139E+02 -.933E+02   -.630E+00 0.364E+00 0.202E+01   0.558E-04 -.296E-04 0.115E-02
   0.118E+02 -.359E+02 0.467E+02   -.118E+02 0.365E+02 -.470E+02   0.277E-01 -.603E+00 0.297E+00   0.230E-03 0.293E-03 0.663E-03
   0.587E+01 -.135E+02 0.178E+02   -.587E+01 0.136E+02 -.177E+02   0.123E-02 -.710E-01 -.399E-01   0.661E-04 0.728E-04 0.428E-03
   -.675E+00 -.391E+01 0.138E+02   0.676E+00 0.391E+01 -.137E+02   0.227E-02 0.301E-02 -.418E-02   -.695E-04 -.164E-03 0.405E-03
   -.906E+01 0.523E+01 0.156E+02   0.910E+01 -.526E+01 -.156E+02   -.433E-01 0.250E-01 -.151E-01   0.288E-03 -.160E-03 0.403E-03
   -.266E+02 0.343E+01 0.259E+02   0.268E+02 -.354E+01 -.258E+02   -.265E+00 0.108E+00 -.433E-01   0.205E-03 0.878E-04 0.313E-03
   -.225E+02 -.213E+02 0.405E+02   0.226E+02 0.216E+02 -.404E+02   -.810E-01 -.255E+00 -.675E-01   0.602E-03 -.170E-03 0.292E-03
   -.245E+01 -.188E+02 0.225E+02   0.245E+01 0.189E+02 -.224E+02   -.111E-02 -.997E-01 -.474E-01   0.157E-03 -.311E-03 0.370E-03
   0.202E+01 -.117E+01 0.137E+02   -.202E+01 0.117E+01 -.137E+02   0.460E-02 -.265E-02 -.328E-01   0.926E-04 -.505E-04 -.285E-03
   0.305E+01 0.254E+01 0.138E+02   -.305E+01 -.254E+01 -.137E+02   -.147E-02 -.347E-02 -.418E-02   0.110E-03 0.150E-03 0.408E-03
   -.468E+01 0.887E+00 0.153E+02   0.470E+01 -.895E+00 -.153E+02   -.143E-01 0.772E-02 -.103E-01   0.901E-04 0.121E-04 0.719E-03
   -.111E+02 -.508E+01 0.165E+02   0.111E+02 0.508E+01 -.165E+02   -.206E-01 -.662E-02 -.499E-01   0.405E-03 -.117E-03 0.503E-03
   -.622E+01 -.680E+01 0.165E+02   0.623E+01 0.682E+01 -.165E+02   0.180E-02 -.229E-01 -.366E-01   -.483E-04 0.193E-03 -.534E-04
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.298E-03 0.101E+02   0.498E-12 -.110E-12 0.320E-12   -.833E-16 0.243E-16 -.101E+02   -.406E-07 0.240E-07 0.119E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85247      6.05952     12.33771         0.000000      0.000000      0.010913
      1.07828      6.50649     13.60019         0.003256     -0.001880     -0.010697
      2.62665      5.61254     13.60019        -0.003256      0.001880     -0.010697
      0.00010     -0.00006      9.97858        -0.005310      0.003066     -0.009464
     -1.23457      2.13694      9.97897        -0.008834      0.006238     -0.005814
     -2.46983      4.27676      9.98499         0.002507     -0.002434      0.003212
     -3.70352      6.41551      9.98234        -0.003079      0.001056      0.006967
     -4.93734      8.55381      9.97992         0.000504      0.003967      0.003486
      2.46921      0.00020      9.97992        -0.003184     -0.002420      0.003486
      1.23400      2.13709      9.98333         0.001806     -0.005264     -0.002668
     -0.00251      4.27145      9.99673         0.008853     -0.006755     -0.004204
     -1.23810      6.41625     10.00857        -0.001006      0.000607     -0.004625
     -2.46872      8.55435      9.98615         0.000082     -0.000048      0.000766
      4.93794      0.00083      9.98234        -0.002454      0.002138      0.006967
      3.70440      2.13709      9.99079        -0.000543      0.001124      0.003221
      2.47024      4.26895     10.03009         0.003058      0.001691      0.000820
      1.22943      6.41923     10.04006        -0.001160      0.000670      0.009054
     -0.00176      8.55766     10.00857        -0.001029      0.000568     -0.004625
      7.40700      0.00181      9.98499         0.003361     -0.000954      0.003212
      6.17286      2.13923      9.98208        -0.002184     -0.000220      0.005873
      4.93944      4.27726     10.00022        -0.000852      0.000492     -0.003694
      3.71203      6.41980     10.03009         0.000064     -0.003494      0.000820
      2.47349      8.56001      9.99673         0.010276     -0.004289     -0.004204
      9.87777      0.00195      9.97897        -0.009819      0.004532     -0.005814
      8.64218      2.13948      9.97877        -0.004814      0.002780     -0.003956
      7.40773      4.27809      9.98208        -0.000901      0.002001      0.005873
      6.17535      6.41691      9.99079        -0.001245     -0.000092      0.003221
      4.94016      8.55634      9.98333         0.005462      0.001068     -0.002668
     -0.00106      1.42478      9.97897         0.009819     -0.004532     -0.005814
     -1.23522      3.56269      9.98333        -0.005462     -0.001068     -0.002668
     -2.47042      5.70212      9.99079         0.001245      0.000092      0.003221
     -3.70280      7.84094      9.98208         0.000901     -0.002001      0.005873
     -4.93725      9.97956      9.97877         0.004814     -0.002780     -0.003956
      2.46970      1.42492      9.98499        -0.003361      0.000954      0.003212
      1.23144      3.55902      9.99673        -0.010276      0.004289     -0.004204
     -0.00710      5.69924     10.03009        -0.000064      0.003494      0.000820
     -1.23450      7.84178     10.00022         0.000852     -0.000492     -0.003694
     -2.46793      9.97980      9.98208         0.002184      0.000220      0.005873
      4.93876      1.42589      9.98234         0.002454     -0.002138      0.006967
      3.70669      3.56138     10.00857         0.001029     -0.000568     -0.004625
      2.47550      5.69981     10.04006         0.001160     -0.000670      0.009054
      1.23469      7.85009     10.03009        -0.003058     -0.001691      0.000820
      0.00053      9.98194      9.99079         0.000543     -0.001124      0.003221
      7.40749      1.42652      9.97992         0.003184      0.002420      0.003486
      6.17365      3.56468      9.98615        -0.000082      0.000048      0.000766
      4.94303      5.70278     10.00857         0.001006     -0.000607     -0.004625
      3.70744      7.84759      9.99673        -0.008853      0.006755     -0.004204
      2.47093      9.98195      9.98333        -0.001806      0.005264     -0.002668
      9.87660      1.42679      9.97858         0.005310     -0.003066     -0.009464
      8.64227      3.56523      9.97992        -0.000504     -0.003967      0.003486
      7.40845      5.70353      9.98234         0.003079     -0.001056      0.006967
      6.17476      7.84228      9.98499        -0.002507      0.002434      0.003212
      4.93950      9.98209      9.97897         0.008834     -0.006238     -0.005814
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000298      0.003957


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




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


    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  150.89: CPU time   75.53
     LOOP+:  VPU time 4141.32: CPU time 2115.17


----------------------------------------- Iteration   19(   1)  ---------------------------------------


    POTLOK:  VPU time    7.83: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1471.87: CPU time  751.50
 BZINTS: Fermi energy: -3.206567;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.57: CPU time   45.60
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1570.73: CPU time  805.23

 eigenvalue-minimisations  :  6016
 total energy-change (2. order) :-0.4717267E+03  (-0.2220973E-02)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9587026 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.30312E-02    rms(broyden)= 0.30280E-02
  rms(prec ) = 0.32612E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34081.78766597
  -1/2 Hartree   DENC   =    -40972.03995547
  -V(xc)+E(xc)   XCENC  =       726.55942099
  PAW double counting   =      4093.36647649    -4131.69238647
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.14779460
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72671949 eV

  energy without entropy =     -471.72671949  energy(sigma->0) =     -471.72671949


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




----------------------------------------- Iteration   19(   2)  ---------------------------------------


    POTLOK:  VPU time    7.70: CPU time    7.69
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1292.02: CPU time  660.93
 BZINTS: Fermi energy: -3.207218;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1300.07: CPU time  668.94

 eigenvalue-minimisations  :  5032
 total energy-change (2. order) :-0.1155287E-04  (-0.3621844E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9587026 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34081.78766597
  -1/2 Hartree   DENC   =    -40972.15905764
  -V(xc)+E(xc)   XCENC  =       726.56432049
  PAW double counting   =      4093.57179540    -4131.89971168
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.03159718
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72673104 eV

  energy without entropy =     -471.72673104  energy(sigma->0) =     -471.72673104


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2067       2 -39.5398       3 -39.5399       4 -58.3168       5 -58.3199
       6 -58.3231       7 -58.3181       8 -58.3183       9 -58.3183      10 -58.3241
      11 -58.3895      12 -58.3539      13 -58.3259      14 -58.3181      15 -58.3270
      16 -58.5417      17 -58.7282      18 -58.3539      19 -58.3231      20 -58.3231
      21 -58.3603      22 -58.5417      23 -58.3896      24 -58.3199      25 -58.3262
      26 -58.3231      27 -58.3270      28 -58.3242      29 -58.3198      30 -58.3240
      31 -58.3269      32 -58.3230      33 -58.3261      34 -58.3229      35 -58.3894
      36 -58.5416      37 -58.3602      38 -58.3230      39 -58.3179      40 -58.3538
      41 -58.7280      42 -58.5416      43 -58.3269      44 -58.3182      45 -58.3258
      46 -58.3538      47 -58.3895      48 -58.3240      49 -58.3167      50 -58.3182
      51 -58.3179      52 -58.3230      53 -58.3198
 
 
 
 E-fermi :  -3.2072     XC(G=0):  -2.3429     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4274      1.00000
      2     -21.6021      1.00000
      3     -21.4826      1.00000
      4     -21.4736      1.00000
      5     -21.4432      1.00000
      6     -21.4426      1.00000
      7     -21.4331      1.00000
      8     -19.7076      1.00000
      9     -19.6541      1.00000
     10     -19.6311      1.00000
     11     -19.6204      1.00000
     12     -19.6149      1.00000
     13     -19.6137      1.00000
     14     -18.7909      1.00000
     15     -18.7561      1.00000
     16     -18.7367      1.00000
     17     -18.7268      1.00000
     18     -18.7205      1.00000
     19     -18.7146      1.00000
     20     -16.6353      1.00000
     21     -16.6109      1.00000
     22     -16.5860      1.00000
     23     -16.5818      1.00000
     24     -16.5570      1.00000
     25     -16.5547      1.00000
     26     -15.6144      1.00000
     27     -15.6038      1.00000
     28     -15.6004      1.00000
     29     -15.5674      1.00000
     30     -15.5651      1.00000
     31     -15.5632      1.00000
     32     -14.2611      1.00000
     33     -14.2518      1.00000
     34     -14.2416      1.00000
     35     -14.2376      1.00000
     36     -14.2243      1.00000
     37     -14.2215      1.00000
     38     -11.9057      1.00000
     39     -11.8800      1.00000
     40     -11.8697      1.00000
     41     -11.8665      1.00000
     42     -11.8468      1.00000
     43     -11.8466      1.00000
     44     -11.7721      1.00000
     45     -11.7697      1.00000
     46     -11.7379      1.00000
     47     -11.7310      1.00000
     48     -11.7271      1.00000
     49     -11.7244      1.00000
     50     -10.6729      1.00000
     51     -10.3894      1.00000
     52     -10.3855      1.00000
     53     -10.3786      1.00000
     54     -10.3695      1.00000
     55     -10.3577      1.00000
     56     -10.3554      1.00000
     57      -9.9013      1.00000
     58      -9.4491      1.00000
     59      -9.4059      1.00000
     60      -9.3640      1.00000
     61      -9.3633      1.00000
     62      -9.3561      1.00000
     63      -9.1432      1.00000
     64      -9.1223      1.00000
     65      -9.1223      1.00000
     66      -9.0865      1.00000
     67      -9.0739      1.00000
     68      -9.0734      1.00000
     69      -9.0733      1.00000
     70      -9.0663      1.00000
     71      -9.0652      1.00000
     72      -9.0405      1.00000
     73      -9.0309      1.00000
     74      -9.0271      1.00000
     75      -8.1373      1.00000
     76      -7.7320      1.00000
     77      -7.4704      1.00000
     78      -7.4680      1.00000
     79      -7.4557      1.00000
     80      -7.4370      1.00000
     81      -7.4257      1.00000
     82      -7.4095      1.00000
     83      -7.3120      1.00000
     84      -7.2712      1.00000
     85      -7.2580      1.00000
     86      -7.2494      1.00000
     87      -7.1571      1.00000
     88      -7.0463      1.00000
     89      -6.4474      1.00000
     90      -6.4156      1.00000
     91      -6.4003      1.00000
     92      -6.3652      1.00000
     93      -6.3540      1.00000
     94      -6.3408      1.00000
     95      -5.9609      1.00000
     96      -5.9594      1.00000
     97      -4.7958      1.00000
     98      -4.5401      1.00000
     99      -4.4824      1.00000
    100      -4.4710      1.00000
    101      -4.3841      1.00000
    102      -4.3830      1.00000
    103      -4.2658      1.00000
    104      -4.1847      1.00000
    105      -3.7342      1.00000
    106      -3.4707      1.00000
    107      -1.8606      0.00000
    108      -1.6738      0.00000
    109      -1.6258      0.00000
    110      -1.5934      0.00000
    111      -1.5775      0.00000
    112      -1.5769      0.00000
    113      -0.4285      0.00000
    114       0.1411      0.00000
    115       0.1913      0.00000
    116       0.2538      0.00000
    117       0.2661      0.00000
    118       0.2692      0.00000
    119       0.4744      0.00000
    120       0.5563      0.00000
    121       1.2561      0.00000
    122       1.2898      0.00000
    123       1.5415      0.00000
    124       1.7688      0.00000
    125       1.7807      0.00000
    126       1.7832      0.00000
    127       1.7844      0.00000
    128       1.8325      0.00000
    129       1.9567      0.00000
    130       1.9714      0.00000
    131       1.9731      0.00000
    132       1.9872      0.00000
    133       1.9943      0.00000
    134       2.0854      0.00000
    135       2.2643      0.00000
    136       2.3370      0.00000
    137       2.6348      0.00000
    138       2.6352      0.00000
    139       2.6664      0.00000
    140       2.7157      0.00000
    141       2.9504      0.00000
    142       3.0216      0.00000
    143       3.0320      0.00000
    144       3.0582      0.00000
    145       3.0593      0.00000
    146       3.0621      0.00000
    147       3.0915      0.00000
    148       3.2787      0.00000
    149       3.4453      0.00000
    150       3.5193      0.00000
    151       3.8164      0.00000
    152       3.9576      0.00000
    153       3.9610      0.00000
    154       3.9623      0.00000
    155       3.9669      0.00000
    156       4.0019      0.00000
    157       4.1902      0.00000
    158       4.2679      0.00000
    159       4.2758      0.00000
    160       4.2894      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3907      1.00000
      2     -21.8314      1.00000
      3     -21.6401      1.00000
      4     -21.6122      1.00000
      5     -21.2759      1.00000
      6     -21.2372      1.00000
      7     -21.0590      1.00000
      8     -20.1689      1.00000
      9     -20.1312      1.00000
     10     -19.6101      1.00000
     11     -19.5992      1.00000
     12     -19.4188      1.00000
     13     -19.0909      1.00000
     14     -19.0617      1.00000
     15     -19.0507      1.00000
     16     -19.0435      1.00000
     17     -18.3623      1.00000
     18     -18.3541      1.00000
     19     -18.0205      1.00000
     20     -17.0698      1.00000
     21     -17.0314      1.00000
     22     -16.9455      1.00000
     23     -16.9427      1.00000
     24     -16.4693      1.00000
     25     -16.4656      1.00000
     26     -15.6149      1.00000
     27     -15.6094      1.00000
     28     -15.2535      1.00000
     29     -15.2450      1.00000
     30     -15.1861      1.00000
     31     -15.1000      1.00000
     32     -15.0733      1.00000
     33     -14.7002      1.00000
     34     -14.6982      1.00000
     35     -13.7281      1.00000
     36     -13.7255      1.00000
     37     -13.2374      1.00000
     38     -12.6154      1.00000
     39     -12.5860      1.00000
     40     -12.4560      1.00000
     41     -12.4524      1.00000
     42     -12.1106      1.00000
     43     -12.1060      1.00000
     44     -11.7188      1.00000
     45     -11.6882      1.00000
     46     -11.2364      1.00000
     47     -11.2283      1.00000
     48     -11.0193      1.00000
     49     -11.0113      1.00000
     50     -10.9280      1.00000
     51     -10.9071      1.00000
     52     -10.6272      1.00000
     53     -10.1568      1.00000
     54     -10.1529      1.00000
     55     -10.0935      1.00000
     56      -9.9972      1.00000
     57      -9.7039      1.00000
     58      -9.6967      1.00000
     59      -9.6572      1.00000
     60      -9.5927      1.00000
     61      -9.5784      1.00000
     62      -9.5599      1.00000
     63      -9.3085      1.00000
     64      -9.3049      1.00000
     65      -9.2747      1.00000
     66      -9.2381      1.00000
     67      -9.1372      1.00000
     68      -9.1170      1.00000
     69      -9.1133      1.00000
     70      -8.9411      1.00000
     71      -8.8741      1.00000
     72      -8.6063      1.00000
     73      -8.5924      1.00000
     74      -8.2397      1.00000
     75      -8.1023      1.00000
     76      -7.9098      1.00000
     77      -7.8654      1.00000
     78      -7.7733      1.00000
     79      -7.7588      1.00000
     80      -7.6962      1.00000
     81      -7.5537      1.00000
     82      -7.3408      1.00000
     83      -7.3250      1.00000
     84      -7.2061      1.00000
     85      -7.1227      1.00000
     86      -7.0330      1.00000
     87      -7.0140      1.00000
     88      -6.7048      1.00000
     89      -6.6795      1.00000
     90      -6.6420      1.00000
     91      -6.5978      1.00000
     92      -6.1182      1.00000
     93      -6.0629      1.00000
     94      -6.0321      1.00000
     95      -6.0125      1.00000
     96      -5.7830      1.00000
     97      -4.9682      1.00000
     98      -4.8316      1.00000
     99      -4.7473      1.00000
    100      -4.6794      1.00000
    101      -4.4618      1.00000
    102      -4.1996      1.00000
    103      -4.1716      1.00000
    104      -4.1279      1.00000
    105      -3.7249      1.00000
    106      -3.4806      1.00000
    107      -1.8705      0.00000
    108      -1.8112      0.00000
    109      -1.5248      0.00000
    110      -1.3795      0.00000
    111      -1.3235      0.00000
    112      -1.2900      0.00000
    113      -0.7208      0.00000
    114      -0.3772      0.00000
    115      -0.2524      0.00000
    116       0.0346      0.00000
    117       0.5605      0.00000
    118       0.6974      0.00000
    119       0.7454      0.00000
    120       1.0466      0.00000
    121       1.0980      0.00000
    122       1.1531      0.00000
    123       1.2266      0.00000
    124       1.3860      0.00000
    125       1.5279      0.00000
    126       1.5956      0.00000
    127       1.7189      0.00000
    128       1.7958      0.00000
    129       1.8557      0.00000
    130       1.8820      0.00000
    131       2.0960      0.00000
    132       2.1999      0.00000
    133       2.2452      0.00000
    134       2.3201      0.00000
    135       2.5235      0.00000
    136       2.6069      0.00000
    137       2.6090      0.00000
    138       2.7819      0.00000
    139       2.7924      0.00000
    140       2.8229      0.00000
    141       2.8269      0.00000
    142       2.9005      0.00000
    143       2.9317      0.00000
    144       3.1018      0.00000
    145       3.1686      0.00000
    146       3.3175      0.00000
    147       3.3500      0.00000
    148       3.3997      0.00000
    149       3.4697      0.00000
    150       3.6043      0.00000
    151       3.6422      0.00000
    152       3.6630      0.00000
    153       3.7108      0.00000
    154       3.9204      0.00000
    155       3.9632      0.00000
    156       4.0227      0.00000
    157       4.0687      0.00000
    158       4.2433      0.00000
    159       4.2559      0.00000
    160       4.2802      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2842      1.00000
      2     -22.0797      1.00000
      3     -21.7184      1.00000
      4     -21.6867      1.00000
      5     -20.9806      1.00000
      6     -20.9407      1.00000
      7     -20.6130      1.00000
      8     -20.5772      1.00000
      9     -20.5707      1.00000
     10     -20.0343      1.00000
     11     -19.5047      1.00000
     12     -19.4932      1.00000
     13     -19.3089      1.00000
     14     -19.3037      1.00000
     15     -18.4488      1.00000
     16     -18.4126      1.00000
     17     -17.9238      1.00000
     18     -17.9149      1.00000
     19     -17.7627      1.00000
     20     -17.7273      1.00000
     21     -17.4375      1.00000
     22     -17.4306      1.00000
     23     -17.3422      1.00000
     24     -16.4646      1.00000
     25     -16.4637      1.00000
     26     -15.9689      1.00000
     27     -15.4156      1.00000
     28     -15.4108      1.00000
     29     -15.0981      1.00000
     30     -15.0949      1.00000
     31     -14.8560      1.00000
     32     -14.8486      1.00000
     33     -14.2918      1.00000
     34     -14.2595      1.00000
     35     -13.4380      1.00000
     36     -13.4062      1.00000
     37     -13.1789      1.00000
     38     -13.1756      1.00000
     39     -12.9836      1.00000
     40     -12.9788      1.00000
     41     -12.6145      1.00000
     42     -12.6114      1.00000
     43     -12.1993      1.00000
     44     -11.5779      1.00000
     45     -11.5445      1.00000
     46     -11.3122      1.00000
     47     -11.2897      1.00000
     48     -11.1435      1.00000
     49     -10.6767      1.00000
     50     -10.6625      1.00000
     51     -10.5494      1.00000
     52     -10.3245      1.00000
     53     -10.3193      1.00000
     54     -10.1716      1.00000
     55     -10.1170      1.00000
     56     -10.1139      1.00000
     57      -9.7990      1.00000
     58      -9.7655      1.00000
     59      -9.7535      1.00000
     60      -9.7021      1.00000
     61      -9.6993      1.00000
     62      -9.6623      1.00000
     63      -9.3559      1.00000
     64      -9.3535      1.00000
     65      -9.3175      1.00000
     66      -9.0414      1.00000
     67      -8.9641      1.00000
     68      -8.9502      1.00000
     69      -8.7994      1.00000
     70      -8.5958      1.00000
     71      -8.5597      1.00000
     72      -8.3983      1.00000
     73      -8.3656      1.00000
     74      -8.3257      1.00000
     75      -8.3080      1.00000
     76      -8.2610      1.00000
     77      -8.2585      1.00000
     78      -8.2383      1.00000
     79      -7.9093      1.00000
     80      -7.6518      1.00000
     81      -7.5425      1.00000
     82      -7.3878      1.00000
     83      -7.3516      1.00000
     84      -7.2334      1.00000
     85      -7.0990      1.00000
     86      -7.0392      1.00000
     87      -6.9355      1.00000
     88      -6.8470      1.00000
     89      -6.6142      1.00000
     90      -6.5611      1.00000
     91      -6.2714      1.00000
     92      -6.0426      1.00000
     93      -5.9519      1.00000
     94      -5.6624      1.00000
     95      -5.6239      1.00000
     96      -5.4603      1.00000
     97      -5.3192      1.00000
     98      -5.2791      1.00000
     99      -5.2143      1.00000
    100      -5.1959      1.00000
    101      -4.4986      1.00000
    102      -4.2031      1.00000
    103      -4.0559      1.00000
    104      -3.9901      1.00000
    105      -3.6910      1.00000
    106      -3.4908      1.00000
    107      -1.9466      0.00000
    108      -1.8990      0.00000
    109      -1.3377      0.00000
    110      -1.0868      0.00000
    111      -1.0605      0.00000
    112      -0.8022      0.00000
    113      -0.6795      0.00000
    114      -0.6486      0.00000
    115      -0.6093      0.00000
    116      -0.1101      0.00000
    117       0.2134      0.00000
    118       0.3272      0.00000
    119       0.7009      0.00000
    120       0.8907      0.00000
    121       1.1251      0.00000
    122       1.1983      0.00000
    123       1.3330      0.00000
    124       1.4278      0.00000
    125       1.5560      0.00000
    126       1.5772      0.00000
    127       1.6951      0.00000
    128       1.8093      0.00000
    129       1.8838      0.00000
    130       2.0574      0.00000
    131       2.1060      0.00000
    132       2.3001      0.00000
    133       2.3523      0.00000
    134       2.4128      0.00000
    135       2.5599      0.00000
    136       2.6361      0.00000
    137       2.7233      0.00000
    138       2.7385      0.00000
    139       2.7933      0.00000
    140       2.8853      0.00000
    141       3.0511      0.00000
    142       3.0641      0.00000
    143       3.1765      0.00000
    144       3.2721      0.00000
    145       3.3675      0.00000
    146       3.4239      0.00000
    147       3.4450      0.00000
    148       3.5658      0.00000
    149       3.5834      0.00000
    150       3.6057      0.00000
    151       3.6595      0.00000
    152       3.6815      0.00000
    153       3.7691      0.00000
    154       3.7760      0.00000
    155       3.8107      0.00000
    156       3.8927      0.00000
    157       3.9356      0.00000
    158       3.9966      0.00000
    159       4.2215      0.00000
    160       4.2291      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3184      1.00000
      2     -21.9636      1.00000
      3     -21.8963      1.00000
      4     -21.3824      1.00000
      5     -21.3537      1.00000
      6     -20.8404      1.00000
      7     -20.7770      1.00000
      8     -20.6256      1.00000
      9     -20.0791      1.00000
     10     -20.0738      1.00000
     11     -19.7184      1.00000
     12     -19.6943      1.00000
     13     -18.9979      1.00000
     14     -18.9923      1.00000
     15     -18.6426      1.00000
     16     -18.6270      1.00000
     17     -18.4634      1.00000
     18     -17.6756      1.00000
     19     -17.6263      1.00000
     20     -17.6232      1.00000
     21     -17.5824      1.00000
     22     -17.1277      1.00000
     23     -17.1071      1.00000
     24     -16.9653      1.00000
     25     -16.0044      1.00000
     26     -15.9302      1.00000
     27     -15.5875      1.00000
     28     -15.5875      1.00000
     29     -15.2873      1.00000
     30     -14.8659      1.00000
     31     -14.8393      1.00000
     32     -14.5795      1.00000
     33     -14.5391      1.00000
     34     -14.1702      1.00000
     35     -14.1569      1.00000
     36     -13.1506      1.00000
     37     -13.1014      1.00000
     38     -13.0317      1.00000
     39     -13.0210      1.00000
     40     -12.7104      1.00000
     41     -12.7066      1.00000
     42     -12.3430      1.00000
     43     -12.3127      1.00000
     44     -11.6370      1.00000
     45     -11.6241      1.00000
     46     -11.5734      1.00000
     47     -10.9510      1.00000
     48     -10.9182      1.00000
     49     -10.6318      1.00000
     50     -10.6258      1.00000
     51     -10.5463      1.00000
     52     -10.5020      1.00000
     53     -10.5012      1.00000
     54     -10.4422      1.00000
     55     -10.3616      1.00000
     56     -10.0993      1.00000
     57      -9.9049      1.00000
     58      -9.6088      1.00000
     59      -9.5584      1.00000
     60      -9.4541      1.00000
     61      -9.4142      1.00000
     62      -9.4062      1.00000
     63      -9.3789      1.00000
     64      -9.3787      1.00000
     65      -9.2873      1.00000
     66      -9.1698      1.00000
     67      -9.1452      1.00000
     68      -9.1161      1.00000
     69      -8.8662      1.00000
     70      -8.8595      1.00000
     71      -8.8158      1.00000
     72      -8.5982      1.00000
     73      -8.4805      1.00000
     74      -8.2008      1.00000
     75      -8.1650      1.00000
     76      -8.0134      1.00000
     77      -7.9576      1.00000
     78      -7.8523      1.00000
     79      -7.8420      1.00000
     80      -7.7083      1.00000
     81      -7.6979      1.00000
     82      -7.6256      1.00000
     83      -7.4462      1.00000
     84      -7.3057      1.00000
     85      -7.2469      1.00000
     86      -6.9087      1.00000
     87      -6.8943      1.00000
     88      -6.5897      1.00000
     89      -6.5514      1.00000
     90      -6.4091      1.00000
     91      -6.2549      1.00000
     92      -6.2336      1.00000
     93      -6.2066      1.00000
     94      -6.0226      1.00000
     95      -5.5489      1.00000
     96      -5.4881      1.00000
     97      -5.3483      1.00000
     98      -5.2204      1.00000
     99      -4.9808      1.00000
    100      -4.7285      1.00000
    101      -4.6776      1.00000
    102      -4.3831      1.00000
    103      -4.1985      1.00000
    104      -3.8645      1.00000
    105      -3.5471      1.00000
    106      -3.5019      1.00000
    107      -2.2581      0.00000
    108      -1.4546      0.00000
    109      -1.3744      0.00000
    110      -1.2429      0.00000
    111      -1.0988      0.00000
    112      -0.9467      0.00000
    113      -0.8659      0.00000
    114      -0.8057      0.00000
    115      -0.1414      0.00000
    116       0.1069      0.00000
    117       0.2394      0.00000
    118       0.3757      0.00000
    119       0.6593      0.00000
    120       0.8337      0.00000
    121       0.9357      0.00000
    122       1.0681      0.00000
    123       1.2422      0.00000
    124       1.4470      0.00000
    125       1.5713      0.00000
    126       1.7657      0.00000
    127       1.7904      0.00000
    128       1.8611      0.00000
    129       1.9884      0.00000
    130       2.0379      0.00000
    131       2.1825      0.00000
    132       2.1919      0.00000
    133       2.4212      0.00000
    134       2.4236      0.00000
    135       2.5001      0.00000
    136       2.6034      0.00000
    137       2.6330      0.00000
    138       2.7066      0.00000
    139       2.7822      0.00000
    140       2.8485      0.00000
    141       2.9678      0.00000
    142       3.0888      0.00000
    143       3.1793      0.00000
    144       3.2076      0.00000
    145       3.2350      0.00000
    146       3.3269      0.00000
    147       3.3270      0.00000
    148       3.4739      0.00000
    149       3.5186      0.00000
    150       3.6982      0.00000
    151       3.7221      0.00000
    152       3.7287      0.00000
    153       3.8672      0.00000
    154       3.9043      0.00000
    155       3.9526      0.00000
    156       3.9785      0.00000
    157       3.9918      0.00000
    158       4.0340      0.00000
    159       4.0552      0.00000
    160       4.0585      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2101      1.00000
      2     -22.1202      1.00000
      3     -21.9590      1.00000
      4     -21.4061      1.00000
      5     -21.0511      1.00000
      6     -21.0159      1.00000
      7     -20.5017      1.00000
      8     -20.4631      1.00000
      9     -20.2968      1.00000
     10     -20.2777      1.00000
     11     -19.9586      1.00000
     12     -19.8945      1.00000
     13     -18.8835      1.00000
     14     -18.8165      1.00000
     15     -18.3538      1.00000
     16     -18.3081      1.00000
     17     -18.1549      1.00000
     18     -18.1381      1.00000
     19     -17.8281      1.00000
     20     -17.7907      1.00000
     21     -17.2531      1.00000
     22     -17.2441      1.00000
     23     -17.1661      1.00000
     24     -17.1350      1.00000
     25     -16.1121      1.00000
     26     -15.8868      1.00000
     27     -15.8719      1.00000
     28     -15.8367      1.00000
     29     -15.2377      1.00000
     30     -14.5567      1.00000
     31     -14.5293      1.00000
     32     -14.2815      1.00000
     33     -13.9652      1.00000
     34     -13.9584      1.00000
     35     -13.8217      1.00000
     36     -13.8071      1.00000
     37     -13.6163      1.00000
     38     -13.5726      1.00000
     39     -13.3720      1.00000
     40     -12.6365      1.00000
     41     -12.1825      1.00000
     42     -12.1348      1.00000
     43     -12.0734      1.00000
     44     -12.0221      1.00000
     45     -11.6712      1.00000
     46     -11.6580      1.00000
     47     -11.1405      1.00000
     48     -11.1206      1.00000
     49     -10.7962      1.00000
     50     -10.7336      1.00000
     51     -10.5233      1.00000
     52     -10.2097      1.00000
     53     -10.2073      1.00000
     54     -10.1662      1.00000
     55     -10.0193      1.00000
     56     -10.0059      1.00000
     57      -9.9927      1.00000
     58      -9.8033      1.00000
     59      -9.7995      1.00000
     60      -9.7645      1.00000
     61      -9.7600      1.00000
     62      -9.4568      1.00000
     63      -9.4172      1.00000
     64      -9.0804      1.00000
     65      -9.0741      1.00000
     66      -9.0436      1.00000
     67      -8.9565      1.00000
     68      -8.8777      1.00000
     69      -8.7138      1.00000
     70      -8.7017      1.00000
     71      -8.5679      1.00000
     72      -8.5452      1.00000
     73      -8.4998      1.00000
     74      -8.4650      1.00000
     75      -8.4549      1.00000
     76      -8.2597      1.00000
     77      -8.1267      1.00000
     78      -8.0437      1.00000
     79      -7.9180      1.00000
     80      -7.8624      1.00000
     81      -7.6179      1.00000
     82      -7.5495      1.00000
     83      -7.4950      1.00000
     84      -7.2611      1.00000
     85      -6.9963      1.00000
     86      -6.9258      1.00000
     87      -6.8852      1.00000
     88      -6.5344      1.00000
     89      -6.4887      1.00000
     90      -6.4610      1.00000
     91      -6.4118      1.00000
     92      -5.9823      1.00000
     93      -5.8969      1.00000
     94      -5.7849      1.00000
     95      -5.7612      1.00000
     96      -5.4297      1.00000
     97      -5.3284      1.00000
     98      -5.2310      1.00000
     99      -5.2178      1.00000
    100      -5.1905      1.00000
    101      -4.6896      1.00000
    102      -4.4156      1.00000
    103      -4.2048      1.00000
    104      -3.8264      1.00000
    105      -3.5210      1.00000
    106      -3.2758      1.00000
    107      -2.5329      0.00000
    108      -1.4564      0.00000
    109      -1.2697      0.00000
    110      -1.2048      0.00000
    111      -1.1738      0.00000
    112      -0.7211      0.00000
    113      -0.5057      0.00000
    114      -0.4140      0.00000
    115      -0.3414      0.00000
    116      -0.1476      0.00000
    117      -0.0051      0.00000
    118       0.1918      0.00000
    119       0.5590      0.00000
    120       0.6114      0.00000
    121       0.8029      0.00000
    122       0.9122      0.00000
    123       1.1394      0.00000
    124       1.5027      0.00000
    125       1.6421      0.00000
    126       1.8701      0.00000
    127       1.9380      0.00000
    128       2.1109      0.00000
    129       2.1163      0.00000
    130       2.1288      0.00000
    131       2.1680      0.00000
    132       2.2788      0.00000
    133       2.3162      0.00000
    134       2.4528      0.00000
    135       2.5754      0.00000
    136       2.6647      0.00000
    137       2.8617      0.00000
    138       2.8714      0.00000
    139       2.9030      0.00000
    140       3.0178      0.00000
    141       3.0314      0.00000
    142       3.1505      0.00000
    143       3.1518      0.00000
    144       3.2332      0.00000
    145       3.2767      0.00000
    146       3.2899      0.00000
    147       3.3085      0.00000
    148       3.3531      0.00000
    149       3.4354      0.00000
    150       3.4533      0.00000
    151       3.5587      0.00000
    152       3.6228      0.00000
    153       3.6747      0.00000
    154       3.7087      0.00000
    155       3.7864      0.00000
    156       3.9032      0.00000
    157       3.9432      0.00000
    158       4.0122      0.00000
    159       4.1524      0.00000
    160       4.2373      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3183      1.00000
      2     -21.9652      1.00000
      3     -21.8948      1.00000
      4     -21.3859      1.00000
      5     -21.3502      1.00000
      6     -20.8405      1.00000
      7     -20.7757      1.00000
      8     -20.6267      1.00000
      9     -20.0907      1.00000
     10     -20.0627      1.00000
     11     -19.7202      1.00000
     12     -19.6917      1.00000
     13     -19.0108      1.00000
     14     -18.9806      1.00000
     15     -18.6515      1.00000
     16     -18.6186      1.00000
     17     -18.4625      1.00000
     18     -17.6614      1.00000
     19     -17.6486      1.00000
     20     -17.6127      1.00000
     21     -17.5807      1.00000
     22     -17.1384      1.00000
     23     -17.0989      1.00000
     24     -16.9672      1.00000
     25     -16.0091      1.00000
     26     -15.9251      1.00000
     27     -15.6003      1.00000
     28     -15.5773      1.00000
     29     -15.2820      1.00000
     30     -14.8780      1.00000
     31     -14.8313      1.00000
     32     -14.5761      1.00000
     33     -14.5393      1.00000
     34     -14.1652      1.00000
     35     -14.1618      1.00000
     36     -13.1630      1.00000
     37     -13.0976      1.00000
     38     -13.0253      1.00000
     39     -13.0206      1.00000
     40     -12.7194      1.00000
     41     -12.6967      1.00000
     42     -12.3417      1.00000
     43     -12.3155      1.00000
     44     -11.6330      1.00000
     45     -11.6243      1.00000
     46     -11.5722      1.00000
     47     -10.9419      1.00000
     48     -10.9248      1.00000
     49     -10.6669      1.00000
     50     -10.5919      1.00000
     51     -10.5733      1.00000
     52     -10.5024      1.00000
     53     -10.4895      1.00000
     54     -10.4405      1.00000
     55     -10.3581      1.00000
     56     -10.1034      1.00000
     57      -9.8992      1.00000
     58      -9.6101      1.00000
     59      -9.5538      1.00000
     60      -9.4545      1.00000
     61      -9.4194      1.00000
     62      -9.4108      1.00000
     63      -9.3823      1.00000
     64      -9.3735      1.00000
     65      -9.2681      1.00000
     66      -9.1668      1.00000
     67      -9.1428      1.00000
     68      -9.1176      1.00000
     69      -8.8678      1.00000
     70      -8.8617      1.00000
     71      -8.8029      1.00000
     72      -8.5973      1.00000
     73      -8.5259      1.00000
     74      -8.1947      1.00000
     75      -8.1729      1.00000
     76      -8.0792      1.00000
     77      -7.8601      1.00000
     78      -7.8387      1.00000
     79      -7.8212      1.00000
     80      -7.7125      1.00000
     81      -7.6979      1.00000
     82      -7.6022      1.00000
     83      -7.5243      1.00000
     84      -7.3523      1.00000
     85      -7.1652      1.00000
     86      -6.9067      1.00000
     87      -6.8978      1.00000
     88      -6.5932      1.00000
     89      -6.5519      1.00000
     90      -6.4075      1.00000
     91      -6.3029      1.00000
     92      -6.2479      1.00000
     93      -6.2030      1.00000
     94      -6.0040      1.00000
     95      -5.5305      1.00000
     96      -5.4668      1.00000
     97      -5.3134      1.00000
     98      -5.2114      1.00000
     99      -5.0442      1.00000
    100      -4.7215      1.00000
    101      -4.6709      1.00000
    102      -4.4176      1.00000
    103      -4.1909      1.00000
    104      -3.8356      1.00000
    105      -3.6307      1.00000
    106      -3.4136      1.00000
    107      -2.2938      0.00000
    108      -1.5086      0.00000
    109      -1.2724      0.00000
    110      -1.2647      0.00000
    111      -1.0355      0.00000
    112      -0.9805      0.00000
    113      -0.8700      0.00000
    114      -0.8012      0.00000
    115      -0.2625      0.00000
    116       0.2019      0.00000
    117       0.2378      0.00000
    118       0.3585      0.00000
    119       0.6963      0.00000
    120       0.8927      0.00000
    121       0.9228      0.00000
    122       1.0451      0.00000
    123       1.1712      0.00000
    124       1.5131      0.00000
    125       1.5774      0.00000
    126       1.7125      0.00000
    127       1.7788      0.00000
    128       1.8270      0.00000
    129       1.9530      0.00000
    130       2.0042      0.00000
    131       2.1707      0.00000
    132       2.2790      0.00000
    133       2.4219      0.00000
    134       2.4336      0.00000
    135       2.4961      0.00000
    136       2.6007      0.00000
    137       2.6175      0.00000
    138       2.7109      0.00000
    139       2.7605      0.00000
    140       2.8743      0.00000
    141       3.0470      0.00000
    142       3.0882      0.00000
    143       3.1791      0.00000
    144       3.2264      0.00000
    145       3.2376      0.00000
    146       3.2994      0.00000
    147       3.3569      0.00000
    148       3.4596      0.00000
    149       3.5374      0.00000
    150       3.7003      0.00000
    151       3.7189      0.00000
    152       3.7542      0.00000
    153       3.8329      0.00000
    154       3.8878      0.00000
    155       3.9400      0.00000
    156       3.9829      0.00000
    157       3.9977      0.00000
    158       4.0226      0.00000
    159       4.0384      0.00000
    160       4.0801      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3906      1.00000
      2     -21.8317      1.00000
      3     -21.6431      1.00000
      4     -21.6083      1.00000
      5     -21.2800      1.00000
      6     -21.2338      1.00000
      7     -21.0587      1.00000
      8     -20.1727      1.00000
      9     -20.1273      1.00000
     10     -19.6178      1.00000
     11     -19.5923      1.00000
     12     -19.4177      1.00000
     13     -19.0957      1.00000
     14     -19.0578      1.00000
     15     -19.0530      1.00000
     16     -19.0411      1.00000
     17     -18.3681      1.00000
     18     -18.3487      1.00000
     19     -18.0189      1.00000
     20     -17.0737      1.00000
     21     -17.0257      1.00000
     22     -16.9515      1.00000
     23     -16.9375      1.00000
     24     -16.4756      1.00000
     25     -16.4636      1.00000
     26     -15.6111      1.00000
     27     -15.6106      1.00000
     28     -15.2518      1.00000
     29     -15.2403      1.00000
     30     -15.1930      1.00000
     31     -15.1022      1.00000
     32     -15.0703      1.00000
     33     -14.6997      1.00000
     34     -14.6990      1.00000
     35     -13.7267      1.00000
     36     -13.7265      1.00000
     37     -13.2370      1.00000
     38     -12.6248      1.00000
     39     -12.5820      1.00000
     40     -12.4564      1.00000
     41     -12.4509      1.00000
     42     -12.1072      1.00000
     43     -12.1026      1.00000
     44     -11.7225      1.00000
     45     -11.6845      1.00000
     46     -11.2459      1.00000
     47     -11.2264      1.00000
     48     -11.0195      1.00000
     49     -11.0079      1.00000
     50     -10.9293      1.00000
     51     -10.9010      1.00000
     52     -10.6333      1.00000
     53     -10.1736      1.00000
     54     -10.1505      1.00000
     55     -10.0875      1.00000
     56      -9.9898      1.00000
     57      -9.6982      1.00000
     58      -9.6908      1.00000
     59      -9.6722      1.00000
     60      -9.5943      1.00000
     61      -9.5688      1.00000
     62      -9.5533      1.00000
     63      -9.3144      1.00000
     64      -9.3021      1.00000
     65      -9.2828      1.00000
     66      -9.2442      1.00000
     67      -9.1232      1.00000
     68      -9.1146      1.00000
     69      -9.1127      1.00000
     70      -8.9408      1.00000
     71      -8.8768      1.00000
     72      -8.6070      1.00000
     73      -8.5879      1.00000
     74      -8.2728      1.00000
     75      -8.1029      1.00000
     76      -7.8692      1.00000
     77      -7.8446      1.00000
     78      -7.7916      1.00000
     79      -7.7660      1.00000
     80      -7.7584      1.00000
     81      -7.4390      1.00000
     82      -7.3355      1.00000
     83      -7.3249      1.00000
     84      -7.2658      1.00000
     85      -7.1667      1.00000
     86      -7.0169      1.00000
     87      -6.9869      1.00000
     88      -6.7175      1.00000
     89      -6.6926      1.00000
     90      -6.6325      1.00000
     91      -6.5906      1.00000
     92      -6.1189      1.00000
     93      -6.0604      1.00000
     94      -6.0450      1.00000
     95      -6.0293      1.00000
     96      -5.7494      1.00000
     97      -4.9687      1.00000
     98      -4.8377      1.00000
     99      -4.7108      1.00000
    100      -4.6748      1.00000
    101      -4.4779      1.00000
    102      -4.3457      1.00000
    103      -4.1115      1.00000
    104      -4.0545      1.00000
    105      -3.7498      1.00000
    106      -3.4592      1.00000
    107      -1.9501      0.00000
    108      -1.7735      0.00000
    109      -1.4820      0.00000
    110      -1.3572      0.00000
    111      -1.3379      0.00000
    112      -1.2941      0.00000
    113      -0.6806      0.00000
    114      -0.4722      0.00000
    115      -0.2368      0.00000
    116       0.0492      0.00000
    117       0.5943      0.00000
    118       0.6912      0.00000
    119       0.7674      0.00000
    120       1.0187      0.00000
    121       1.0953      0.00000
    122       1.1767      0.00000
    123       1.2511      0.00000
    124       1.3429      0.00000
    125       1.4452      0.00000
    126       1.6095      0.00000
    127       1.7487      0.00000
    128       1.8456      0.00000
    129       1.8548      0.00000
    130       1.8907      0.00000
    131       2.0355      0.00000
    132       2.2242      0.00000
    133       2.2492      0.00000
    134       2.3040      0.00000
    135       2.4832      0.00000
    136       2.6035      0.00000
    137       2.6375      0.00000
    138       2.7735      0.00000
    139       2.7876      0.00000
    140       2.8325      0.00000
    141       2.8394      0.00000
    142       2.8500      0.00000
    143       2.9237      0.00000
    144       3.1082      0.00000
    145       3.3137      0.00000
    146       3.3435      0.00000
    147       3.3779      0.00000
    148       3.4065      0.00000
    149       3.4267      0.00000
    150       3.5916      0.00000
    151       3.6311      0.00000
    152       3.6808      0.00000
    153       3.7370      0.00000
    154       3.9010      0.00000
    155       3.9331      0.00000
    156       3.9531      0.00000
    157       4.1076      0.00000
    158       4.2083      0.00000
    159       4.2609      0.00000
    160       4.2868      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2092      1.00000
      2     -22.1215      1.00000
      3     -21.9586      1.00000
      4     -21.4061      1.00000
      5     -21.0474      1.00000
      6     -21.0196      1.00000
      7     -20.4971      1.00000
      8     -20.4677      1.00000
      9     -20.2881      1.00000
     10     -20.2865      1.00000
     11     -19.9572      1.00000
     12     -19.8959      1.00000
     13     -18.8836      1.00000
     14     -18.8180      1.00000
     15     -18.3390      1.00000
     16     -18.3206      1.00000
     17     -18.1506      1.00000
     18     -18.1436      1.00000
     19     -17.8171      1.00000
     20     -17.7999      1.00000
     21     -17.2588      1.00000
     22     -17.2400      1.00000
     23     -17.1631      1.00000
     24     -17.1366      1.00000
     25     -16.1171      1.00000
     26     -15.8820      1.00000
     27     -15.8712      1.00000
     28     -15.8412      1.00000
     29     -15.2336      1.00000
     30     -14.5521      1.00000
     31     -14.5339      1.00000
     32     -14.2783      1.00000
     33     -13.9758      1.00000
     34     -13.9530      1.00000
     35     -13.8261      1.00000
     36     -13.8040      1.00000
     37     -13.6055      1.00000
     38     -13.5810      1.00000
     39     -13.3719      1.00000
     40     -12.6398      1.00000
     41     -12.1701      1.00000
     42     -12.1447      1.00000
     43     -12.0689      1.00000
     44     -12.0238      1.00000
     45     -11.6666      1.00000
     46     -11.6621      1.00000
     47     -11.1376      1.00000
     48     -11.1272      1.00000
     49     -10.7905      1.00000
     50     -10.7365      1.00000
     51     -10.5304      1.00000
     52     -10.2101      1.00000
     53     -10.2041      1.00000
     54     -10.1718      1.00000
     55     -10.0239      1.00000
     56      -9.9953      1.00000
     57      -9.9920      1.00000
     58      -9.8070      1.00000
     59      -9.7982      1.00000
     60      -9.7667      1.00000
     61      -9.7582      1.00000
     62      -9.4555      1.00000
     63      -9.4169      1.00000
     64      -9.0860      1.00000
     65      -9.0475      1.00000
     66      -9.0265      1.00000
     67      -8.9718      1.00000
     68      -8.8973      1.00000
     69      -8.7101      1.00000
     70      -8.7014      1.00000
     71      -8.5615      1.00000
     72      -8.5504      1.00000
     73      -8.4801      1.00000
     74      -8.4624      1.00000
     75      -8.4582      1.00000
     76      -8.3055      1.00000
     77      -8.0952      1.00000
     78      -8.0918      1.00000
     79      -7.9286      1.00000
     80      -7.8333      1.00000
     81      -7.6015      1.00000
     82      -7.5390      1.00000
     83      -7.4522      1.00000
     84      -7.3023      1.00000
     85      -6.9955      1.00000
     86      -6.9210      1.00000
     87      -6.8829      1.00000
     88      -6.5295      1.00000
     89      -6.5161      1.00000
     90      -6.4825      1.00000
     91      -6.4214      1.00000
     92      -5.9264      1.00000
     93      -5.9048      1.00000
     94      -5.7898      1.00000
     95      -5.7754      1.00000
     96      -5.3681      1.00000
     97      -5.3621      1.00000
     98      -5.2226      1.00000
     99      -5.2162      1.00000
    100      -5.1993      1.00000
    101      -4.7173      1.00000
    102      -4.4345      1.00000
    103      -4.1872      1.00000
    104      -3.8124      1.00000
    105      -3.5580      1.00000
    106      -3.2228      1.00000
    107      -2.5641      0.00000
    108      -1.4617      0.00000
    109      -1.2699      0.00000
    110      -1.1877      0.00000
    111      -1.1855      0.00000
    112      -0.6463      0.00000
    113      -0.5538      0.00000
    114      -0.4155      0.00000
    115      -0.3495      0.00000
    116      -0.0795      0.00000
    117      -0.0660      0.00000
    118       0.1252      0.00000
    119       0.5908      0.00000
    120       0.6259      0.00000
    121       0.8609      0.00000
    122       0.9937      0.00000
    123       1.0074      0.00000
    124       1.4966      0.00000
    125       1.6901      0.00000
    126       1.7912      0.00000
    127       1.8736      0.00000
    128       2.1069      0.00000
    129       2.1266      0.00000
    130       2.1771      0.00000
    131       2.2098      0.00000
    132       2.2481      0.00000
    133       2.3335      0.00000
    134       2.4862      0.00000
    135       2.5025      0.00000
    136       2.6753      0.00000
    137       2.8512      0.00000
    138       2.8606      0.00000
    139       2.9630      0.00000
    140       3.0056      0.00000
    141       3.0465      0.00000
    142       3.1457      0.00000
    143       3.1617      0.00000
    144       3.2523      0.00000
    145       3.2544      0.00000
    146       3.2827      0.00000
    147       3.3116      0.00000
    148       3.3621      0.00000
    149       3.4268      0.00000
    150       3.5600      0.00000
    151       3.5733      0.00000
    152       3.6541      0.00000
    153       3.6577      0.00000
    154       3.6761      0.00000
    155       3.7094      0.00000
    156       3.9065      0.00000
    157       3.9621      0.00000
    158       4.0468      0.00000
    159       4.0966      0.00000
    160       4.2013      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2839      1.00000
      2     -22.0803      1.00000
      3     -21.7217      1.00000
      4     -21.6829      1.00000
      5     -20.9839      1.00000
      6     -20.9370      1.00000
      7     -20.6126      1.00000
      8     -20.5811      1.00000
      9     -20.5676      1.00000
     10     -20.0342      1.00000
     11     -19.5140      1.00000
     12     -19.4847      1.00000
     13     -19.3130      1.00000
     14     -19.3001      1.00000
     15     -18.4510      1.00000
     16     -18.4086      1.00000
     17     -17.9289      1.00000
     18     -17.9088      1.00000
     19     -17.7673      1.00000
     20     -17.7232      1.00000
     21     -17.4431      1.00000
     22     -17.4248      1.00000
     23     -17.3409      1.00000
     24     -16.4717      1.00000
     25     -16.4613      1.00000
     26     -15.9716      1.00000
     27     -15.4123      1.00000
     28     -15.4115      1.00000
     29     -15.0974      1.00000
     30     -15.0943      1.00000
     31     -14.8555      1.00000
     32     -14.8436      1.00000
     33     -14.2986      1.00000
     34     -14.2560      1.00000
     35     -13.4450      1.00000
     36     -13.4024      1.00000
     37     -13.1767      1.00000
     38     -13.1756      1.00000
     39     -12.9869      1.00000
     40     -12.9780      1.00000
     41     -12.6125      1.00000
     42     -12.6107      1.00000
     43     -12.1986      1.00000
     44     -11.5803      1.00000
     45     -11.5399      1.00000
     46     -11.3150      1.00000
     47     -11.2849      1.00000
     48     -11.1436      1.00000
     49     -10.6916      1.00000
     50     -10.6647      1.00000
     51     -10.5441      1.00000
     52     -10.3240      1.00000
     53     -10.3165      1.00000
     54     -10.1764      1.00000
     55     -10.1231      1.00000
     56     -10.1089      1.00000
     57      -9.8123      1.00000
     58      -9.7534      1.00000
     59      -9.7532      1.00000
     60      -9.7045      1.00000
     61      -9.7004      1.00000
     62      -9.6473      1.00000
     63      -9.3545      1.00000
     64      -9.3528      1.00000
     65      -9.3192      1.00000
     66      -9.0279      1.00000
     67      -8.9638      1.00000
     68      -8.9592      1.00000
     69      -8.7763      1.00000
     70      -8.5933      1.00000
     71      -8.5866      1.00000
     72      -8.4238      1.00000
     73      -8.3504      1.00000
     74      -8.3241      1.00000
     75      -8.3036      1.00000
     76      -8.2684      1.00000
     77      -8.2566      1.00000
     78      -8.2416      1.00000
     79      -7.9262      1.00000
     80      -7.7367      1.00000
     81      -7.3802      1.00000
     82      -7.3516      1.00000
     83      -7.3130      1.00000
     84      -7.2182      1.00000
     85      -7.1595      1.00000
     86      -7.0686      1.00000
     87      -6.9610      1.00000
     88      -6.9078      1.00000
     89      -6.6156      1.00000
     90      -6.5579      1.00000
     91      -6.2736      1.00000
     92      -5.9962      1.00000
     93      -5.9598      1.00000
     94      -5.6749      1.00000
     95      -5.6481      1.00000
     96      -5.3863      1.00000
     97      -5.3165      1.00000
     98      -5.2938      1.00000
     99      -5.2134      1.00000
    100      -5.2012      1.00000
    101      -4.5026      1.00000
    102      -4.3315      1.00000
    103      -3.9953      1.00000
    104      -3.8847      1.00000
    105      -3.7876      1.00000
    106      -3.4381      1.00000
    107      -2.0344      0.00000
    108      -1.8660      0.00000
    109      -1.2178      0.00000
    110      -1.1867      0.00000
    111      -1.0373      0.00000
    112      -0.7741      0.00000
    113      -0.6795      0.00000
    114      -0.6616      0.00000
    115      -0.6110      0.00000
    116      -0.1038      0.00000
    117       0.2209      0.00000
    118       0.2380      0.00000
    119       0.7771      0.00000
    120       0.9896      0.00000
    121       1.0745      0.00000
    122       1.2410      0.00000
    123       1.2513      0.00000
    124       1.3452      0.00000
    125       1.5807      0.00000
    126       1.5840      0.00000
    127       1.7211      0.00000
    128       1.7921      0.00000
    129       1.9560      0.00000
    130       1.9828      0.00000
    131       2.0519      0.00000
    132       2.2618      0.00000
    133       2.3416      0.00000
    134       2.4313      0.00000
    135       2.5503      0.00000
    136       2.6343      0.00000
    137       2.7315      0.00000
    138       2.7962      0.00000
    139       2.8544      0.00000
    140       2.8697      0.00000
    141       3.0467      0.00000
    142       3.1097      0.00000
    143       3.1683      0.00000
    144       3.2267      0.00000
    145       3.3753      0.00000
    146       3.4203      0.00000
    147       3.5151      0.00000
    148       3.5575      0.00000
    149       3.5921      0.00000
    150       3.6115      0.00000
    151       3.6559      0.00000
    152       3.7411      0.00000
    153       3.7546      0.00000
    154       3.7632      0.00000
    155       3.7818      0.00000
    156       3.8772      0.00000
    157       4.0240      0.00000
    158       4.1004      0.00000
    159       4.1816      0.00000
    160       4.2209      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4274      1.00000
      2     -21.6021      1.00000
      3     -21.4826      1.00000
      4     -21.4736      1.00000
      5     -21.4432      1.00000
      6     -21.4426      1.00000
      7     -21.4331      1.00000
      8     -19.7076      1.00000
      9     -19.6541      1.00000
     10     -19.6311      1.00000
     11     -19.6204      1.00000
     12     -19.6149      1.00000
     13     -19.6137      1.00000
     14     -18.7909      1.00000
     15     -18.7561      1.00000
     16     -18.7367      1.00000
     17     -18.7268      1.00000
     18     -18.7205      1.00000
     19     -18.7146      1.00000
     20     -16.6353      1.00000
     21     -16.6109      1.00000
     22     -16.5860      1.00000
     23     -16.5818      1.00000
     24     -16.5570      1.00000
     25     -16.5547      1.00000
     26     -15.6144      1.00000
     27     -15.6038      1.00000
     28     -15.6004      1.00000
     29     -15.5674      1.00000
     30     -15.5651      1.00000
     31     -15.5632      1.00000
     32     -14.2611      1.00000
     33     -14.2518      1.00000
     34     -14.2416      1.00000
     35     -14.2376      1.00000
     36     -14.2243      1.00000
     37     -14.2215      1.00000
     38     -11.9057      1.00000
     39     -11.8800      1.00000
     40     -11.8697      1.00000
     41     -11.8665      1.00000
     42     -11.8468      1.00000
     43     -11.8466      1.00000
     44     -11.7721      1.00000
     45     -11.7697      1.00000
     46     -11.7379      1.00000
     47     -11.7310      1.00000
     48     -11.7271      1.00000
     49     -11.7244      1.00000
     50     -10.6729      1.00000
     51     -10.3894      1.00000
     52     -10.3855      1.00000
     53     -10.3786      1.00000
     54     -10.3695      1.00000
     55     -10.3577      1.00000
     56     -10.3554      1.00000
     57      -9.9013      1.00000
     58      -9.4491      1.00000
     59      -9.4059      1.00000
     60      -9.3640      1.00000
     61      -9.3633      1.00000
     62      -9.3561      1.00000
     63      -9.1432      1.00000
     64      -9.1223      1.00000
     65      -9.1223      1.00000
     66      -9.0865      1.00000
     67      -9.0739      1.00000
     68      -9.0734      1.00000
     69      -9.0733      1.00000
     70      -9.0663      1.00000
     71      -9.0652      1.00000
     72      -9.0405      1.00000
     73      -9.0309      1.00000
     74      -9.0271      1.00000
     75      -8.1373      1.00000
     76      -7.7320      1.00000
     77      -7.4704      1.00000
     78      -7.4680      1.00000
     79      -7.4557      1.00000
     80      -7.4370      1.00000
     81      -7.4257      1.00000
     82      -7.4095      1.00000
     83      -7.3120      1.00000
     84      -7.2712      1.00000
     85      -7.2580      1.00000
     86      -7.2494      1.00000
     87      -7.1571      1.00000
     88      -7.0463      1.00000
     89      -6.4474      1.00000
     90      -6.4156      1.00000
     91      -6.4003      1.00000
     92      -6.3652      1.00000
     93      -6.3540      1.00000
     94      -6.3408      1.00000
     95      -5.9609      1.00000
     96      -5.9594      1.00000
     97      -4.7958      1.00000
     98      -4.5401      1.00000
     99      -4.4824      1.00000
    100      -4.4710      1.00000
    101      -4.3841      1.00000
    102      -4.3830      1.00000
    103      -4.2658      1.00000
    104      -4.1847      1.00000
    105      -3.7341      1.00000
    106      -3.4707      1.00000
    107      -1.8606      0.00000
    108      -1.6738      0.00000
    109      -1.6258      0.00000
    110      -1.5934      0.00000
    111      -1.5775      0.00000
    112      -1.5769      0.00000
    113      -0.4285      0.00000
    114       0.1411      0.00000
    115       0.1913      0.00000
    116       0.2538      0.00000
    117       0.2661      0.00000
    118       0.2692      0.00000
    119       0.4745      0.00000
    120       0.5563      0.00000
    121       1.2561      0.00000
    122       1.2898      0.00000
    123       1.5416      0.00000
    124       1.7688      0.00000
    125       1.7807      0.00000
    126       1.7832      0.00000
    127       1.7844      0.00000
    128       1.8325      0.00000
    129       1.9567      0.00000
    130       1.9714      0.00000
    131       1.9731      0.00000
    132       1.9872      0.00000
    133       1.9943      0.00000
    134       2.0855      0.00000
    135       2.2643      0.00000
    136       2.3370      0.00000
    137       2.6348      0.00000
    138       2.6352      0.00000
    139       2.6664      0.00000
    140       2.7159      0.00000
    141       2.9503      0.00000
    142       3.0216      0.00000
    143       3.0320      0.00000
    144       3.0581      0.00000
    145       3.0593      0.00000
    146       3.0621      0.00000
    147       3.0915      0.00000
    148       3.2787      0.00000
    149       3.4454      0.00000
    150       3.5193      0.00000
    151       3.8164      0.00000
    152       3.9576      0.00000
    153       3.9610      0.00000
    154       3.9623      0.00000
    155       3.9669      0.00000
    156       4.0019      0.00000
    157       4.1904      0.00000
    158       4.2679      0.00000
    159       4.2758      0.00000
    160       4.2894      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3907      1.00000
      2     -21.8314      1.00000
      3     -21.6401      1.00000
      4     -21.6122      1.00000
      5     -21.2759      1.00000
      6     -21.2372      1.00000
      7     -21.0590      1.00000
      8     -20.1689      1.00000
      9     -20.1312      1.00000
     10     -19.6101      1.00000
     11     -19.5992      1.00000
     12     -19.4188      1.00000
     13     -19.0909      1.00000
     14     -19.0617      1.00000
     15     -19.0507      1.00000
     16     -19.0435      1.00000
     17     -18.3623      1.00000
     18     -18.3541      1.00000
     19     -18.0205      1.00000
     20     -17.0698      1.00000
     21     -17.0314      1.00000
     22     -16.9455      1.00000
     23     -16.9427      1.00000
     24     -16.4693      1.00000
     25     -16.4656      1.00000
     26     -15.6149      1.00000
     27     -15.6094      1.00000
     28     -15.2535      1.00000
     29     -15.2450      1.00000
     30     -15.1861      1.00000
     31     -15.1000      1.00000
     32     -15.0733      1.00000
     33     -14.7002      1.00000
     34     -14.6982      1.00000
     35     -13.7281      1.00000
     36     -13.7255      1.00000
     37     -13.2374      1.00000
     38     -12.6154      1.00000
     39     -12.5860      1.00000
     40     -12.4560      1.00000
     41     -12.4524      1.00000
     42     -12.1106      1.00000
     43     -12.1060      1.00000
     44     -11.7188      1.00000
     45     -11.6882      1.00000
     46     -11.2364      1.00000
     47     -11.2283      1.00000
     48     -11.0193      1.00000
     49     -11.0113      1.00000
     50     -10.9280      1.00000
     51     -10.9071      1.00000
     52     -10.6272      1.00000
     53     -10.1568      1.00000
     54     -10.1529      1.00000
     55     -10.0935      1.00000
     56      -9.9972      1.00000
     57      -9.7039      1.00000
     58      -9.6967      1.00000
     59      -9.6572      1.00000
     60      -9.5927      1.00000
     61      -9.5784      1.00000
     62      -9.5599      1.00000
     63      -9.3085      1.00000
     64      -9.3049      1.00000
     65      -9.2747      1.00000
     66      -9.2381      1.00000
     67      -9.1372      1.00000
     68      -9.1170      1.00000
     69      -9.1133      1.00000
     70      -8.9411      1.00000
     71      -8.8741      1.00000
     72      -8.6063      1.00000
     73      -8.5924      1.00000
     74      -8.2397      1.00000
     75      -8.1023      1.00000
     76      -7.9098      1.00000
     77      -7.8654      1.00000
     78      -7.7733      1.00000
     79      -7.7588      1.00000
     80      -7.6962      1.00000
     81      -7.5536      1.00000
     82      -7.3408      1.00000
     83      -7.3250      1.00000
     84      -7.2061      1.00000
     85      -7.1227      1.00000
     86      -7.0330      1.00000
     87      -7.0140      1.00000
     88      -6.7048      1.00000
     89      -6.6795      1.00000
     90      -6.6420      1.00000
     91      -6.5978      1.00000
     92      -6.1182      1.00000
     93      -6.0629      1.00000
     94      -6.0321      1.00000
     95      -6.0125      1.00000
     96      -5.7830      1.00000
     97      -4.9682      1.00000
     98      -4.8316      1.00000
     99      -4.7473      1.00000
    100      -4.6794      1.00000
    101      -4.4617      1.00000
    102      -4.1996      1.00000
    103      -4.1716      1.00000
    104      -4.1279      1.00000
    105      -3.7249      1.00000
    106      -3.4806      1.00000
    107      -1.8705      0.00000
    108      -1.8112      0.00000
    109      -1.5248      0.00000
    110      -1.3795      0.00000
    111      -1.3235      0.00000
    112      -1.2900      0.00000
    113      -0.7208      0.00000
    114      -0.3772      0.00000
    115      -0.2524      0.00000
    116       0.0346      0.00000
    117       0.5605      0.00000
    118       0.6974      0.00000
    119       0.7454      0.00000
    120       1.0466      0.00000
    121       1.0980      0.00000
    122       1.1531      0.00000
    123       1.2266      0.00000
    124       1.3860      0.00000
    125       1.5279      0.00000
    126       1.5956      0.00000
    127       1.7189      0.00000
    128       1.7958      0.00000
    129       1.8557      0.00000
    130       1.8820      0.00000
    131       2.0960      0.00000
    132       2.1999      0.00000
    133       2.2452      0.00000
    134       2.3201      0.00000
    135       2.5235      0.00000
    136       2.6069      0.00000
    137       2.6090      0.00000
    138       2.7820      0.00000
    139       2.7924      0.00000
    140       2.8229      0.00000
    141       2.8269      0.00000
    142       2.9005      0.00000
    143       2.9317      0.00000
    144       3.1018      0.00000
    145       3.1686      0.00000
    146       3.3175      0.00000
    147       3.3500      0.00000
    148       3.3997      0.00000
    149       3.4697      0.00000
    150       3.6042      0.00000
    151       3.6422      0.00000
    152       3.6630      0.00000
    153       3.7108      0.00000
    154       3.9204      0.00000
    155       3.9632      0.00000
    156       4.0227      0.00000
    157       4.0688      0.00000
    158       4.2434      0.00000
    159       4.2559      0.00000
    160       4.2802      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2842      1.00000
      2     -22.0797      1.00000
      3     -21.7184      1.00000
      4     -21.6867      1.00000
      5     -20.9806      1.00000
      6     -20.9407      1.00000
      7     -20.6130      1.00000
      8     -20.5772      1.00000
      9     -20.5707      1.00000
     10     -20.0343      1.00000
     11     -19.5047      1.00000
     12     -19.4932      1.00000
     13     -19.3089      1.00000
     14     -19.3037      1.00000
     15     -18.4488      1.00000
     16     -18.4126      1.00000
     17     -17.9238      1.00000
     18     -17.9149      1.00000
     19     -17.7627      1.00000
     20     -17.7273      1.00000
     21     -17.4375      1.00000
     22     -17.4306      1.00000
     23     -17.3422      1.00000
     24     -16.4646      1.00000
     25     -16.4637      1.00000
     26     -15.9689      1.00000
     27     -15.4156      1.00000
     28     -15.4108      1.00000
     29     -15.0981      1.00000
     30     -15.0949      1.00000
     31     -14.8560      1.00000
     32     -14.8486      1.00000
     33     -14.2918      1.00000
     34     -14.2595      1.00000
     35     -13.4380      1.00000
     36     -13.4062      1.00000
     37     -13.1789      1.00000
     38     -13.1756      1.00000
     39     -12.9836      1.00000
     40     -12.9788      1.00000
     41     -12.6145      1.00000
     42     -12.6114      1.00000
     43     -12.1993      1.00000
     44     -11.5779      1.00000
     45     -11.5445      1.00000
     46     -11.3122      1.00000
     47     -11.2897      1.00000
     48     -11.1435      1.00000
     49     -10.6767      1.00000
     50     -10.6625      1.00000
     51     -10.5494      1.00000
     52     -10.3245      1.00000
     53     -10.3193      1.00000
     54     -10.1716      1.00000
     55     -10.1170      1.00000
     56     -10.1139      1.00000
     57      -9.7990      1.00000
     58      -9.7655      1.00000
     59      -9.7535      1.00000
     60      -9.7021      1.00000
     61      -9.6993      1.00000
     62      -9.6623      1.00000
     63      -9.3559      1.00000
     64      -9.3535      1.00000
     65      -9.3175      1.00000
     66      -9.0414      1.00000
     67      -8.9641      1.00000
     68      -8.9502      1.00000
     69      -8.7994      1.00000
     70      -8.5958      1.00000
     71      -8.5597      1.00000
     72      -8.3983      1.00000
     73      -8.3656      1.00000
     74      -8.3257      1.00000
     75      -8.3080      1.00000
     76      -8.2610      1.00000
     77      -8.2585      1.00000
     78      -8.2383      1.00000
     79      -7.9093      1.00000
     80      -7.6518      1.00000
     81      -7.5425      1.00000
     82      -7.3878      1.00000
     83      -7.3516      1.00000
     84      -7.2334      1.00000
     85      -7.0990      1.00000
     86      -7.0392      1.00000
     87      -6.9355      1.00000
     88      -6.8470      1.00000
     89      -6.6142      1.00000
     90      -6.5611      1.00000
     91      -6.2714      1.00000
     92      -6.0426      1.00000
     93      -5.9519      1.00000
     94      -5.6624      1.00000
     95      -5.6239      1.00000
     96      -5.4603      1.00000
     97      -5.3192      1.00000
     98      -5.2791      1.00000
     99      -5.2143      1.00000
    100      -5.1959      1.00000
    101      -4.4986      1.00000
    102      -4.2031      1.00000
    103      -4.0559      1.00000
    104      -3.9901      1.00000
    105      -3.6910      1.00000
    106      -3.4907      1.00000
    107      -1.9466      0.00000
    108      -1.8990      0.00000
    109      -1.3377      0.00000
    110      -1.0868      0.00000
    111      -1.0605      0.00000
    112      -0.8022      0.00000
    113      -0.6795      0.00000
    114      -0.6486      0.00000
    115      -0.6093      0.00000
    116      -0.1100      0.00000
    117       0.2134      0.00000
    118       0.3272      0.00000
    119       0.7009      0.00000
    120       0.8907      0.00000
    121       1.1251      0.00000
    122       1.1983      0.00000
    123       1.3330      0.00000
    124       1.4278      0.00000
    125       1.5560      0.00000
    126       1.5772      0.00000
    127       1.6951      0.00000
    128       1.8092      0.00000
    129       1.8839      0.00000
    130       2.0574      0.00000
    131       2.1060      0.00000
    132       2.3000      0.00000
    133       2.3523      0.00000
    134       2.4129      0.00000
    135       2.5599      0.00000
    136       2.6361      0.00000
    137       2.7232      0.00000
    138       2.7385      0.00000
    139       2.7933      0.00000
    140       2.8853      0.00000
    141       3.0511      0.00000
    142       3.0641      0.00000
    143       3.1765      0.00000
    144       3.2721      0.00000
    145       3.3675      0.00000
    146       3.4239      0.00000
    147       3.4451      0.00000
    148       3.5658      0.00000
    149       3.5834      0.00000
    150       3.6057      0.00000
    151       3.6595      0.00000
    152       3.6815      0.00000
    153       3.7691      0.00000
    154       3.7760      0.00000
    155       3.8108      0.00000
    156       3.8927      0.00000
    157       3.9355      0.00000
    158       3.9967      0.00000
    159       4.2214      0.00000
    160       4.2291      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3184      1.00000
      2     -21.9636      1.00000
      3     -21.8963      1.00000
      4     -21.3824      1.00000
      5     -21.3537      1.00000
      6     -20.8404      1.00000
      7     -20.7770      1.00000
      8     -20.6256      1.00000
      9     -20.0791      1.00000
     10     -20.0738      1.00000
     11     -19.7184      1.00000
     12     -19.6943      1.00000
     13     -18.9979      1.00000
     14     -18.9923      1.00000
     15     -18.6426      1.00000
     16     -18.6270      1.00000
     17     -18.4634      1.00000
     18     -17.6756      1.00000
     19     -17.6263      1.00000
     20     -17.6232      1.00000
     21     -17.5824      1.00000
     22     -17.1277      1.00000
     23     -17.1071      1.00000
     24     -16.9653      1.00000
     25     -16.0044      1.00000
     26     -15.9302      1.00000
     27     -15.5875      1.00000
     28     -15.5875      1.00000
     29     -15.2873      1.00000
     30     -14.8659      1.00000
     31     -14.8393      1.00000
     32     -14.5795      1.00000
     33     -14.5391      1.00000
     34     -14.1702      1.00000
     35     -14.1569      1.00000
     36     -13.1506      1.00000
     37     -13.1014      1.00000
     38     -13.0317      1.00000
     39     -13.0210      1.00000
     40     -12.7104      1.00000
     41     -12.7066      1.00000
     42     -12.3430      1.00000
     43     -12.3127      1.00000
     44     -11.6370      1.00000
     45     -11.6241      1.00000
     46     -11.5734      1.00000
     47     -10.9510      1.00000
     48     -10.9182      1.00000
     49     -10.6318      1.00000
     50     -10.6258      1.00000
     51     -10.5463      1.00000
     52     -10.5020      1.00000
     53     -10.5012      1.00000
     54     -10.4422      1.00000
     55     -10.3616      1.00000
     56     -10.0993      1.00000
     57      -9.9049      1.00000
     58      -9.6088      1.00000
     59      -9.5584      1.00000
     60      -9.4541      1.00000
     61      -9.4142      1.00000
     62      -9.4062      1.00000
     63      -9.3789      1.00000
     64      -9.3787      1.00000
     65      -9.2873      1.00000
     66      -9.1698      1.00000
     67      -9.1452      1.00000
     68      -9.1161      1.00000
     69      -8.8662      1.00000
     70      -8.8595      1.00000
     71      -8.8158      1.00000
     72      -8.5982      1.00000
     73      -8.4805      1.00000
     74      -8.2008      1.00000
     75      -8.1650      1.00000
     76      -8.0134      1.00000
     77      -7.9576      1.00000
     78      -7.8523      1.00000
     79      -7.8420      1.00000
     80      -7.7083      1.00000
     81      -7.6979      1.00000
     82      -7.6256      1.00000
     83      -7.4462      1.00000
     84      -7.3057      1.00000
     85      -7.2469      1.00000
     86      -6.9087      1.00000
     87      -6.8943      1.00000
     88      -6.5897      1.00000
     89      -6.5514      1.00000
     90      -6.4091      1.00000
     91      -6.2549      1.00000
     92      -6.2336      1.00000
     93      -6.2066      1.00000
     94      -6.0226      1.00000
     95      -5.5489      1.00000
     96      -5.4881      1.00000
     97      -5.3483      1.00000
     98      -5.2204      1.00000
     99      -4.9808      1.00000
    100      -4.7285      1.00000
    101      -4.6776      1.00000
    102      -4.3831      1.00000
    103      -4.1985      1.00000
    104      -3.8645      1.00000
    105      -3.5471      1.00000
    106      -3.5019      1.00000
    107      -2.2581      0.00000
    108      -1.4546      0.00000
    109      -1.3744      0.00000
    110      -1.2429      0.00000
    111      -1.0988      0.00000
    112      -0.9467      0.00000
    113      -0.8659      0.00000
    114      -0.8057      0.00000
    115      -0.1414      0.00000
    116       0.1069      0.00000
    117       0.2394      0.00000
    118       0.3757      0.00000
    119       0.6593      0.00000
    120       0.8337      0.00000
    121       0.9357      0.00000
    122       1.0681      0.00000
    123       1.2422      0.00000
    124       1.4470      0.00000
    125       1.5712      0.00000
    126       1.7657      0.00000
    127       1.7904      0.00000
    128       1.8612      0.00000
    129       1.9885      0.00000
    130       2.0379      0.00000
    131       2.1825      0.00000
    132       2.1919      0.00000
    133       2.4212      0.00000
    134       2.4236      0.00000
    135       2.5001      0.00000
    136       2.6034      0.00000
    137       2.6330      0.00000
    138       2.7066      0.00000
    139       2.7822      0.00000
    140       2.8485      0.00000
    141       2.9679      0.00000
    142       3.0888      0.00000
    143       3.1792      0.00000
    144       3.2076      0.00000
    145       3.2351      0.00000
    146       3.3270      0.00000
    147       3.3270      0.00000
    148       3.4739      0.00000
    149       3.5186      0.00000
    150       3.6982      0.00000
    151       3.7221      0.00000
    152       3.7287      0.00000
    153       3.8672      0.00000
    154       3.9041      0.00000
    155       3.9526      0.00000
    156       3.9785      0.00000
    157       3.9918      0.00000
    158       4.0340      0.00000
    159       4.0552      0.00000
    160       4.0586      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2101      1.00000
      2     -22.1202      1.00000
      3     -21.9590      1.00000
      4     -21.4061      1.00000
      5     -21.0511      1.00000
      6     -21.0159      1.00000
      7     -20.5017      1.00000
      8     -20.4631      1.00000
      9     -20.2968      1.00000
     10     -20.2777      1.00000
     11     -19.9586      1.00000
     12     -19.8945      1.00000
     13     -18.8835      1.00000
     14     -18.8165      1.00000
     15     -18.3538      1.00000
     16     -18.3081      1.00000
     17     -18.1549      1.00000
     18     -18.1381      1.00000
     19     -17.8281      1.00000
     20     -17.7907      1.00000
     21     -17.2531      1.00000
     22     -17.2441      1.00000
     23     -17.1661      1.00000
     24     -17.1350      1.00000
     25     -16.1121      1.00000
     26     -15.8868      1.00000
     27     -15.8719      1.00000
     28     -15.8367      1.00000
     29     -15.2377      1.00000
     30     -14.5567      1.00000
     31     -14.5293      1.00000
     32     -14.2815      1.00000
     33     -13.9652      1.00000
     34     -13.9584      1.00000
     35     -13.8217      1.00000
     36     -13.8071      1.00000
     37     -13.6163      1.00000
     38     -13.5726      1.00000
     39     -13.3720      1.00000
     40     -12.6365      1.00000
     41     -12.1825      1.00000
     42     -12.1348      1.00000
     43     -12.0734      1.00000
     44     -12.0221      1.00000
     45     -11.6712      1.00000
     46     -11.6580      1.00000
     47     -11.1405      1.00000
     48     -11.1206      1.00000
     49     -10.7962      1.00000
     50     -10.7336      1.00000
     51     -10.5233      1.00000
     52     -10.2097      1.00000
     53     -10.2073      1.00000
     54     -10.1662      1.00000
     55     -10.0193      1.00000
     56     -10.0059      1.00000
     57      -9.9927      1.00000
     58      -9.8033      1.00000
     59      -9.7995      1.00000
     60      -9.7645      1.00000
     61      -9.7600      1.00000
     62      -9.4568      1.00000
     63      -9.4172      1.00000
     64      -9.0804      1.00000
     65      -9.0741      1.00000
     66      -9.0436      1.00000
     67      -8.9565      1.00000
     68      -8.8777      1.00000
     69      -8.7138      1.00000
     70      -8.7017      1.00000
     71      -8.5679      1.00000
     72      -8.5452      1.00000
     73      -8.4998      1.00000
     74      -8.4650      1.00000
     75      -8.4549      1.00000
     76      -8.2597      1.00000
     77      -8.1267      1.00000
     78      -8.0437      1.00000
     79      -7.9180      1.00000
     80      -7.8624      1.00000
     81      -7.6179      1.00000
     82      -7.5495      1.00000
     83      -7.4950      1.00000
     84      -7.2611      1.00000
     85      -6.9963      1.00000
     86      -6.9258      1.00000
     87      -6.8852      1.00000
     88      -6.5344      1.00000
     89      -6.4887      1.00000
     90      -6.4610      1.00000
     91      -6.4118      1.00000
     92      -5.9823      1.00000
     93      -5.8969      1.00000
     94      -5.7849      1.00000
     95      -5.7612      1.00000
     96      -5.4297      1.00000
     97      -5.3284      1.00000
     98      -5.2310      1.00000
     99      -5.2178      1.00000
    100      -5.1905      1.00000
    101      -4.6896      1.00000
    102      -4.4155      1.00000
    103      -4.2048      1.00000
    104      -3.8263      1.00000
    105      -3.5210      1.00000
    106      -3.2758      1.00000
    107      -2.5329      0.00000
    108      -1.4564      0.00000
    109      -1.2697      0.00000
    110      -1.2048      0.00000
    111      -1.1738      0.00000
    112      -0.7211      0.00000
    113      -0.5057      0.00000
    114      -0.4140      0.00000
    115      -0.3414      0.00000
    116      -0.1476      0.00000
    117      -0.0051      0.00000
    118       0.1918      0.00000
    119       0.5590      0.00000
    120       0.6114      0.00000
    121       0.8029      0.00000
    122       0.9123      0.00000
    123       1.1394      0.00000
    124       1.5027      0.00000
    125       1.6421      0.00000
    126       1.8702      0.00000
    127       1.9380      0.00000
    128       2.1109      0.00000
    129       2.1163      0.00000
    130       2.1288      0.00000
    131       2.1680      0.00000
    132       2.2788      0.00000
    133       2.3162      0.00000
    134       2.4528      0.00000
    135       2.5754      0.00000
    136       2.6647      0.00000
    137       2.8617      0.00000
    138       2.8714      0.00000
    139       2.9030      0.00000
    140       3.0178      0.00000
    141       3.0315      0.00000
    142       3.1505      0.00000
    143       3.1518      0.00000
    144       3.2332      0.00000
    145       3.2768      0.00000
    146       3.2899      0.00000
    147       3.3085      0.00000
    148       3.3531      0.00000
    149       3.4354      0.00000
    150       3.4533      0.00000
    151       3.5587      0.00000
    152       3.6229      0.00000
    153       3.6747      0.00000
    154       3.7086      0.00000
    155       3.7865      0.00000
    156       3.9032      0.00000
    157       3.9432      0.00000
    158       4.0122      0.00000
    159       4.1524      0.00000
    160       4.2374      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3182      1.00000
      2     -21.9652      1.00000
      3     -21.8948      1.00000
      4     -21.3859      1.00000
      5     -21.3502      1.00000
      6     -20.8405      1.00000
      7     -20.7757      1.00000
      8     -20.6267      1.00000
      9     -20.0907      1.00000
     10     -20.0627      1.00000
     11     -19.7202      1.00000
     12     -19.6917      1.00000
     13     -19.0108      1.00000
     14     -18.9806      1.00000
     15     -18.6515      1.00000
     16     -18.6186      1.00000
     17     -18.4625      1.00000
     18     -17.6614      1.00000
     19     -17.6486      1.00000
     20     -17.6127      1.00000
     21     -17.5807      1.00000
     22     -17.1384      1.00000
     23     -17.0989      1.00000
     24     -16.9672      1.00000
     25     -16.0091      1.00000
     26     -15.9251      1.00000
     27     -15.6003      1.00000
     28     -15.5773      1.00000
     29     -15.2820      1.00000
     30     -14.8780      1.00000
     31     -14.8313      1.00000
     32     -14.5761      1.00000
     33     -14.5393      1.00000
     34     -14.1652      1.00000
     35     -14.1618      1.00000
     36     -13.1630      1.00000
     37     -13.0976      1.00000
     38     -13.0253      1.00000
     39     -13.0206      1.00000
     40     -12.7194      1.00000
     41     -12.6967      1.00000
     42     -12.3417      1.00000
     43     -12.3155      1.00000
     44     -11.6330      1.00000
     45     -11.6243      1.00000
     46     -11.5722      1.00000
     47     -10.9419      1.00000
     48     -10.9248      1.00000
     49     -10.6669      1.00000
     50     -10.5919      1.00000
     51     -10.5733      1.00000
     52     -10.5024      1.00000
     53     -10.4895      1.00000
     54     -10.4405      1.00000
     55     -10.3581      1.00000
     56     -10.1034      1.00000
     57      -9.8992      1.00000
     58      -9.6101      1.00000
     59      -9.5538      1.00000
     60      -9.4545      1.00000
     61      -9.4194      1.00000
     62      -9.4108      1.00000
     63      -9.3823      1.00000
     64      -9.3735      1.00000
     65      -9.2681      1.00000
     66      -9.1668      1.00000
     67      -9.1428      1.00000
     68      -9.1176      1.00000
     69      -8.8678      1.00000
     70      -8.8617      1.00000
     71      -8.8029      1.00000
     72      -8.5973      1.00000
     73      -8.5259      1.00000
     74      -8.1947      1.00000
     75      -8.1729      1.00000
     76      -8.0792      1.00000
     77      -7.8601      1.00000
     78      -7.8387      1.00000
     79      -7.8212      1.00000
     80      -7.7125      1.00000
     81      -7.6979      1.00000
     82      -7.6022      1.00000
     83      -7.5243      1.00000
     84      -7.3523      1.00000
     85      -7.1652      1.00000
     86      -6.9067      1.00000
     87      -6.8978      1.00000
     88      -6.5932      1.00000
     89      -6.5519      1.00000
     90      -6.4075      1.00000
     91      -6.3029      1.00000
     92      -6.2479      1.00000
     93      -6.2030      1.00000
     94      -6.0040      1.00000
     95      -5.5305      1.00000
     96      -5.4668      1.00000
     97      -5.3134      1.00000
     98      -5.2114      1.00000
     99      -5.0442      1.00000
    100      -4.7215      1.00000
    101      -4.6709      1.00000
    102      -4.4176      1.00000
    103      -4.1909      1.00000
    104      -3.8356      1.00000
    105      -3.6307      1.00000
    106      -3.4136      1.00000
    107      -2.2938      0.00000
    108      -1.5086      0.00000
    109      -1.2724      0.00000
    110      -1.2647      0.00000
    111      -1.0355      0.00000
    112      -0.9805      0.00000
    113      -0.8700      0.00000
    114      -0.8012      0.00000
    115      -0.2625      0.00000
    116       0.2019      0.00000
    117       0.2378      0.00000
    118       0.3585      0.00000
    119       0.6963      0.00000
    120       0.8927      0.00000
    121       0.9228      0.00000
    122       1.0451      0.00000
    123       1.1712      0.00000
    124       1.5131      0.00000
    125       1.5774      0.00000
    126       1.7126      0.00000
    127       1.7788      0.00000
    128       1.8270      0.00000
    129       1.9530      0.00000
    130       2.0042      0.00000
    131       2.1707      0.00000
    132       2.2790      0.00000
    133       2.4219      0.00000
    134       2.4337      0.00000
    135       2.4961      0.00000
    136       2.6007      0.00000
    137       2.6175      0.00000
    138       2.7109      0.00000
    139       2.7605      0.00000
    140       2.8744      0.00000
    141       3.0470      0.00000
    142       3.0882      0.00000
    143       3.1791      0.00000
    144       3.2263      0.00000
    145       3.2377      0.00000
    146       3.2994      0.00000
    147       3.3569      0.00000
    148       3.4597      0.00000
    149       3.5374      0.00000
    150       3.7003      0.00000
    151       3.7189      0.00000
    152       3.7543      0.00000
    153       3.8330      0.00000
    154       3.8877      0.00000
    155       3.9400      0.00000
    156       3.9829      0.00000
    157       3.9977      0.00000
    158       4.0226      0.00000
    159       4.0384      0.00000
    160       4.0801      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3906      1.00000
      2     -21.8317      1.00000
      3     -21.6431      1.00000
      4     -21.6083      1.00000
      5     -21.2800      1.00000
      6     -21.2338      1.00000
      7     -21.0587      1.00000
      8     -20.1727      1.00000
      9     -20.1273      1.00000
     10     -19.6178      1.00000
     11     -19.5923      1.00000
     12     -19.4177      1.00000
     13     -19.0957      1.00000
     14     -19.0578      1.00000
     15     -19.0530      1.00000
     16     -19.0411      1.00000
     17     -18.3681      1.00000
     18     -18.3487      1.00000
     19     -18.0189      1.00000
     20     -17.0737      1.00000
     21     -17.0257      1.00000
     22     -16.9515      1.00000
     23     -16.9375      1.00000
     24     -16.4756      1.00000
     25     -16.4636      1.00000
     26     -15.6111      1.00000
     27     -15.6106      1.00000
     28     -15.2518      1.00000
     29     -15.2403      1.00000
     30     -15.1930      1.00000
     31     -15.1022      1.00000
     32     -15.0703      1.00000
     33     -14.6997      1.00000
     34     -14.6990      1.00000
     35     -13.7267      1.00000
     36     -13.7265      1.00000
     37     -13.2370      1.00000
     38     -12.6248      1.00000
     39     -12.5820      1.00000
     40     -12.4564      1.00000
     41     -12.4509      1.00000
     42     -12.1072      1.00000
     43     -12.1026      1.00000
     44     -11.7225      1.00000
     45     -11.6845      1.00000
     46     -11.2459      1.00000
     47     -11.2264      1.00000
     48     -11.0195      1.00000
     49     -11.0079      1.00000
     50     -10.9293      1.00000
     51     -10.9010      1.00000
     52     -10.6333      1.00000
     53     -10.1736      1.00000
     54     -10.1505      1.00000
     55     -10.0875      1.00000
     56      -9.9898      1.00000
     57      -9.6982      1.00000
     58      -9.6908      1.00000
     59      -9.6722      1.00000
     60      -9.5943      1.00000
     61      -9.5688      1.00000
     62      -9.5533      1.00000
     63      -9.3144      1.00000
     64      -9.3021      1.00000
     65      -9.2828      1.00000
     66      -9.2442      1.00000
     67      -9.1232      1.00000
     68      -9.1146      1.00000
     69      -9.1127      1.00000
     70      -8.9408      1.00000
     71      -8.8768      1.00000
     72      -8.6070      1.00000
     73      -8.5879      1.00000
     74      -8.2728      1.00000
     75      -8.1029      1.00000
     76      -7.8692      1.00000
     77      -7.8446      1.00000
     78      -7.7916      1.00000
     79      -7.7660      1.00000
     80      -7.7584      1.00000
     81      -7.4390      1.00000
     82      -7.3355      1.00000
     83      -7.3249      1.00000
     84      -7.2658      1.00000
     85      -7.1667      1.00000
     86      -7.0169      1.00000
     87      -6.9869      1.00000
     88      -6.7175      1.00000
     89      -6.6926      1.00000
     90      -6.6325      1.00000
     91      -6.5906      1.00000
     92      -6.1189      1.00000
     93      -6.0604      1.00000
     94      -6.0450      1.00000
     95      -6.0293      1.00000
     96      -5.7494      1.00000
     97      -4.9687      1.00000
     98      -4.8377      1.00000
     99      -4.7108      1.00000
    100      -4.6748      1.00000
    101      -4.4779      1.00000
    102      -4.3457      1.00000
    103      -4.1115      1.00000
    104      -4.0545      1.00000
    105      -3.7498      1.00000
    106      -3.4592      1.00000
    107      -1.9501      0.00000
    108      -1.7735      0.00000
    109      -1.4820      0.00000
    110      -1.3572      0.00000
    111      -1.3379      0.00000
    112      -1.2941      0.00000
    113      -0.6806      0.00000
    114      -0.4722      0.00000
    115      -0.2368      0.00000
    116       0.0492      0.00000
    117       0.5943      0.00000
    118       0.6912      0.00000
    119       0.7674      0.00000
    120       1.0187      0.00000
    121       1.0953      0.00000
    122       1.1767      0.00000
    123       1.2510      0.00000
    124       1.3429      0.00000
    125       1.4452      0.00000
    126       1.6096      0.00000
    127       1.7487      0.00000
    128       1.8456      0.00000
    129       1.8548      0.00000
    130       1.8907      0.00000
    131       2.0356      0.00000
    132       2.2242      0.00000
    133       2.2492      0.00000
    134       2.3039      0.00000
    135       2.4832      0.00000
    136       2.6035      0.00000
    137       2.6375      0.00000
    138       2.7735      0.00000
    139       2.7876      0.00000
    140       2.8325      0.00000
    141       2.8394      0.00000
    142       2.8500      0.00000
    143       2.9236      0.00000
    144       3.1082      0.00000
    145       3.3136      0.00000
    146       3.3435      0.00000
    147       3.3778      0.00000
    148       3.4066      0.00000
    149       3.4267      0.00000
    150       3.5916      0.00000
    151       3.6311      0.00000
    152       3.6808      0.00000
    153       3.7370      0.00000
    154       3.9010      0.00000
    155       3.9332      0.00000
    156       3.9531      0.00000
    157       4.1077      0.00000
    158       4.2083      0.00000
    159       4.2609      0.00000
    160       4.2869      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2092      1.00000
      2     -22.1215      1.00000
      3     -21.9586      1.00000
      4     -21.4061      1.00000
      5     -21.0474      1.00000
      6     -21.0196      1.00000
      7     -20.4971      1.00000
      8     -20.4677      1.00000
      9     -20.2881      1.00000
     10     -20.2865      1.00000
     11     -19.9572      1.00000
     12     -19.8959      1.00000
     13     -18.8836      1.00000
     14     -18.8180      1.00000
     15     -18.3390      1.00000
     16     -18.3206      1.00000
     17     -18.1506      1.00000
     18     -18.1436      1.00000
     19     -17.8171      1.00000
     20     -17.7999      1.00000
     21     -17.2588      1.00000
     22     -17.2400      1.00000
     23     -17.1631      1.00000
     24     -17.1366      1.00000
     25     -16.1171      1.00000
     26     -15.8820      1.00000
     27     -15.8712      1.00000
     28     -15.8412      1.00000
     29     -15.2336      1.00000
     30     -14.5521      1.00000
     31     -14.5339      1.00000
     32     -14.2783      1.00000
     33     -13.9758      1.00000
     34     -13.9530      1.00000
     35     -13.8261      1.00000
     36     -13.8040      1.00000
     37     -13.6055      1.00000
     38     -13.5810      1.00000
     39     -13.3719      1.00000
     40     -12.6398      1.00000
     41     -12.1701      1.00000
     42     -12.1447      1.00000
     43     -12.0689      1.00000
     44     -12.0238      1.00000
     45     -11.6666      1.00000
     46     -11.6621      1.00000
     47     -11.1376      1.00000
     48     -11.1272      1.00000
     49     -10.7905      1.00000
     50     -10.7365      1.00000
     51     -10.5304      1.00000
     52     -10.2101      1.00000
     53     -10.2041      1.00000
     54     -10.1718      1.00000
     55     -10.0239      1.00000
     56      -9.9953      1.00000
     57      -9.9920      1.00000
     58      -9.8070      1.00000
     59      -9.7982      1.00000
     60      -9.7667      1.00000
     61      -9.7582      1.00000
     62      -9.4555      1.00000
     63      -9.4169      1.00000
     64      -9.0860      1.00000
     65      -9.0475      1.00000
     66      -9.0265      1.00000
     67      -8.9718      1.00000
     68      -8.8973      1.00000
     69      -8.7101      1.00000
     70      -8.7014      1.00000
     71      -8.5615      1.00000
     72      -8.5504      1.00000
     73      -8.4801      1.00000
     74      -8.4624      1.00000
     75      -8.4582      1.00000
     76      -8.3055      1.00000
     77      -8.0952      1.00000
     78      -8.0918      1.00000
     79      -7.9286      1.00000
     80      -7.8333      1.00000
     81      -7.6015      1.00000
     82      -7.5390      1.00000
     83      -7.4522      1.00000
     84      -7.3023      1.00000
     85      -6.9955      1.00000
     86      -6.9210      1.00000
     87      -6.8829      1.00000
     88      -6.5295      1.00000
     89      -6.5161      1.00000
     90      -6.4825      1.00000
     91      -6.4214      1.00000
     92      -5.9264      1.00000
     93      -5.9048      1.00000
     94      -5.7898      1.00000
     95      -5.7754      1.00000
     96      -5.3681      1.00000
     97      -5.3621      1.00000
     98      -5.2226      1.00000
     99      -5.2162      1.00000
    100      -5.1993      1.00000
    101      -4.7173      1.00000
    102      -4.4345      1.00000
    103      -4.1872      1.00000
    104      -3.8123      1.00000
    105      -3.5580      1.00000
    106      -3.2228      1.00000
    107      -2.5641      0.00000
    108      -1.4617      0.00000
    109      -1.2699      0.00000
    110      -1.1877      0.00000
    111      -1.1855      0.00000
    112      -0.6463      0.00000
    113      -0.5538      0.00000
    114      -0.4155      0.00000
    115      -0.3495      0.00000
    116      -0.0795      0.00000
    117      -0.0660      0.00000
    118       0.1252      0.00000
    119       0.5908      0.00000
    120       0.6260      0.00000
    121       0.8609      0.00000
    122       0.9938      0.00000
    123       1.0074      0.00000
    124       1.4966      0.00000
    125       1.6901      0.00000
    126       1.7912      0.00000
    127       1.8736      0.00000
    128       2.1068      0.00000
    129       2.1266      0.00000
    130       2.1771      0.00000
    131       2.2098      0.00000
    132       2.2481      0.00000
    133       2.3335      0.00000
    134       2.4861      0.00000
    135       2.5025      0.00000
    136       2.6754      0.00000
    137       2.8512      0.00000
    138       2.8606      0.00000
    139       2.9630      0.00000
    140       3.0056      0.00000
    141       3.0465      0.00000
    142       3.1457      0.00000
    143       3.1616      0.00000
    144       3.2523      0.00000
    145       3.2545      0.00000
    146       3.2827      0.00000
    147       3.3116      0.00000
    148       3.3621      0.00000
    149       3.4269      0.00000
    150       3.5600      0.00000
    151       3.5733      0.00000
    152       3.6541      0.00000
    153       3.6577      0.00000
    154       3.6760      0.00000
    155       3.7095      0.00000
    156       3.9065      0.00000
    157       3.9622      0.00000
    158       4.0468      0.00000
    159       4.0967      0.00000
    160       4.2013      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2839      1.00000
      2     -22.0803      1.00000
      3     -21.7217      1.00000
      4     -21.6829      1.00000
      5     -20.9839      1.00000
      6     -20.9370      1.00000
      7     -20.6126      1.00000
      8     -20.5811      1.00000
      9     -20.5676      1.00000
     10     -20.0342      1.00000
     11     -19.5140      1.00000
     12     -19.4847      1.00000
     13     -19.3130      1.00000
     14     -19.3001      1.00000
     15     -18.4510      1.00000
     16     -18.4086      1.00000
     17     -17.9289      1.00000
     18     -17.9088      1.00000
     19     -17.7673      1.00000
     20     -17.7232      1.00000
     21     -17.4431      1.00000
     22     -17.4248      1.00000
     23     -17.3409      1.00000
     24     -16.4717      1.00000
     25     -16.4613      1.00000
     26     -15.9716      1.00000
     27     -15.4123      1.00000
     28     -15.4115      1.00000
     29     -15.0974      1.00000
     30     -15.0943      1.00000
     31     -14.8555      1.00000
     32     -14.8436      1.00000
     33     -14.2986      1.00000
     34     -14.2560      1.00000
     35     -13.4450      1.00000
     36     -13.4024      1.00000
     37     -13.1767      1.00000
     38     -13.1756      1.00000
     39     -12.9869      1.00000
     40     -12.9780      1.00000
     41     -12.6125      1.00000
     42     -12.6107      1.00000
     43     -12.1986      1.00000
     44     -11.5803      1.00000
     45     -11.5399      1.00000
     46     -11.3150      1.00000
     47     -11.2849      1.00000
     48     -11.1436      1.00000
     49     -10.6916      1.00000
     50     -10.6647      1.00000
     51     -10.5441      1.00000
     52     -10.3240      1.00000
     53     -10.3165      1.00000
     54     -10.1764      1.00000
     55     -10.1231      1.00000
     56     -10.1089      1.00000
     57      -9.8123      1.00000
     58      -9.7534      1.00000
     59      -9.7532      1.00000
     60      -9.7045      1.00000
     61      -9.7004      1.00000
     62      -9.6473      1.00000
     63      -9.3545      1.00000
     64      -9.3528      1.00000
     65      -9.3192      1.00000
     66      -9.0279      1.00000
     67      -8.9638      1.00000
     68      -8.9592      1.00000
     69      -8.7763      1.00000
     70      -8.5933      1.00000
     71      -8.5866      1.00000
     72      -8.4238      1.00000
     73      -8.3504      1.00000
     74      -8.3241      1.00000
     75      -8.3036      1.00000
     76      -8.2684      1.00000
     77      -8.2566      1.00000
     78      -8.2416      1.00000
     79      -7.9262      1.00000
     80      -7.7367      1.00000
     81      -7.3802      1.00000
     82      -7.3516      1.00000
     83      -7.3130      1.00000
     84      -7.2182      1.00000
     85      -7.1595      1.00000
     86      -7.0686      1.00000
     87      -6.9610      1.00000
     88      -6.9078      1.00000
     89      -6.6156      1.00000
     90      -6.5579      1.00000
     91      -6.2736      1.00000
     92      -5.9962      1.00000
     93      -5.9598      1.00000
     94      -5.6749      1.00000
     95      -5.6481      1.00000
     96      -5.3863      1.00000
     97      -5.3165      1.00000
     98      -5.2938      1.00000
     99      -5.2134      1.00000
    100      -5.2012      1.00000
    101      -4.5026      1.00000
    102      -4.3315      1.00000
    103      -3.9953      1.00000
    104      -3.8847      1.00000
    105      -3.7875      1.00000
    106      -3.4381      1.00000
    107      -2.0344      0.00000
    108      -1.8660      0.00000
    109      -1.2178      0.00000
    110      -1.1867      0.00000
    111      -1.0373      0.00000
    112      -0.7741      0.00000
    113      -0.6795      0.00000
    114      -0.6616      0.00000
    115      -0.6110      0.00000
    116      -0.1038      0.00000
    117       0.2209      0.00000
    118       0.2380      0.00000
    119       0.7771      0.00000
    120       0.9896      0.00000
    121       1.0745      0.00000
    122       1.2410      0.00000
    123       1.2513      0.00000
    124       1.3452      0.00000
    125       1.5807      0.00000
    126       1.5840      0.00000
    127       1.7211      0.00000
    128       1.7922      0.00000
    129       1.9559      0.00000
    130       1.9828      0.00000
    131       2.0518      0.00000
    132       2.2618      0.00000
    133       2.3416      0.00000
    134       2.4313      0.00000
    135       2.5504      0.00000
    136       2.6343      0.00000
    137       2.7315      0.00000
    138       2.7961      0.00000
    139       2.8544      0.00000
    140       2.8698      0.00000
    141       3.0467      0.00000
    142       3.1097      0.00000
    143       3.1683      0.00000
    144       3.2267      0.00000
    145       3.3753      0.00000
    146       3.4204      0.00000
    147       3.5151      0.00000
    148       3.5576      0.00000
    149       3.5921      0.00000
    150       3.6115      0.00000
    151       3.6560      0.00000
    152       3.7411      0.00000
    153       3.7546      0.00000
    154       3.7631      0.00000
    155       3.7818      0.00000
    156       3.8772      0.00000
    157       4.0240      0.00000
    158       4.1004      0.00000
    159       4.1816      0.00000
    160       4.2210      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0413   -7.3883    4.1993   -1.2759   -0.2393   17.5944    0.1451   -0.5295    0.6316   -0.4632
x    -3.0930   -0.0374   -0.0631    0.0619   -0.0088   -2.9770   -0.0115   -0.0069    0.0048    0.0016
x    -0.0964    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0413    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0089    0.0384    0.0379
y    -0.0450   -3.2457   -0.5410   -0.1621   -1.1885   -0.6058
z   204.0413    1.1026   -0.3120    0.0495    0.0188    0.0867   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1129    0.0003    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8152
z    -0.2188    0.2310   -0.0544    0.0615   -0.0901    0.0009
 total charge-density along one line
x   212.0000  -10.2195    6.1481   -2.0862   -0.4751   19.5140   -0.9990    0.4779   -0.0477   -0.1244
x    -2.6460   -0.0276   -0.0609    0.0847   -0.0532   -2.2243   -0.0255   -0.0023    0.0050    0.0021
x    -0.0895    0.0058   -0.0049    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2195    6.1481   -2.0862   -0.4751   19.5140   -0.9990    0.4779   -0.0477   -0.1244
y    -2.6460   -0.0276   -0.0609    0.0847   -0.0532   -2.2243   -0.0255   -0.0023    0.0050    0.0021
y    -0.0895    0.0058   -0.0049    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3246  188.9000 -170.1574  154.0747 -140.5299  126.8371 -111.4627   95.1108  -79.3045
z    64.9237  -52.1244   41.0209  -31.9486   25.0714  -20.0005   15.9685  -12.3702    9.0934   -6.3659
z     4.3637   -2.9965    2.0115   -1.2201    0.5905   -0.1596   -0.0898    0.2453   -0.3845    0.5109
z    -0.5763    0.5534   -0.4733    0.3957   -0.3538    0.3356   -0.3104    0.2655   -0.2128    0.1706
z    -0.1440    0.1248   -0.1046    0.0831   -0.0654    0.0546   -0.0485    0.0427   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0002   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.053   0.000   0.303   0.000   0.029  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.628   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.024   0.078   0.000  -0.132   0.000  -0.034  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.132   0.000   0.415   0.000   0.077   0.587  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.628   0.000   0.000  -0.190   0.000   0.376   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.029   0.000   0.027  -0.034   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.587   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.175   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.036   0.000   0.262   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.030   8.933
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.647
  9        0.864   1.784   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.634
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.784   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.868  89.429   8.030 142.327
 


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


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


    CHARGE:  VPU time   90.36: CPU time   45.50
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  362.54: CPU time  181.62
    STRESS:  VPU time 1090.75: CPU time  547.93
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force = 0.6627308E-04[-0.578E-05, 0.138E-03]  d Energy = 0.5116539E-04 0.151E-04
 d Force =-0.1415214E+00[-0.141E+00,-0.142E+00]  d Ewald  =-0.6257765E+01 0.612E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726731 eV

  energy  without entropy=     -471.726731  energy(sigma->0) =     -471.726731
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40821.26  40779.49 -47518.98    -36.18      0.00      0.00
  Hartree  40246.66  40230.45 -39504.63    -14.04      0.00      0.00
  E(xc)     -779.42   -779.71   -807.35     -0.25      0.00      0.00
  Local   -83352.01 -83302.99  84338.55     42.45      0.00      0.00
  n-local   -216.85   -215.73   -203.54      0.70      0.00      0.00
  augment     20.06     22.04     17.81      1.72      0.00      0.00
  Kinetic   3162.47   3176.17   3584.05      3.51      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.16     -0.09     -0.16      0.06      0.00      0.00
  in kB       -0.10     -0.05     -0.09      0.04      0.00      0.00
  external pressure =       -0.08 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345771305  0.000381354  0.000000000     0.080997950  0.046760920  0.000000000
    -6.172562032 10.691938246  0.000000000    -0.000002889  0.093526744  0.000000000
     0.000000000  0.000000000 19.984926405     0.000000000  0.000000000  0.050037712

  length of vectors
    12.345771311 12.345771158 19.984926405     0.093526743  0.093526744  0.050037712


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.387E-05 -.492E-04 -.951E+03   0.420E-05 -.275E-04 0.960E+03   -.296E-20 0.843E-21 -.867E+01   0.717E-08 0.208E-09 0.347E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   0.176E-03 -.102E-03 -.925E-04
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   -.176E-03 0.102E-03 -.925E-04
   -.209E+01 0.120E+01 0.139E+02   0.209E+01 -.121E+01 -.139E+02   0.114E-02 -.658E-03 -.269E-01   0.527E-02 -.305E-02 0.123E-01
   0.606E+01 0.686E+01 0.166E+02   -.606E+01 -.688E+01 -.166E+02   0.437E-02 0.184E-01 -.354E-01   0.119E-01 -.436E-02 0.955E-02
   0.111E+02 0.504E+01 0.164E+02   -.111E+02 -.504E+01 -.164E+02   0.204E-01 0.693E-02 -.527E-01   0.206E-02 0.266E-02 -.397E-02
   0.462E+01 -.866E+00 0.152E+02   -.464E+01 0.875E+00 -.152E+02   0.181E-01 -.104E-01 -.126E-01   0.531E-02 -.201E-02 -.105E-01
   -.307E+01 -.247E+01 0.137E+02   0.306E+01 0.248E+01 -.137E+02   0.518E-03 0.655E-03 -.574E-02   0.193E-02 -.520E-02 -.428E-02
   0.609E+00 0.389E+01 0.137E+02   -.612E+00 -.389E+01 -.137E+02   -.308E-03 -.776E-03 -.574E-02   0.547E-02 0.923E-03 -.428E-02
   0.240E+01 0.187E+02 0.224E+02   -.241E+01 -.188E+02 -.224E+02   -.282E-02 0.105E+00 -.513E-01   0.366E-02 0.575E-02 0.287E-02
   0.225E+02 0.213E+02 0.407E+02   -.226E+02 -.215E+02 -.406E+02   0.740E-01 0.262E+00 -.610E-01   -.299E-02 0.531E-02 0.551E-02
   0.265E+02 -.341E+01 0.260E+02   -.268E+02 0.352E+01 -.260E+02   0.266E+00 -.107E+00 -.416E-01   0.496E-02 -.146E-02 0.337E-02
   0.901E+01 -.520E+01 0.156E+02   -.905E+01 0.523E+01 -.156E+02   0.449E-01 -.259E-01 -.136E-01   0.467E-02 -.270E-02 -.328E-02
   0.306E+01 -.357E+01 0.152E+02   -.308E+01 0.358E+01 -.152E+02   0.181E-01 -.105E-01 -.126E-01   0.439E-02 -.360E-02 -.105E-01
   -.589E+01 0.135E+02 0.178E+02   0.589E+01 -.136E+02 -.177E+02   -.329E-02 0.714E-01 -.385E-01   0.214E-02 -.102E-02 -.388E-02
   -.118E+02 0.359E+02 0.466E+02   0.118E+02 -.365E+02 -.469E+02   -.311E-01 0.604E+00 0.296E+00   0.929E-03 -.196E-02 -.402E-03
   0.234E+02 -.135E+02 0.910E+02   -.241E+02 0.139E+02 -.930E+02   0.630E+00 -.364E+00 0.201E+01   0.370E-02 -.214E-02 -.835E-02
   0.162E+02 -.212E+02 0.260E+02   -.164E+02 0.214E+02 -.260E+02   0.226E+00 -.177E+00 -.416E-01   0.374E-02 -.358E-02 0.337E-02
   0.119E+01 -.121E+02 0.164E+02   -.119E+01 0.122E+02 -.164E+02   0.421E-02 -.212E-01 -.527E-01   -.127E-02 -.311E-02 -.397E-02
   -.411E+01 0.191E+01 0.139E+02   0.411E+01 -.191E+01 -.138E+02   0.435E-03 0.101E-01 -.401E-01   0.160E-02 -.831E-03 -.893E-02
   -.191E+02 0.110E+02 0.229E+02   0.191E+02 -.110E+02 -.229E+02   -.512E-01 0.296E-01 -.338E-01   0.108E-02 -.621E-03 0.577E-02
   -.370E+02 -.774E+01 0.466E+02   0.375E+02 0.802E+01 -.469E+02   -.538E+00 -.275E+00 0.296E+00   0.217E-02 0.176E-03 -.399E-03
   -.713E+01 -.302E+02 0.407E+02   0.732E+01 0.303E+02 -.406E+02   -.190E+00 -.195E+00 -.610E-01   -.609E-02 -.659E-04 0.551E-02
   -.291E+01 -.868E+01 0.166E+02   0.292E+01 0.869E+01 -.166E+02   -.137E-01 -.130E-01 -.354E-01   0.971E-02 -.810E-02 0.955E-02
   0.133E+01 -.769E+00 0.132E+02   -.134E+01 0.771E+00 -.132E+02   0.273E-02 -.157E-02 -.226E-01   0.661E-02 -.381E-02 0.450E-02
   -.370E+01 0.261E+01 0.139E+02   0.371E+01 -.260E+01 -.138E+02   -.849E-02 -.540E-02 -.401E-01   0.152E-02 -.969E-03 -.893E-02
   -.146E+02 -.165E+01 0.178E+02   0.147E+02 0.169E+01 -.177E+02   -.634E-01 -.328E-01 -.385E-01   0.195E-02 -.135E-02 -.387E-02
   -.150E+02 -.114E+02 0.224E+02   0.151E+02 0.115E+02 -.224E+02   -.923E-01 -.500E-01 -.513E-01   -.314E-02 -.605E-02 0.287E-02
   0.291E+01 0.868E+01 0.166E+02   -.292E+01 -.869E+01 -.166E+02   0.137E-01 0.130E-01 -.354E-01   -.971E-02 0.810E-02 0.955E-02
   0.150E+02 0.114E+02 0.224E+02   -.151E+02 -.115E+02 -.224E+02   0.923E-01 0.500E-01 -.513E-01   0.314E-02 0.605E-02 0.287E-02
   0.146E+02 0.165E+01 0.178E+02   -.147E+02 -.169E+01 -.177E+02   0.634E-01 0.328E-01 -.385E-01   -.195E-02 0.135E-02 -.387E-02
   0.370E+01 -.261E+01 0.139E+02   -.371E+01 0.260E+01 -.138E+02   0.849E-02 0.540E-02 -.401E-01   -.152E-02 0.969E-03 -.893E-02
   -.133E+01 0.769E+00 0.132E+02   0.134E+01 -.771E+00 -.132E+02   -.273E-02 0.157E-02 -.226E-01   -.661E-02 0.381E-02 0.450E-02
   -.119E+01 0.121E+02 0.164E+02   0.119E+01 -.122E+02 -.164E+02   -.421E-02 0.212E-01 -.527E-01   0.127E-02 0.311E-02 -.397E-02
   0.713E+01 0.302E+02 0.407E+02   -.732E+01 -.303E+02 -.406E+02   0.190E+00 0.195E+00 -.610E-01   0.609E-02 0.658E-04 0.551E-02
   0.370E+02 0.774E+01 0.466E+02   -.375E+02 -.802E+01 -.469E+02   0.538E+00 0.275E+00 0.296E+00   -.217E-02 -.176E-03 -.399E-03
   0.191E+02 -.110E+02 0.229E+02   -.191E+02 0.110E+02 -.229E+02   0.512E-01 -.296E-01 -.338E-01   -.108E-02 0.621E-03 0.577E-02
   0.411E+01 -.190E+01 0.139E+02   -.411E+01 0.191E+01 -.138E+02   -.435E-03 -.101E-01 -.401E-01   -.160E-02 0.831E-03 -.893E-02
   -.306E+01 0.357E+01 0.152E+02   0.308E+01 -.358E+01 -.152E+02   -.181E-01 0.105E-01 -.126E-01   -.439E-02 0.360E-02 -.105E-01
   -.162E+02 0.212E+02 0.260E+02   0.164E+02 -.214E+02 -.260E+02   -.226E+00 0.177E+00 -.416E-01   -.374E-02 0.358E-02 0.337E-02
   -.234E+02 0.135E+02 0.910E+02   0.241E+02 -.139E+02 -.930E+02   -.630E+00 0.364E+00 0.201E+01   -.370E-02 0.214E-02 -.835E-02
   0.118E+02 -.359E+02 0.466E+02   -.118E+02 0.365E+02 -.469E+02   0.311E-01 -.604E+00 0.296E+00   -.929E-03 0.196E-02 -.402E-03
   0.589E+01 -.135E+02 0.178E+02   -.589E+01 0.136E+02 -.177E+02   0.329E-02 -.714E-01 -.385E-01   -.214E-02 0.102E-02 -.388E-02
   -.609E+00 -.389E+01 0.137E+02   0.612E+00 0.389E+01 -.137E+02   0.308E-03 0.776E-03 -.574E-02   -.547E-02 -.923E-03 -.428E-02
   -.901E+01 0.520E+01 0.156E+02   0.905E+01 -.523E+01 -.156E+02   -.449E-01 0.259E-01 -.136E-01   -.467E-02 0.270E-02 -.328E-02
   -.265E+02 0.341E+01 0.260E+02   0.268E+02 -.352E+01 -.260E+02   -.266E+00 0.107E+00 -.416E-01   -.496E-02 0.146E-02 0.337E-02
   -.225E+02 -.213E+02 0.407E+02   0.226E+02 0.215E+02 -.406E+02   -.740E-01 -.262E+00 -.610E-01   0.299E-02 -.531E-02 0.551E-02
   -.240E+01 -.187E+02 0.224E+02   0.241E+01 0.188E+02 -.224E+02   0.282E-02 -.105E+00 -.513E-01   -.366E-02 -.575E-02 0.287E-02
   0.209E+01 -.120E+01 0.139E+02   -.209E+01 0.121E+01 -.139E+02   -.114E-02 0.658E-03 -.269E-01   -.527E-02 0.305E-02 0.123E-01
   0.307E+01 0.247E+01 0.137E+02   -.306E+01 -.248E+01 -.137E+02   -.518E-03 -.655E-03 -.574E-02   -.193E-02 0.520E-02 -.428E-02
   -.462E+01 0.866E+00 0.152E+02   0.464E+01 -.875E+00 -.152E+02   -.181E-01 0.104E-01 -.126E-01   -.531E-02 0.201E-02 -.105E-01
   -.111E+02 -.504E+01 0.164E+02   0.111E+02 0.504E+01 -.164E+02   -.204E-01 -.693E-02 -.527E-01   -.206E-02 -.266E-02 -.397E-02
   -.606E+01 -.686E+01 0.166E+02   0.606E+01 0.688E+01 -.166E+02   -.437E-02 -.184E-01 -.354E-01   -.119E-01 0.436E-02 0.955E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.298E-03 0.101E+02   -.231E-12 0.355E-13 -.117E-12   0.132E-15 -.121E-15 -.101E+02   0.107E-07 -.571E-08 -.174E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85205      6.05893     12.33856         0.000000      0.000000      0.005179
      1.07788      6.50590     13.60068        -0.000261      0.000151     -0.004735
      2.62622      5.61197     13.60068         0.000261     -0.000151     -0.004735
      0.00002     -0.00001      9.97858         0.008234     -0.004754     -0.006467
     -1.23500      2.13695      9.97925         0.012355     -0.003569     -0.006578
     -2.47017      4.27653      9.98594        -0.001191      0.002479      0.001359
     -3.70410      6.41535      9.98356         0.005836     -0.003437      0.006151
     -4.93791      8.55362      9.98084        -0.000746     -0.002979      0.003189
      2.46917     -0.00008      9.98084         0.002207      0.002136      0.003189
      1.23392      2.13656      9.98400        -0.002760      0.008425     -0.006732
     -0.00264      4.27084      9.99698        -0.011241      0.011495      0.000811
     -1.23862      6.41584     10.00904         0.001063      0.002176     -0.003862
     -2.46940      8.55392      9.98691         0.003842     -0.002218      0.001863
      4.93786      0.00055      9.98356         0.005895     -0.003336      0.006151
      3.70432      2.13663      9.99160        -0.002144     -0.000449      0.004699
      2.47003      4.26841     10.03086        -0.007209      0.001755     -0.000357
      1.22898      6.41866     10.04149        -0.003533      0.002040      0.001349
     -0.00238      8.55708     10.00904        -0.001353     -0.002009     -0.003862
      7.40710      0.00134      9.98594        -0.002742     -0.000208      0.001359
      6.17275      2.13861      9.98328         0.001182      0.001047      0.003461
      4.93921      4.27656     10.00043        -0.001626      0.000939      0.001452
      3.71168      6.41901     10.03086        -0.005124      0.005365     -0.000357
      2.47324      8.55919      9.99698        -0.015575      0.003988      0.000811
      9.87762      0.00145      9.97925         0.009268     -0.008915     -0.006578
      8.64194      2.13879      9.97910         0.005691     -0.003286     -0.000332
      7.40750      4.27726      9.98328        -0.000315     -0.001547      0.003461
      6.17500      6.41597      9.99160        -0.000683      0.002081      0.004699
      4.93986      8.55543      9.98400        -0.008676     -0.001822     -0.006732
     -0.00096      1.42447      9.97925        -0.009268      0.008915     -0.006578
     -1.23576      3.56243      9.98400         0.008676      0.001822     -0.006732
     -2.47090      5.70189      9.99160         0.000683     -0.002081      0.004699
     -3.70340      7.84060      9.98328         0.000315      0.001547      0.003461
     -4.93784      9.97907      9.97910        -0.005691      0.003286     -0.000332
      2.46956      1.42458      9.98594         0.002742      0.000208      0.001359
      1.23086      3.55867      9.99698         0.015575     -0.003988      0.000811
     -0.00758      5.69886     10.03086         0.005124     -0.005365     -0.000357
     -1.23511      7.84130     10.00043         0.001626     -0.000939      0.001452
     -2.46865      9.97925      9.98328        -0.001182     -0.001047      0.003461
      4.93880      1.42537      9.98356        -0.005895      0.003336      0.006151
      3.70648      3.56079     10.00904         0.001353      0.002009     -0.003862
      2.47512      5.69920     10.04149         0.003533     -0.002040      0.001349
      1.23407      7.84945     10.03086         0.007209     -0.001755     -0.000357
     -0.00023      9.98123      9.99160         0.002144      0.000449      0.004699
      7.40750      1.42600      9.98084        -0.002207     -0.002136      0.003189
      6.17349      3.56394      9.98691        -0.003842      0.002218      0.001863
      4.94272      5.70202     10.00904        -0.001063     -0.002176     -0.003862
      3.70674      7.84702      9.99698         0.011241     -0.011495      0.000811
      2.47018      9.98130      9.98400         0.002760     -0.008425     -0.006732
      9.87664      1.42593      9.97858        -0.008234      0.004754     -0.006467
      8.64201      3.56424      9.98084         0.000746      0.002979      0.003189
      7.40820      5.70251      9.98356        -0.005836      0.003437      0.006151
      6.17427      7.84133      9.98594         0.001191     -0.002479      0.001359
      4.93910      9.98091      9.97925        -0.012355      0.003569     -0.006578
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000298      0.011965


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000051  1 .order   -0.000056   -0.000131    0.000020
  (g-gl).g = 0.205E-03      g.g   = 0.185E-03  gl.gl    = 0.276E-03
 g(Force)  = 0.146E-03   g(Stress)= 0.392E-04 ortho     =-0.276E-04
 gamma     =   0.74202
 trial     =   0.79498
 opt step  =   0.68998  (harmonic =   0.68998) maximal distance =0.00063486
 next E    =  -471.726737   (d E  =  -0.00006)


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


    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  150.61: CPU time   75.37
     LOOP+:  VPU time 4578.85: CPU time 2338.38


----------------------------------------- Iteration   20(   1)  ---------------------------------------


    POTLOK:  VPU time    7.80: CPU time    7.70
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1406.72: CPU time  718.75
 BZINTS: Fermi energy: -3.205865;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.14: CPU time   45.46
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1505.11: CPU time  772.34

 eigenvalue-minimisations  :  5664
 total energy-change (2. order) :-0.4717268E+03  (-0.6032321E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9585831 magnetization   -0.0000066

 Broyden mixing:
  rms(total) = 0.56616E-03    rms(broyden)= 0.56588E-03
  rms(prec ) = 0.62962E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34080.96120426
  -1/2 Hartree   DENC   =    -40971.59260957
  -V(xc)+E(xc)   XCENC  =       726.57121380
  PAW double counting   =      4093.85038985    -4132.18092426
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.77588259
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72675491 eV

  energy without entropy =     -471.72675491  energy(sigma->0) =     -471.72675491


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




----------------------------------------- Iteration   20(   2)  ---------------------------------------


    POTLOK:  VPU time    7.70: CPU time    7.70
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1184.20: CPU time  605.72
 BZINTS: Fermi energy: -3.206135;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1192.24: CPU time  613.74

 eigenvalue-minimisations  :  4432
 total energy-change (2. order) : 0.7924100E-05  (-0.5376762E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9585831 magnetization   -0.0000066

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34080.96120426
  -1/2 Hartree   DENC   =    -40971.57299745
  -V(xc)+E(xc)   XCENC  =       726.57044770
  PAW double counting   =      4093.81310457    -4132.14312988
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.79522978
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72674698 eV

  energy without entropy =     -471.72674698  energy(sigma->0) =     -471.72674698


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2069       2 -39.5408       3 -39.5409       4 -58.3141       5 -58.3185
       6 -58.3211       7 -58.3158       8 -58.3158       9 -58.3158      10 -58.3221
      11 -58.3883      12 -58.3526      13 -58.3242      14 -58.3158      15 -58.3257
      16 -58.5417      17 -58.7277      18 -58.3526      19 -58.3211      20 -58.3210
      21 -58.3592      22 -58.5417      23 -58.3883      24 -58.3185      25 -58.3237
      26 -58.3210      27 -58.3258      28 -58.3221      29 -58.3184      30 -58.3220
      31 -58.3256      32 -58.3209      33 -58.3236      34 -58.3210      35 -58.3882
      36 -58.5416      37 -58.3591      38 -58.3209      39 -58.3157      40 -58.3525
      41 -58.7276      42 -58.5417      43 -58.3256      44 -58.3157      45 -58.3241
      46 -58.3525      47 -58.3882      48 -58.3220      49 -58.3140      50 -58.3157
      51 -58.3157      52 -58.3210      53 -58.3184
 
 
 
 E-fermi :  -3.2061     XC(G=0):  -2.3376     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     -22.4262      1.00000
      2     -21.6011      1.00000
      3     -21.4817      1.00000
      4     -21.4726      1.00000
      5     -21.4418      1.00000
      6     -21.4412      1.00000
      7     -21.4313      1.00000
      8     -19.7063      1.00000
      9     -19.6528      1.00000
     10     -19.6298      1.00000
     11     -19.6191      1.00000
     12     -19.6137      1.00000
     13     -19.6125      1.00000
     14     -18.7895      1.00000
     15     -18.7548      1.00000
     16     -18.7354      1.00000
     17     -18.7257      1.00000
     18     -18.7190      1.00000
     19     -18.7134      1.00000
     20     -16.6342      1.00000
     21     -16.6092      1.00000
     22     -16.5851      1.00000
     23     -16.5811      1.00000
     24     -16.5552      1.00000
     25     -16.5533      1.00000
     26     -15.6141      1.00000
     27     -15.6022      1.00000
     28     -15.5987      1.00000
     29     -15.5656      1.00000
     30     -15.5635      1.00000
     31     -15.5622      1.00000
     32     -14.2598      1.00000
     33     -14.2505      1.00000
     34     -14.2404      1.00000
     35     -14.2360      1.00000
     36     -14.2229      1.00000
     37     -14.2203      1.00000
     38     -11.9049      1.00000
     39     -11.8789      1.00000
     40     -11.8680      1.00000
     41     -11.8652      1.00000
     42     -11.8453      1.00000
     43     -11.8452      1.00000
     44     -11.7709      1.00000
     45     -11.7685      1.00000
     46     -11.7363      1.00000
     47     -11.7296      1.00000
     48     -11.7254      1.00000
     49     -11.7230      1.00000
     50     -10.6725      1.00000
     51     -10.3882      1.00000
     52     -10.3840      1.00000
     53     -10.3769      1.00000
     54     -10.3686      1.00000
     55     -10.3562      1.00000
     56     -10.3539      1.00000
     57      -9.9008      1.00000
     58      -9.4486      1.00000
     59      -9.4052      1.00000
     60      -9.3632      1.00000
     61      -9.3625      1.00000
     62      -9.3550      1.00000
     63      -9.1420      1.00000
     64      -9.1211      1.00000
     65      -9.1210      1.00000
     66      -9.0852      1.00000
     67      -9.0725      1.00000
     68      -9.0718      1.00000
     69      -9.0717      1.00000
     70      -9.0647      1.00000
     71      -9.0640      1.00000
     72      -9.0389      1.00000
     73      -9.0295      1.00000
     74      -9.0260      1.00000
     75      -8.1372      1.00000
     76      -7.7318      1.00000
     77      -7.4691      1.00000
     78      -7.4668      1.00000
     79      -7.4543      1.00000
     80      -7.4352      1.00000
     81      -7.4245      1.00000
     82      -7.4077      1.00000
     83      -7.3114      1.00000
     84      -7.2704      1.00000
     85      -7.2573      1.00000
     86      -7.2487      1.00000
     87      -7.1568      1.00000
     88      -7.0458      1.00000
     89      -6.4468      1.00000
     90      -6.4150      1.00000
     91      -6.3996      1.00000
     92      -6.3642      1.00000
     93      -6.3532      1.00000
     94      -6.3403      1.00000
     95      -5.9591      1.00000
     96      -5.9583      1.00000
     97      -4.7957      1.00000
     98      -4.5397      1.00000
     99      -4.4815      1.00000
    100      -4.4706      1.00000
    101      -4.3831      1.00000
    102      -4.3822      1.00000
    103      -4.2657      1.00000
    104      -4.1844      1.00000
    105      -3.7341      1.00000
    106      -3.4703      1.00000
    107      -1.8600      0.00000
    108      -1.6735      0.00000
    109      -1.6250      0.00000
    110      -1.5925      0.00000
    111      -1.5767      0.00000
    112      -1.5760      0.00000
    113      -0.4284      0.00000
    114       0.1416      0.00000
    115       0.1919      0.00000
    116       0.2547      0.00000
    117       0.2667      0.00000
    118       0.2701      0.00000
    119       0.4745      0.00000
    120       0.5523      0.00000
    121       1.2530      0.00000
    122       1.2888      0.00000
    123       1.5397      0.00000
    124       1.7764      0.00000
    125       1.7790      0.00000
    126       1.7799      0.00000
    127       1.7839      0.00000
    128       1.8316      0.00000
    129       1.9575      0.00000
    130       1.9708      0.00000
    131       1.9738      0.00000
    132       1.9880      0.00000
    133       1.9951      0.00000
    134       2.0821      0.00000
    135       2.2590      0.00000
    136       2.3389      0.00000
    137       2.6276      0.00000
    138       2.6302      0.00000
    139       2.6583      0.00000
    140       2.7284      0.00000
    141       2.9480      0.00000
    142       3.0364      0.00000
    143       3.0516      0.00000
    144       3.0769      0.00000
    145       3.0797      0.00000
    146       3.0812      0.00000
    147       3.1059      0.00000
    148       3.2802      0.00000
    149       3.4523      0.00000
    150       3.5211      0.00000
    151       3.8248      0.00000
    152       3.9663      0.00000
    153       3.9792      0.00000
    154       3.9826      0.00000
    155       3.9871      0.00000
    156       4.0062      0.00000
    157       4.1947      0.00000
    158       4.2655      0.00000
    159       4.2785      0.00000
    160       4.2866      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3895      1.00000
      2     -21.8302      1.00000
      3     -21.6387      1.00000
      4     -21.6110      1.00000
      5     -21.2746      1.00000
      6     -21.2360      1.00000
      7     -21.0576      1.00000
      8     -20.1676      1.00000
      9     -20.1301      1.00000
     10     -19.6088      1.00000
     11     -19.5979      1.00000
     12     -19.4175      1.00000
     13     -19.0895      1.00000
     14     -19.0604      1.00000
     15     -19.0494      1.00000
     16     -19.0421      1.00000
     17     -18.3610      1.00000
     18     -18.3528      1.00000
     19     -18.0193      1.00000
     20     -17.0687      1.00000
     21     -17.0305      1.00000
     22     -16.9443      1.00000
     23     -16.9410      1.00000
     24     -16.4681      1.00000
     25     -16.4640      1.00000
     26     -15.6141      1.00000
     27     -15.6078      1.00000
     28     -15.2526      1.00000
     29     -15.2437      1.00000
     30     -15.1847      1.00000
     31     -15.0984      1.00000
     32     -15.0718      1.00000
     33     -14.6989      1.00000
     34     -14.6969      1.00000
     35     -13.7268      1.00000
     36     -13.7242      1.00000
     37     -13.2360      1.00000
     38     -12.6141      1.00000
     39     -12.5846      1.00000
     40     -12.4545      1.00000
     41     -12.4509      1.00000
     42     -12.1094      1.00000
     43     -12.1049      1.00000
     44     -11.7174      1.00000
     45     -11.6869      1.00000
     46     -11.2352      1.00000
     47     -11.2266      1.00000
     48     -11.0179      1.00000
     49     -11.0100      1.00000
     50     -10.9267      1.00000
     51     -10.9057      1.00000
     52     -10.6268      1.00000
     53     -10.1552      1.00000
     54     -10.1514      1.00000
     55     -10.0922      1.00000
     56      -9.9965      1.00000
     57      -9.7029      1.00000
     58      -9.6951      1.00000
     59      -9.6563      1.00000
     60      -9.5916      1.00000
     61      -9.5771      1.00000
     62      -9.5589      1.00000
     63      -9.3071      1.00000
     64      -9.3036      1.00000
     65      -9.2739      1.00000
     66      -9.2367      1.00000
     67      -9.1365      1.00000
     68      -9.1155      1.00000
     69      -9.1118      1.00000
     70      -8.9402      1.00000
     71      -8.8726      1.00000
     72      -8.6049      1.00000
     73      -8.5912      1.00000
     74      -8.2394      1.00000
     75      -8.1009      1.00000
     76      -7.9092      1.00000
     77      -7.8641      1.00000
     78      -7.7718      1.00000
     79      -7.7574      1.00000
     80      -7.6958      1.00000
     81      -7.5533      1.00000
     82      -7.3393      1.00000
     83      -7.3234      1.00000
     84      -7.2055      1.00000
     85      -7.1220      1.00000
     86      -7.0325      1.00000
     87      -7.0126      1.00000
     88      -6.7042      1.00000
     89      -6.6789      1.00000
     90      -6.6413      1.00000
     91      -6.5972      1.00000
     92      -6.1166      1.00000
     93      -6.0620      1.00000
     94      -6.0311      1.00000
     95      -6.0116      1.00000
     96      -5.7824      1.00000
     97      -4.9678      1.00000
     98      -4.8309      1.00000
     99      -4.7464      1.00000
    100      -4.6788      1.00000
    101      -4.4618      1.00000
    102      -4.1994      1.00000
    103      -4.1707      1.00000
    104      -4.1273      1.00000
    105      -3.7248      1.00000
    106      -3.4802      1.00000
    107      -1.8698      0.00000
    108      -1.8107      0.00000
    109      -1.5241      0.00000
    110      -1.3790      0.00000
    111      -1.3226      0.00000
    112      -1.2891      0.00000
    113      -0.7202      0.00000
    114      -0.3767      0.00000
    115      -0.2518      0.00000
    116       0.0347      0.00000
    117       0.5575      0.00000
    118       0.6973      0.00000
    119       0.7457      0.00000
    120       1.0464      0.00000
    121       1.0988      0.00000
    122       1.1517      0.00000
    123       1.2265      0.00000
    124       1.3831      0.00000
    125       1.5252      0.00000
    126       1.5915      0.00000
    127       1.7182      0.00000
    128       1.8064      0.00000
    129       1.8563      0.00000
    130       1.8818      0.00000
    131       2.0947      0.00000
    132       2.1951      0.00000
    133       2.2428      0.00000
    134       2.3158      0.00000
    135       2.5222      0.00000
    136       2.6035      0.00000
    137       2.6279      0.00000
    138       2.7849      0.00000
    139       2.7996      0.00000
    140       2.8265      0.00000
    141       2.8451      0.00000
    142       2.9074      0.00000
    143       2.9367      0.00000
    144       3.0969      0.00000
    145       3.1662      0.00000
    146       3.3238      0.00000
    147       3.3678      0.00000
    148       3.4122      0.00000
    149       3.4785      0.00000
    150       3.6190      0.00000
    151       3.6467      0.00000
    152       3.6760      0.00000
    153       3.7206      0.00000
    154       3.9269      0.00000
    155       3.9662      0.00000
    156       4.0231      0.00000
    157       4.0701      0.00000
    158       4.2525      0.00000
    159       4.2633      0.00000
    160       4.2825      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2832      1.00000
      2     -22.0784      1.00000
      3     -21.7170      1.00000
      4     -21.6855      1.00000
      5     -20.9793      1.00000
      6     -20.9395      1.00000
      7     -20.6117      1.00000
      8     -20.5758      1.00000
      9     -20.5696      1.00000
     10     -20.0331      1.00000
     11     -19.5035      1.00000
     12     -19.4919      1.00000
     13     -19.3075      1.00000
     14     -19.3023      1.00000
     15     -18.4475      1.00000
     16     -18.4114      1.00000
     17     -17.9225      1.00000
     18     -17.9135      1.00000
     19     -17.7614      1.00000
     20     -17.7262      1.00000
     21     -17.4362      1.00000
     22     -17.4292      1.00000
     23     -17.3411      1.00000
     24     -16.4632      1.00000
     25     -16.4623      1.00000
     26     -15.9674      1.00000
     27     -15.4145      1.00000
     28     -15.4093      1.00000
     29     -15.0969      1.00000
     30     -15.0935      1.00000
     31     -14.8551      1.00000
     32     -14.8475      1.00000
     33     -14.2903      1.00000
     34     -14.2581      1.00000
     35     -13.4366      1.00000
     36     -13.4047      1.00000
     37     -13.1777      1.00000
     38     -13.1743      1.00000
     39     -12.9821      1.00000
     40     -12.9773      1.00000
     41     -12.6132      1.00000
     42     -12.6101      1.00000
     43     -12.1979      1.00000
     44     -11.5766      1.00000
     45     -11.5433      1.00000
     46     -11.3109      1.00000
     47     -11.2884      1.00000
     48     -11.1421      1.00000
     49     -10.6754      1.00000
     50     -10.6610      1.00000
     51     -10.5490      1.00000
     52     -10.3232      1.00000
     53     -10.3180      1.00000
     54     -10.1708      1.00000
     55     -10.1154      1.00000
     56     -10.1127      1.00000
     57      -9.7981      1.00000
     58      -9.7643      1.00000
     59      -9.7522      1.00000
     60      -9.7005      1.00000
     61      -9.6977      1.00000
     62      -9.6616      1.00000
     63      -9.3545      1.00000
     64      -9.3520      1.00000
     65      -9.3160      1.00000
     66      -9.0406      1.00000
     67      -8.9625      1.00000
     68      -8.9493      1.00000
     69      -8.7987      1.00000
     70      -8.5944      1.00000
     71      -8.5589      1.00000
     72      -8.3975      1.00000
     73      -8.3649      1.00000
     74      -8.3245      1.00000
     75      -8.3068      1.00000
     76      -8.2594      1.00000
     77      -8.2574      1.00000
     78      -8.2369      1.00000
     79      -7.9088      1.00000
     80      -7.6516      1.00000
     81      -7.5423      1.00000
     82      -7.3864      1.00000
     83      -7.3500      1.00000
     84      -7.2317      1.00000
     85      -7.0984      1.00000
     86      -7.0384      1.00000
     87      -6.9349      1.00000
     88      -6.8465      1.00000
     89      -6.6129      1.00000
     90      -6.5595      1.00000
     91      -6.2701      1.00000
     92      -6.0420      1.00000
     93      -5.9512      1.00000
     94      -5.6618      1.00000
     95      -5.6229      1.00000
     96      -5.4598      1.00000
     97      -5.3186      1.00000
     98      -5.2785      1.00000
     99      -5.2137      1.00000
    100      -5.1948      1.00000
    101      -4.4989      1.00000
    102      -4.2029      1.00000
    103      -4.0554      1.00000
    104      -3.9892      1.00000
    105      -3.6907      1.00000
    106      -3.4903      1.00000
    107      -1.9460      0.00000
    108      -1.8984      0.00000
    109      -1.3372      0.00000
    110      -1.0860      0.00000
    111      -1.0599      0.00000
    112      -0.8014      0.00000
    113      -0.6790      0.00000
    114      -0.6478      0.00000
    115      -0.6084      0.00000
    116      -0.1098      0.00000
    117       0.2142      0.00000
    118       0.3274      0.00000
    119       0.6974      0.00000
    120       0.8878      0.00000
    121       1.1247      0.00000
    122       1.1986      0.00000
    123       1.3300      0.00000
    124       1.4245      0.00000
    125       1.5556      0.00000
    126       1.5771      0.00000
    127       1.6907      0.00000
    128       1.8112      0.00000
    129       1.8852      0.00000
    130       2.0594      0.00000
    131       2.1128      0.00000
    132       2.3134      0.00000
    133       2.3533      0.00000
    134       2.4079      0.00000
    135       2.5570      0.00000
    136       2.6354      0.00000
    137       2.7364      0.00000
    138       2.7421      0.00000
    139       2.8121      0.00000
    140       2.8926      0.00000
    141       3.0552      0.00000
    142       3.0673      0.00000
    143       3.1765      0.00000
    144       3.2723      0.00000
    145       3.3653      0.00000
    146       3.4228      0.00000
    147       3.4447      0.00000
    148       3.5712      0.00000
    149       3.5888      0.00000
    150       3.6140      0.00000
    151       3.6612      0.00000
    152       3.6806      0.00000
    153       3.7808      0.00000
    154       3.7942      0.00000
    155       3.8099      0.00000
    156       3.8937      0.00000
    157       3.9339      0.00000
    158       3.9980      0.00000
    159       4.2257      0.00000
    160       4.2290      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3173      1.00000
      2     -21.9624      1.00000
      3     -21.8949      1.00000
      4     -21.3811      1.00000
      5     -21.3524      1.00000
      6     -20.8393      1.00000
      7     -20.7756      1.00000
      8     -20.6244      1.00000
      9     -20.0779      1.00000
     10     -20.0725      1.00000
     11     -19.7171      1.00000
     12     -19.6930      1.00000
     13     -18.9967      1.00000
     14     -18.9910      1.00000
     15     -18.6412      1.00000
     16     -18.6255      1.00000
     17     -18.4622      1.00000
     18     -17.6746      1.00000
     19     -17.6252      1.00000
     20     -17.6222      1.00000
     21     -17.5811      1.00000
     22     -17.1266      1.00000
     23     -17.1057      1.00000
     24     -16.9632      1.00000
     25     -16.0026      1.00000
     26     -15.9295      1.00000
     27     -15.5860      1.00000
     28     -15.5859      1.00000
     29     -15.2868      1.00000
     30     -14.8644      1.00000
     31     -14.8376      1.00000
     32     -14.5785      1.00000
     33     -14.5378      1.00000
     34     -14.1690      1.00000
     35     -14.1557      1.00000
     36     -13.1488      1.00000
     37     -13.1000      1.00000
     38     -13.0303      1.00000
     39     -13.0198      1.00000
     40     -12.7090      1.00000
     41     -12.7052      1.00000
     42     -12.3416      1.00000
     43     -12.3111      1.00000
     44     -11.6360      1.00000
     45     -11.6229      1.00000
     46     -11.5723      1.00000
     47     -10.9497      1.00000
     48     -10.9169      1.00000
     49     -10.6306      1.00000
     50     -10.6245      1.00000
     51     -10.5455      1.00000
     52     -10.5004      1.00000
     53     -10.4997      1.00000
     54     -10.4404      1.00000
     55     -10.3602      1.00000
     56     -10.0986      1.00000
     57      -9.9041      1.00000
     58      -9.6077      1.00000
     59      -9.5569      1.00000
     60      -9.4532      1.00000
     61      -9.4127      1.00000
     62      -9.4049      1.00000
     63      -9.3775      1.00000
     64      -9.3773      1.00000
     65      -9.2866      1.00000
     66      -9.1687      1.00000
     67      -9.1439      1.00000
     68      -9.1150      1.00000
     69      -8.8648      1.00000
     70      -8.8580      1.00000
     71      -8.8152      1.00000
     72      -8.5974      1.00000
     73      -8.4799      1.00000
     74      -8.1995      1.00000
     75      -8.1637      1.00000
     76      -8.0130      1.00000
     77      -7.9572      1.00000
     78      -7.8508      1.00000
     79      -7.8405      1.00000
     80      -7.7068      1.00000
     81      -7.6965      1.00000
     82      -7.6249      1.00000
     83      -7.4455      1.00000
     84      -7.3053      1.00000
     85      -7.2467      1.00000
     86      -6.9071      1.00000
     87      -6.8930      1.00000
     88      -6.5891      1.00000
     89      -6.5507      1.00000
     90      -6.4073      1.00000
     91      -6.2539      1.00000
     92      -6.2328      1.00000
     93      -6.2055      1.00000
     94      -6.0220      1.00000
     95      -5.5483      1.00000
     96      -5.4875      1.00000
     97      -5.3478      1.00000
     98      -5.2197      1.00000
     99      -4.9798      1.00000
    100      -4.7281      1.00000
    101      -4.6768      1.00000
    102      -4.3831      1.00000
    103      -4.1983      1.00000
    104      -3.8642      1.00000
    105      -3.5464      1.00000
    106      -3.5015      1.00000
    107      -2.2577      0.00000
    108      -1.4542      0.00000
    109      -1.3739      0.00000
    110      -1.2423      0.00000
    111      -1.0980      0.00000
    112      -0.9459      0.00000
    113      -0.8650      0.00000
    114      -0.8047      0.00000
    115      -0.1413      0.00000
    116       0.1075      0.00000
    117       0.2400      0.00000
    118       0.3761      0.00000
    119       0.6556      0.00000
    120       0.8339      0.00000
    121       0.9361      0.00000
    122       1.0657      0.00000
    123       1.2379      0.00000
    124       1.4455      0.00000
    125       1.5659      0.00000
    126       1.7661      0.00000
    127       1.7924      0.00000
    128       1.8692      0.00000
    129       1.9824      0.00000
    130       2.0400      0.00000
    131       2.1856      0.00000
    132       2.1865      0.00000
    133       2.4210      0.00000
    134       2.4398      0.00000
    135       2.5158      0.00000
    136       2.6038      0.00000
    137       2.6351      0.00000
    138       2.7021      0.00000
    139       2.7903      0.00000
    140       2.8482      0.00000
    141       2.9631      0.00000
    142       3.0940      0.00000
    143       3.1951      0.00000
    144       3.2104      0.00000
    145       3.2481      0.00000
    146       3.3315      0.00000
    147       3.3448      0.00000
    148       3.4759      0.00000
    149       3.5128      0.00000
    150       3.6981      0.00000
    151       3.7194      0.00000
    152       3.7280      0.00000
    153       3.8641      0.00000
    154       3.9113      0.00000
    155       3.9586      0.00000
    156       3.9821      0.00000
    157       4.0035      0.00000
    158       4.0356      0.00000
    159       4.0612      0.00000
    160       4.0736      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2093      1.00000
      2     -22.1187      1.00000
      3     -21.9576      1.00000
      4     -21.4048      1.00000
      5     -21.0498      1.00000
      6     -21.0146      1.00000
      7     -20.5005      1.00000
      8     -20.4619      1.00000
      9     -20.2955      1.00000
     10     -20.2764      1.00000
     11     -19.9575      1.00000
     12     -19.8930      1.00000
     13     -18.8824      1.00000
     14     -18.8149      1.00000
     15     -18.3526      1.00000
     16     -18.3070      1.00000
     17     -18.1536      1.00000
     18     -18.1367      1.00000
     19     -17.8269      1.00000
     20     -17.7896      1.00000
     21     -17.2520      1.00000
     22     -17.2426      1.00000
     23     -17.1651      1.00000
     24     -17.1336      1.00000
     25     -16.1105      1.00000
     26     -15.8857      1.00000
     27     -15.8706      1.00000
     28     -15.8351      1.00000
     29     -15.2367      1.00000
     30     -14.5554      1.00000
     31     -14.5279      1.00000
     32     -14.2805      1.00000
     33     -13.9639      1.00000
     34     -13.9569      1.00000
     35     -13.8206      1.00000
     36     -13.8054      1.00000
     37     -13.6150      1.00000
     38     -13.5714      1.00000
     39     -13.3705      1.00000
     40     -12.6350      1.00000
     41     -12.1812      1.00000
     42     -12.1336      1.00000
     43     -12.0722      1.00000
     44     -12.0207      1.00000
     45     -11.6698      1.00000
     46     -11.6566      1.00000
     47     -11.1392      1.00000
     48     -11.1192      1.00000
     49     -10.7950      1.00000
     50     -10.7320      1.00000
     51     -10.5231      1.00000
     52     -10.2084      1.00000
     53     -10.2060      1.00000
     54     -10.1653      1.00000
     55     -10.0180      1.00000
     56     -10.0048      1.00000
     57      -9.9913      1.00000
     58      -9.8019      1.00000
     59      -9.7980      1.00000
     60      -9.7630      1.00000
     61      -9.7585      1.00000
     62      -9.4554      1.00000
     63      -9.4165      1.00000
     64      -9.0794      1.00000
     65      -9.0728      1.00000
     66      -9.0422      1.00000
     67      -8.9554      1.00000
     68      -8.8769      1.00000
     69      -8.7125      1.00000
     70      -8.7003      1.00000
     71      -8.5666      1.00000
     72      -8.5438      1.00000
     73      -8.4991      1.00000
     74      -8.4634      1.00000
     75      -8.4540      1.00000
     76      -8.2590      1.00000
     77      -8.1260      1.00000
     78      -8.0429      1.00000
     79      -7.9164      1.00000
     80      -7.8620      1.00000
     81      -7.6172      1.00000
     82      -7.5485      1.00000
     83      -7.4946      1.00000
     84      -7.2610      1.00000
     85      -6.9952      1.00000
     86      -6.9241      1.00000
     87      -6.8834      1.00000
     88      -6.5331      1.00000
     89      -6.4874      1.00000
     90      -6.4605      1.00000
     91      -6.4109      1.00000
     92      -5.9819      1.00000
     93      -5.8963      1.00000
     94      -5.7843      1.00000
     95      -5.7602      1.00000
     96      -5.4292      1.00000
     97      -5.3278      1.00000
     98      -5.2303      1.00000
     99      -5.2172      1.00000
    100      -5.1894      1.00000
    101      -4.6889      1.00000
    102      -4.4157      1.00000
    103      -4.2046      1.00000
    104      -3.8262      1.00000
    105      -3.5206      1.00000
    106      -3.2750      1.00000
    107      -2.5323      0.00000
    108      -1.4559      0.00000
    109      -1.2691      0.00000
    110      -1.2042      0.00000
    111      -1.1730      0.00000
    112      -0.7204      0.00000
    113      -0.5048      0.00000
    114      -0.4133      0.00000
    115      -0.3407      0.00000
    116      -0.1470      0.00000
    117      -0.0042      0.00000
    118       0.1918      0.00000
    119       0.5591      0.00000
    120       0.6119      0.00000
    121       0.7997      0.00000
    122       0.9089      0.00000
    123       1.1354      0.00000
    124       1.4990      0.00000
    125       1.6396      0.00000
    126       1.8657      0.00000
    127       1.9355      0.00000
    128       2.1141      0.00000
    129       2.1246      0.00000
    130       2.1309      0.00000
    131       2.1783      0.00000
    132       2.2793      0.00000
    133       2.3264      0.00000
    134       2.4601      0.00000
    135       2.5772      0.00000
    136       2.6633      0.00000
    137       2.8607      0.00000
    138       2.8715      0.00000
    139       2.9005      0.00000
    140       3.0346      0.00000
    141       3.0410      0.00000
    142       3.1480      0.00000
    143       3.1684      0.00000
    144       3.2403      0.00000
    145       3.2829      0.00000
    146       3.2888      0.00000
    147       3.3054      0.00000
    148       3.3508      0.00000
    149       3.4323      0.00000
    150       3.4517      0.00000
    151       3.5579      0.00000
    152       3.6269      0.00000
    153       3.6940      0.00000
    154       3.7227      0.00000
    155       3.7822      0.00000
    156       3.8999      0.00000
    157       3.9498      0.00000
    158       4.0139      0.00000
    159       4.1464      0.00000
    160       4.2371      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3171      1.00000
      2     -21.9641      1.00000
      3     -21.8933      1.00000
      4     -21.3846      1.00000
      5     -21.3489      1.00000
      6     -20.8394      1.00000
      7     -20.7742      1.00000
      8     -20.6254      1.00000
      9     -20.0895      1.00000
     10     -20.0614      1.00000
     11     -19.7188      1.00000
     12     -19.6904      1.00000
     13     -19.0096      1.00000
     14     -18.9793      1.00000
     15     -18.6502      1.00000
     16     -18.6175      1.00000
     17     -18.4612      1.00000
     18     -17.6603      1.00000
     19     -17.6472      1.00000
     20     -17.6113      1.00000
     21     -17.5791      1.00000
     22     -17.1372      1.00000
     23     -17.0978      1.00000
     24     -16.9662      1.00000
     25     -16.0082      1.00000
     26     -15.9235      1.00000
     27     -15.5990      1.00000
     28     -15.5760      1.00000
     29     -15.2803      1.00000
     30     -14.8768      1.00000
     31     -14.8301      1.00000
     32     -14.5750      1.00000
     33     -14.5377      1.00000
     34     -14.1639      1.00000
     35     -14.1602      1.00000
     36     -13.1620      1.00000
     37     -13.0964      1.00000
     38     -13.0239      1.00000
     39     -13.0191      1.00000
     40     -12.7181      1.00000
     41     -12.6954      1.00000
     42     -12.3406      1.00000
     43     -12.3140      1.00000
     44     -11.6316      1.00000
     45     -11.6228      1.00000
     46     -11.5706      1.00000
     47     -10.9407      1.00000
     48     -10.9232      1.00000
     49     -10.6657      1.00000
     50     -10.5907      1.00000
     51     -10.5725      1.00000
     52     -10.5010      1.00000
     53     -10.4884      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1028      1.00000
     57      -9.8983      1.00000
     58      -9.6089      1.00000
     59      -9.5522      1.00000
     60      -9.4535      1.00000
     61      -9.4180      1.00000
     62      -9.4095      1.00000
     63      -9.3809      1.00000
     64      -9.3722      1.00000
     65      -9.2674      1.00000
     66      -9.1654      1.00000
     67      -9.1414      1.00000
     68      -9.1161      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8023      1.00000
     72      -8.5965      1.00000
     73      -8.5253      1.00000
     74      -8.1933      1.00000
     75      -8.1713      1.00000
     76      -8.0787      1.00000
     77      -7.8590      1.00000
     78      -7.8374      1.00000
     79      -7.8204      1.00000
     80      -7.7111      1.00000
     81      -7.6966      1.00000
     82      -7.6016      1.00000
     83      -7.5239      1.00000
     84      -7.3517      1.00000
     85      -7.1650      1.00000
     86      -6.9053      1.00000
     87      -6.8963      1.00000
     88      -6.5927      1.00000
     89      -6.5512      1.00000
     90      -6.4062      1.00000
     91      -6.3022      1.00000
     92      -6.2473      1.00000
     93      -6.2015      1.00000
     94      -6.0033      1.00000
     95      -5.5299      1.00000
     96      -5.4659      1.00000
     97      -5.3127      1.00000
     98      -5.2104      1.00000
     99      -5.0437      1.00000
    100      -4.7210      1.00000
    101      -4.6702      1.00000
    102      -4.4177      1.00000
    103      -4.1907      1.00000
    104      -3.8354      1.00000
    105      -3.6303      1.00000
    106      -3.4130      1.00000
    107      -2.2930      0.00000
    108      -1.5081      0.00000
    109      -1.2716      0.00000
    110      -1.2639      0.00000
    111      -1.0348      0.00000
    112      -0.9800      0.00000
    113      -0.8693      0.00000
    114      -0.8005      0.00000
    115      -0.2624      0.00000
    116       0.2028      0.00000
    117       0.2384      0.00000
    118       0.3585      0.00000
    119       0.6931      0.00000
    120       0.8930      0.00000
    121       0.9230      0.00000
    122       1.0425      0.00000
    123       1.1678      0.00000
    124       1.5109      0.00000
    125       1.5725      0.00000
    126       1.7123      0.00000
    127       1.7793      0.00000
    128       1.8310      0.00000
    129       1.9591      0.00000
    130       1.9982      0.00000
    131       2.1747      0.00000
    132       2.2748      0.00000
    133       2.4240      0.00000
    134       2.4466      0.00000
    135       2.5122      0.00000
    136       2.6007      0.00000
    137       2.6181      0.00000
    138       2.7065      0.00000
    139       2.7685      0.00000
    140       2.8744      0.00000
    141       3.0433      0.00000
    142       3.0925      0.00000
    143       3.1910      0.00000
    144       3.2416      0.00000
    145       3.2478      0.00000
    146       3.3038      0.00000
    147       3.3709      0.00000
    148       3.4603      0.00000
    149       3.5333      0.00000
    150       3.6979      0.00000
    151       3.7181      0.00000
    152       3.7535      0.00000
    153       3.8333      0.00000
    154       3.8940      0.00000
    155       3.9434      0.00000
    156       3.9859      0.00000
    157       4.0091      0.00000
    158       4.0293      0.00000
    159       4.0511      0.00000
    160       4.0842      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3895      1.00000
      2     -21.8306      1.00000
      3     -21.6417      1.00000
      4     -21.6071      1.00000
      5     -21.2787      1.00000
      6     -21.2325      1.00000
      7     -21.0573      1.00000
      8     -20.1714      1.00000
      9     -20.1261      1.00000
     10     -19.6166      1.00000
     11     -19.5911      1.00000
     12     -19.4163      1.00000
     13     -19.0945      1.00000
     14     -19.0564      1.00000
     15     -19.0520      1.00000
     16     -19.0396      1.00000
     17     -18.3669      1.00000
     18     -18.3475      1.00000
     19     -18.0174      1.00000
     20     -17.0722      1.00000
     21     -17.0243      1.00000
     22     -16.9502      1.00000
     23     -16.9364      1.00000
     24     -16.4746      1.00000
     25     -16.4627      1.00000
     26     -15.6096      1.00000
     27     -15.6091      1.00000
     28     -15.2502      1.00000
     29     -15.2385      1.00000
     30     -15.1918      1.00000
     31     -15.1015      1.00000
     32     -15.0691      1.00000
     33     -14.6984      1.00000
     34     -14.6976      1.00000
     35     -13.7252      1.00000
     36     -13.7251      1.00000
     37     -13.2358      1.00000
     38     -12.6239      1.00000
     39     -12.5807      1.00000
     40     -12.4551      1.00000
     41     -12.4497      1.00000
     42     -12.1055      1.00000
     43     -12.1008      1.00000
     44     -11.7211      1.00000
     45     -11.6831      1.00000
     46     -11.2449      1.00000
     47     -11.2250      1.00000
     48     -11.0181      1.00000
     49     -11.0065      1.00000
     50     -10.9278      1.00000
     51     -10.8994      1.00000
     52     -10.6329      1.00000
     53     -10.1725      1.00000
     54     -10.1495      1.00000
     55     -10.0861      1.00000
     56      -9.9892      1.00000
     57      -9.6966      1.00000
     58      -9.6893      1.00000
     59      -9.6713      1.00000
     60      -9.5929      1.00000
     61      -9.5677      1.00000
     62      -9.5525      1.00000
     63      -9.3131      1.00000
     64      -9.3007      1.00000
     65      -9.2821      1.00000
     66      -9.2428      1.00000
     67      -9.1223      1.00000
     68      -9.1131      1.00000
     69      -9.1114      1.00000
     70      -8.9399      1.00000
     71      -8.8753      1.00000
     72      -8.6053      1.00000
     73      -8.5866      1.00000
     74      -8.2724      1.00000
     75      -8.1017      1.00000
     76      -7.8677      1.00000
     77      -7.8438      1.00000
     78      -7.7910      1.00000
     79      -7.7650      1.00000
     80      -7.7567      1.00000
     81      -7.4386      1.00000
     82      -7.3345      1.00000
     83      -7.3235      1.00000
     84      -7.2652      1.00000
     85      -7.1663      1.00000
     86      -7.0153      1.00000
     87      -6.9862      1.00000
     88      -6.7169      1.00000
     89      -6.6921      1.00000
     90      -6.6317      1.00000
     91      -6.5900      1.00000
     92      -6.1177      1.00000
     93      -6.0592      1.00000
     94      -6.0443      1.00000
     95      -6.0282      1.00000
     96      -5.7485      1.00000
     97      -4.9683      1.00000
     98      -4.8372      1.00000
     99      -4.7096      1.00000
    100      -4.6738      1.00000
    101      -4.4779      1.00000
    102      -4.3454      1.00000
    103      -4.1111      1.00000
    104      -4.0541      1.00000
    105      -3.7497      1.00000
    106      -3.4587      1.00000
    107      -1.9494      0.00000
    108      -1.7726      0.00000
    109      -1.4814      0.00000
    110      -1.3565      0.00000
    111      -1.3374      0.00000
    112      -1.2933      0.00000
    113      -0.6801      0.00000
    114      -0.4717      0.00000
    115      -0.2361      0.00000
    116       0.0493      0.00000
    117       0.5905      0.00000
    118       0.6919      0.00000
    119       0.7679      0.00000
    120       1.0188      0.00000
    121       1.0961      0.00000
    122       1.1759      0.00000
    123       1.2496      0.00000
    124       1.3409      0.00000
    125       1.4409      0.00000
    126       1.6063      0.00000
    127       1.7581      0.00000
    128       1.8444      0.00000
    129       1.8570      0.00000
    130       1.8887      0.00000
    131       2.0372      0.00000
    132       2.2211      0.00000
    133       2.2436      0.00000
    134       2.2995      0.00000
    135       2.4837      0.00000
    136       2.6212      0.00000
    137       2.6365      0.00000
    138       2.7671      0.00000
    139       2.8019      0.00000
    140       2.8355      0.00000
    141       2.8509      0.00000
    142       2.8560      0.00000
    143       2.9361      0.00000
    144       3.1026      0.00000
    145       3.3184      0.00000
    146       3.3545      0.00000
    147       3.3900      0.00000
    148       3.4136      0.00000
    149       3.4358      0.00000
    150       3.6074      0.00000
    151       3.6463      0.00000
    152       3.6902      0.00000
    153       3.7390      0.00000
    154       3.9024      0.00000
    155       3.9347      0.00000
    156       3.9599      0.00000
    157       4.1094      0.00000
    158       4.2110      0.00000
    159       4.2739      0.00000
    160       4.2904      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2083      1.00000
      2     -22.1201      1.00000
      3     -21.9572      1.00000
      4     -21.4048      1.00000
      5     -21.0462      1.00000
      6     -21.0183      1.00000
      7     -20.4959      1.00000
      8     -20.4665      1.00000
      9     -20.2868      1.00000
     10     -20.2850      1.00000
     11     -19.9561      1.00000
     12     -19.8945      1.00000
     13     -18.8826      1.00000
     14     -18.8167      1.00000
     15     -18.3377      1.00000
     16     -18.3191      1.00000
     17     -18.1493      1.00000
     18     -18.1422      1.00000
     19     -17.8159      1.00000
     20     -17.7984      1.00000
     21     -17.2578      1.00000
     22     -17.2389      1.00000
     23     -17.1612      1.00000
     24     -17.1356      1.00000
     25     -16.1165      1.00000
     26     -15.8805      1.00000
     27     -15.8697      1.00000
     28     -15.8403      1.00000
     29     -15.2317      1.00000
     30     -14.5508      1.00000
     31     -14.5326      1.00000
     32     -14.2764      1.00000
     33     -13.9748      1.00000
     34     -13.9518      1.00000
     35     -13.8249      1.00000
     36     -13.8029      1.00000
     37     -13.6041      1.00000
     38     -13.5794      1.00000
     39     -13.3706      1.00000
     40     -12.6388      1.00000
     41     -12.1688      1.00000
     42     -12.1431      1.00000
     43     -12.0675      1.00000
     44     -12.0221      1.00000
     45     -11.6653      1.00000
     46     -11.6608      1.00000
     47     -11.1364      1.00000
     48     -11.1258      1.00000
     49     -10.7893      1.00000
     50     -10.7349      1.00000
     51     -10.5302      1.00000
     52     -10.2088      1.00000
     53     -10.2028      1.00000
     54     -10.1710      1.00000
     55     -10.0227      1.00000
     56      -9.9944      1.00000
     57      -9.9906      1.00000
     58      -9.8057      1.00000
     59      -9.7966      1.00000
     60      -9.7653      1.00000
     61      -9.7570      1.00000
     62      -9.4541      1.00000
     63      -9.4162      1.00000
     64      -9.0848      1.00000
     65      -9.0463      1.00000
     66      -9.0258      1.00000
     67      -8.9701      1.00000
     68      -8.8965      1.00000
     69      -8.7087      1.00000
     70      -8.6999      1.00000
     71      -8.5601      1.00000
     72      -8.5490      1.00000
     73      -8.4792      1.00000
     74      -8.4607      1.00000
     75      -8.4569      1.00000
     76      -8.3050      1.00000
     77      -8.0943      1.00000
     78      -8.0910      1.00000
     79      -7.9276      1.00000
     80      -7.8328      1.00000
     81      -7.6007      1.00000
     82      -7.5373      1.00000
     83      -7.4521      1.00000
     84      -7.3023      1.00000
     85      -6.9943      1.00000
     86      -6.9198      1.00000
     87      -6.8818      1.00000
     88      -6.5280      1.00000
     89      -6.5152      1.00000
     90      -6.4812      1.00000
     91      -6.4207      1.00000
     92      -5.9257      1.00000
     93      -5.9043      1.00000
     94      -5.7890      1.00000
     95      -5.7745      1.00000
     96      -5.3676      1.00000
     97      -5.3613      1.00000
     98      -5.2214      1.00000
     99      -5.2155      1.00000
    100      -5.1985      1.00000
    101      -4.7169      1.00000
    102      -4.4347      1.00000
    103      -4.1870      1.00000
    104      -3.8123      1.00000
    105      -3.5576      1.00000
    106      -3.2223      1.00000
    107      -2.5632      0.00000
    108      -1.4612      0.00000
    109      -1.2695      0.00000
    110      -1.1867      0.00000
    111      -1.1847      0.00000
    112      -0.6457      0.00000
    113      -0.5533      0.00000
    114      -0.4150      0.00000
    115      -0.3488      0.00000
    116      -0.0790      0.00000
    117      -0.0653      0.00000
    118       0.1253      0.00000
    119       0.5917      0.00000
    120       0.6260      0.00000
    121       0.8575      0.00000
    122       0.9896      0.00000
    123       1.0046      0.00000
    124       1.4943      0.00000
    125       1.6879      0.00000
    126       1.7840      0.00000
    127       1.8710      0.00000
    128       2.1250      0.00000
    129       2.1255      0.00000
    130       2.1846      0.00000
    131       2.2101      0.00000
    132       2.2511      0.00000
    133       2.3430      0.00000
    134       2.4962      0.00000
    135       2.4987      0.00000
    136       2.6733      0.00000
    137       2.8518      0.00000
    138       2.8607      0.00000
    139       2.9610      0.00000
    140       3.0216      0.00000
    141       3.0564      0.00000
    142       3.1420      0.00000
    143       3.1799      0.00000
    144       3.2504      0.00000
    145       3.2647      0.00000
    146       3.2858      0.00000
    147       3.3087      0.00000
    148       3.3596      0.00000
    149       3.4243      0.00000
    150       3.5596      0.00000
    151       3.5721      0.00000
    152       3.6531      0.00000
    153       3.6646      0.00000
    154       3.6906      0.00000
    155       3.7214      0.00000
    156       3.9025      0.00000
    157       3.9705      0.00000
    158       4.0489      0.00000
    159       4.0908      0.00000
    160       4.1983      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2828      1.00000
      2     -22.0790      1.00000
      3     -21.7204      1.00000
      4     -21.6817      1.00000
      5     -20.9826      1.00000
      6     -20.9358      1.00000
      7     -20.6113      1.00000
      8     -20.5798      1.00000
      9     -20.5663      1.00000
     10     -20.0328      1.00000
     11     -19.5129      1.00000
     12     -19.4836      1.00000
     13     -19.3117      1.00000
     14     -19.2989      1.00000
     15     -18.4497      1.00000
     16     -18.4073      1.00000
     17     -17.9276      1.00000
     18     -17.9076      1.00000
     19     -17.7660      1.00000
     20     -17.7218      1.00000
     21     -17.4418      1.00000
     22     -17.4236      1.00000
     23     -17.3391      1.00000
     24     -16.4707      1.00000
     25     -16.4604      1.00000
     26     -15.9707      1.00000
     27     -15.4109      1.00000
     28     -15.4101      1.00000
     29     -15.0960      1.00000
     30     -15.0930      1.00000
     31     -14.8537      1.00000
     32     -14.8418      1.00000
     33     -14.2977      1.00000
     34     -14.2548      1.00000
     35     -13.4441      1.00000
     36     -13.4011      1.00000
     37     -13.1752      1.00000
     38     -13.1741      1.00000
     39     -12.9857      1.00000
     40     -12.9769      1.00000
     41     -12.6110      1.00000
     42     -12.6091      1.00000
     43     -12.1973      1.00000
     44     -11.5789      1.00000
     45     -11.5385      1.00000
     46     -11.3134      1.00000
     47     -11.2834      1.00000
     48     -11.1424      1.00000
     49     -10.6907      1.00000
     50     -10.6633      1.00000
     51     -10.5437      1.00000
     52     -10.3226      1.00000
     53     -10.3152      1.00000
     54     -10.1755      1.00000
     55     -10.1216      1.00000
     56     -10.1079      1.00000
     57      -9.8113      1.00000
     58      -9.7522      1.00000
     59      -9.7521      1.00000
     60      -9.7030      1.00000
     61      -9.6990      1.00000
     62      -9.6465      1.00000
     63      -9.3531      1.00000
     64      -9.3515      1.00000
     65      -9.3178      1.00000
     66      -9.0273      1.00000
     67      -8.9622      1.00000
     68      -8.9578      1.00000
     69      -8.7755      1.00000
     70      -8.5918      1.00000
     71      -8.5860      1.00000
     72      -8.4230      1.00000
     73      -8.3496      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2666      1.00000
     77      -8.2549      1.00000
     78      -8.2400      1.00000
     79      -7.9257      1.00000
     80      -7.7363      1.00000
     81      -7.3794      1.00000
     82      -7.3503      1.00000
     83      -7.3127      1.00000
     84      -7.2172      1.00000
     85      -7.1590      1.00000
     86      -7.0681      1.00000
     87      -6.9603      1.00000
     88      -6.9073      1.00000
     89      -6.6140      1.00000
     90      -6.5568      1.00000
     91      -6.2718      1.00000
     92      -5.9955      1.00000
     93      -5.9591      1.00000
     94      -5.6742      1.00000
     95      -5.6475      1.00000
     96      -5.3857      1.00000
     97      -5.3154      1.00000
     98      -5.2932      1.00000
     99      -5.2125      1.00000
    100      -5.2004      1.00000
    101      -4.5029      1.00000
    102      -4.3313      1.00000
    103      -3.9949      1.00000
    104      -3.8844      1.00000
    105      -3.7874      1.00000
    106      -3.4376      1.00000
    107      -2.0336      0.00000
    108      -1.8650      0.00000
    109      -1.2172      0.00000
    110      -1.1863      0.00000
    111      -1.0366      0.00000
    112      -0.7732      0.00000
    113      -0.6791      0.00000
    114      -0.6608      0.00000
    115      -0.6103      0.00000
    116      -0.1039      0.00000
    117       0.2217      0.00000
    118       0.2381      0.00000
    119       0.7733      0.00000
    120       0.9863      0.00000
    121       1.0741      0.00000
    122       1.2407      0.00000
    123       1.2508      0.00000
    124       1.3422      0.00000
    125       1.5802      0.00000
    126       1.5845      0.00000
    127       1.7159      0.00000
    128       1.7962      0.00000
    129       1.9514      0.00000
    130       1.9778      0.00000
    131       2.0657      0.00000
    132       2.2775      0.00000
    133       2.3427      0.00000
    134       2.4266      0.00000
    135       2.5484      0.00000
    136       2.6335      0.00000
    137       2.7509      0.00000
    138       2.8144      0.00000
    139       2.8504      0.00000
    140       2.8782      0.00000
    141       3.0564      0.00000
    142       3.1074      0.00000
    143       3.1632      0.00000
    144       3.2305      0.00000
    145       3.3751      0.00000
    146       3.4197      0.00000
    147       3.5171      0.00000
    148       3.5661      0.00000
    149       3.5924      0.00000
    150       3.6189      0.00000
    151       3.6596      0.00000
    152       3.7399      0.00000
    153       3.7523      0.00000
    154       3.7760      0.00000
    155       3.8011      0.00000
    156       3.8778      0.00000
    157       4.0253      0.00000
    158       4.0982      0.00000
    159       4.1808      0.00000
    160       4.2211      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4262      1.00000
      2     -21.6011      1.00000
      3     -21.4817      1.00000
      4     -21.4725      1.00000
      5     -21.4418      1.00000
      6     -21.4412      1.00000
      7     -21.4313      1.00000
      8     -19.7063      1.00000
      9     -19.6528      1.00000
     10     -19.6298      1.00000
     11     -19.6191      1.00000
     12     -19.6137      1.00000
     13     -19.6125      1.00000
     14     -18.7895      1.00000
     15     -18.7548      1.00000
     16     -18.7354      1.00000
     17     -18.7257      1.00000
     18     -18.7190      1.00000
     19     -18.7134      1.00000
     20     -16.6342      1.00000
     21     -16.6092      1.00000
     22     -16.5851      1.00000
     23     -16.5811      1.00000
     24     -16.5552      1.00000
     25     -16.5533      1.00000
     26     -15.6141      1.00000
     27     -15.6022      1.00000
     28     -15.5987      1.00000
     29     -15.5656      1.00000
     30     -15.5635      1.00000
     31     -15.5622      1.00000
     32     -14.2598      1.00000
     33     -14.2505      1.00000
     34     -14.2404      1.00000
     35     -14.2360      1.00000
     36     -14.2229      1.00000
     37     -14.2203      1.00000
     38     -11.9049      1.00000
     39     -11.8789      1.00000
     40     -11.8680      1.00000
     41     -11.8652      1.00000
     42     -11.8453      1.00000
     43     -11.8452      1.00000
     44     -11.7709      1.00000
     45     -11.7685      1.00000
     46     -11.7363      1.00000
     47     -11.7296      1.00000
     48     -11.7254      1.00000
     49     -11.7230      1.00000
     50     -10.6725      1.00000
     51     -10.3882      1.00000
     52     -10.3840      1.00000
     53     -10.3769      1.00000
     54     -10.3686      1.00000
     55     -10.3562      1.00000
     56     -10.3539      1.00000
     57      -9.9008      1.00000
     58      -9.4486      1.00000
     59      -9.4052      1.00000
     60      -9.3632      1.00000
     61      -9.3625      1.00000
     62      -9.3550      1.00000
     63      -9.1420      1.00000
     64      -9.1211      1.00000
     65      -9.1210      1.00000
     66      -9.0852      1.00000
     67      -9.0725      1.00000
     68      -9.0718      1.00000
     69      -9.0717      1.00000
     70      -9.0647      1.00000
     71      -9.0640      1.00000
     72      -9.0389      1.00000
     73      -9.0295      1.00000
     74      -9.0260      1.00000
     75      -8.1372      1.00000
     76      -7.7318      1.00000
     77      -7.4691      1.00000
     78      -7.4668      1.00000
     79      -7.4543      1.00000
     80      -7.4352      1.00000
     81      -7.4245      1.00000
     82      -7.4077      1.00000
     83      -7.3114      1.00000
     84      -7.2704      1.00000
     85      -7.2573      1.00000
     86      -7.2487      1.00000
     87      -7.1568      1.00000
     88      -7.0458      1.00000
     89      -6.4468      1.00000
     90      -6.4150      1.00000
     91      -6.3996      1.00000
     92      -6.3642      1.00000
     93      -6.3532      1.00000
     94      -6.3403      1.00000
     95      -5.9591      1.00000
     96      -5.9583      1.00000
     97      -4.7957      1.00000
     98      -4.5397      1.00000
     99      -4.4815      1.00000
    100      -4.4706      1.00000
    101      -4.3831      1.00000
    102      -4.3822      1.00000
    103      -4.2657      1.00000
    104      -4.1844      1.00000
    105      -3.7340      1.00000
    106      -3.4702      1.00000
    107      -1.8600      0.00000
    108      -1.6735      0.00000
    109      -1.6250      0.00000
    110      -1.5925      0.00000
    111      -1.5767      0.00000
    112      -1.5760      0.00000
    113      -0.4284      0.00000
    114       0.1416      0.00000
    115       0.1919      0.00000
    116       0.2547      0.00000
    117       0.2667      0.00000
    118       0.2701      0.00000
    119       0.4745      0.00000
    120       0.5523      0.00000
    121       1.2530      0.00000
    122       1.2887      0.00000
    123       1.5397      0.00000
    124       1.7764      0.00000
    125       1.7790      0.00000
    126       1.7799      0.00000
    127       1.7840      0.00000
    128       1.8316      0.00000
    129       1.9575      0.00000
    130       1.9708      0.00000
    131       1.9738      0.00000
    132       1.9880      0.00000
    133       1.9951      0.00000
    134       2.0820      0.00000
    135       2.2591      0.00000
    136       2.3390      0.00000
    137       2.6276      0.00000
    138       2.6302      0.00000
    139       2.6583      0.00000
    140       2.7284      0.00000
    141       2.9479      0.00000
    142       3.0364      0.00000
    143       3.0516      0.00000
    144       3.0770      0.00000
    145       3.0798      0.00000
    146       3.0812      0.00000
    147       3.1059      0.00000
    148       3.2802      0.00000
    149       3.4522      0.00000
    150       3.5211      0.00000
    151       3.8249      0.00000
    152       3.9663      0.00000
    153       3.9792      0.00000
    154       3.9826      0.00000
    155       3.9871      0.00000
    156       4.0061      0.00000
    157       4.1946      0.00000
    158       4.2654      0.00000
    159       4.2786      0.00000
    160       4.2866      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3895      1.00000
      2     -21.8302      1.00000
      3     -21.6387      1.00000
      4     -21.6110      1.00000
      5     -21.2746      1.00000
      6     -21.2360      1.00000
      7     -21.0576      1.00000
      8     -20.1676      1.00000
      9     -20.1301      1.00000
     10     -19.6088      1.00000
     11     -19.5979      1.00000
     12     -19.4175      1.00000
     13     -19.0895      1.00000
     14     -19.0604      1.00000
     15     -19.0494      1.00000
     16     -19.0421      1.00000
     17     -18.3610      1.00000
     18     -18.3528      1.00000
     19     -18.0193      1.00000
     20     -17.0687      1.00000
     21     -17.0305      1.00000
     22     -16.9443      1.00000
     23     -16.9410      1.00000
     24     -16.4681      1.00000
     25     -16.4640      1.00000
     26     -15.6141      1.00000
     27     -15.6078      1.00000
     28     -15.2526      1.00000
     29     -15.2437      1.00000
     30     -15.1847      1.00000
     31     -15.0984      1.00000
     32     -15.0718      1.00000
     33     -14.6989      1.00000
     34     -14.6969      1.00000
     35     -13.7268      1.00000
     36     -13.7242      1.00000
     37     -13.2360      1.00000
     38     -12.6141      1.00000
     39     -12.5846      1.00000
     40     -12.4545      1.00000
     41     -12.4509      1.00000
     42     -12.1094      1.00000
     43     -12.1049      1.00000
     44     -11.7174      1.00000
     45     -11.6869      1.00000
     46     -11.2352      1.00000
     47     -11.2266      1.00000
     48     -11.0179      1.00000
     49     -11.0100      1.00000
     50     -10.9267      1.00000
     51     -10.9057      1.00000
     52     -10.6268      1.00000
     53     -10.1552      1.00000
     54     -10.1514      1.00000
     55     -10.0922      1.00000
     56      -9.9965      1.00000
     57      -9.7029      1.00000
     58      -9.6951      1.00000
     59      -9.6563      1.00000
     60      -9.5916      1.00000
     61      -9.5771      1.00000
     62      -9.5589      1.00000
     63      -9.3071      1.00000
     64      -9.3036      1.00000
     65      -9.2739      1.00000
     66      -9.2367      1.00000
     67      -9.1365      1.00000
     68      -9.1155      1.00000
     69      -9.1118      1.00000
     70      -8.9402      1.00000
     71      -8.8726      1.00000
     72      -8.6049      1.00000
     73      -8.5912      1.00000
     74      -8.2394      1.00000
     75      -8.1009      1.00000
     76      -7.9092      1.00000
     77      -7.8641      1.00000
     78      -7.7718      1.00000
     79      -7.7574      1.00000
     80      -7.6958      1.00000
     81      -7.5533      1.00000
     82      -7.3393      1.00000
     83      -7.3234      1.00000
     84      -7.2055      1.00000
     85      -7.1220      1.00000
     86      -7.0325      1.00000
     87      -7.0126      1.00000
     88      -6.7042      1.00000
     89      -6.6789      1.00000
     90      -6.6413      1.00000
     91      -6.5972      1.00000
     92      -6.1166      1.00000
     93      -6.0620      1.00000
     94      -6.0311      1.00000
     95      -6.0116      1.00000
     96      -5.7824      1.00000
     97      -4.9678      1.00000
     98      -4.8309      1.00000
     99      -4.7464      1.00000
    100      -4.6788      1.00000
    101      -4.4618      1.00000
    102      -4.1994      1.00000
    103      -4.1707      1.00000
    104      -4.1273      1.00000
    105      -3.7247      1.00000
    106      -3.4801      1.00000
    107      -1.8698      0.00000
    108      -1.8107      0.00000
    109      -1.5241      0.00000
    110      -1.3790      0.00000
    111      -1.3226      0.00000
    112      -1.2891      0.00000
    113      -0.7202      0.00000
    114      -0.3766      0.00000
    115      -0.2518      0.00000
    116       0.0347      0.00000
    117       0.5575      0.00000
    118       0.6973      0.00000
    119       0.7457      0.00000
    120       1.0464      0.00000
    121       1.0988      0.00000
    122       1.1516      0.00000
    123       1.2265      0.00000
    124       1.3831      0.00000
    125       1.5252      0.00000
    126       1.5915      0.00000
    127       1.7181      0.00000
    128       1.8064      0.00000
    129       1.8563      0.00000
    130       1.8817      0.00000
    131       2.0947      0.00000
    132       2.1951      0.00000
    133       2.2428      0.00000
    134       2.3158      0.00000
    135       2.5223      0.00000
    136       2.6036      0.00000
    137       2.6279      0.00000
    138       2.7849      0.00000
    139       2.7997      0.00000
    140       2.8265      0.00000
    141       2.8451      0.00000
    142       2.9073      0.00000
    143       2.9367      0.00000
    144       3.0969      0.00000
    145       3.1662      0.00000
    146       3.3238      0.00000
    147       3.3679      0.00000
    148       3.4122      0.00000
    149       3.4785      0.00000
    150       3.6190      0.00000
    151       3.6467      0.00000
    152       3.6761      0.00000
    153       3.7206      0.00000
    154       3.9269      0.00000
    155       3.9662      0.00000
    156       4.0231      0.00000
    157       4.0701      0.00000
    158       4.2525      0.00000
    159       4.2633      0.00000
    160       4.2825      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2832      1.00000
      2     -22.0784      1.00000
      3     -21.7170      1.00000
      4     -21.6855      1.00000
      5     -20.9793      1.00000
      6     -20.9395      1.00000
      7     -20.6117      1.00000
      8     -20.5758      1.00000
      9     -20.5696      1.00000
     10     -20.0331      1.00000
     11     -19.5035      1.00000
     12     -19.4919      1.00000
     13     -19.3075      1.00000
     14     -19.3023      1.00000
     15     -18.4475      1.00000
     16     -18.4114      1.00000
     17     -17.9225      1.00000
     18     -17.9135      1.00000
     19     -17.7614      1.00000
     20     -17.7262      1.00000
     21     -17.4362      1.00000
     22     -17.4292      1.00000
     23     -17.3411      1.00000
     24     -16.4632      1.00000
     25     -16.4623      1.00000
     26     -15.9674      1.00000
     27     -15.4145      1.00000
     28     -15.4093      1.00000
     29     -15.0969      1.00000
     30     -15.0935      1.00000
     31     -14.8551      1.00000
     32     -14.8475      1.00000
     33     -14.2903      1.00000
     34     -14.2581      1.00000
     35     -13.4366      1.00000
     36     -13.4047      1.00000
     37     -13.1777      1.00000
     38     -13.1743      1.00000
     39     -12.9821      1.00000
     40     -12.9773      1.00000
     41     -12.6132      1.00000
     42     -12.6101      1.00000
     43     -12.1979      1.00000
     44     -11.5766      1.00000
     45     -11.5433      1.00000
     46     -11.3109      1.00000
     47     -11.2884      1.00000
     48     -11.1421      1.00000
     49     -10.6754      1.00000
     50     -10.6610      1.00000
     51     -10.5490      1.00000
     52     -10.3232      1.00000
     53     -10.3180      1.00000
     54     -10.1708      1.00000
     55     -10.1154      1.00000
     56     -10.1127      1.00000
     57      -9.7981      1.00000
     58      -9.7643      1.00000
     59      -9.7522      1.00000
     60      -9.7005      1.00000
     61      -9.6977      1.00000
     62      -9.6616      1.00000
     63      -9.3545      1.00000
     64      -9.3520      1.00000
     65      -9.3160      1.00000
     66      -9.0406      1.00000
     67      -8.9625      1.00000
     68      -8.9493      1.00000
     69      -8.7987      1.00000
     70      -8.5944      1.00000
     71      -8.5589      1.00000
     72      -8.3975      1.00000
     73      -8.3649      1.00000
     74      -8.3245      1.00000
     75      -8.3068      1.00000
     76      -8.2594      1.00000
     77      -8.2574      1.00000
     78      -8.2369      1.00000
     79      -7.9088      1.00000
     80      -7.6516      1.00000
     81      -7.5423      1.00000
     82      -7.3864      1.00000
     83      -7.3500      1.00000
     84      -7.2317      1.00000
     85      -7.0984      1.00000
     86      -7.0384      1.00000
     87      -6.9349      1.00000
     88      -6.8465      1.00000
     89      -6.6129      1.00000
     90      -6.5595      1.00000
     91      -6.2701      1.00000
     92      -6.0420      1.00000
     93      -5.9512      1.00000
     94      -5.6618      1.00000
     95      -5.6229      1.00000
     96      -5.4598      1.00000
     97      -5.3186      1.00000
     98      -5.2785      1.00000
     99      -5.2137      1.00000
    100      -5.1948      1.00000
    101      -4.4989      1.00000
    102      -4.2029      1.00000
    103      -4.0554      1.00000
    104      -3.9892      1.00000
    105      -3.6907      1.00000
    106      -3.4903      1.00000
    107      -1.9460      0.00000
    108      -1.8984      0.00000
    109      -1.3372      0.00000
    110      -1.0860      0.00000
    111      -1.0599      0.00000
    112      -0.8013      0.00000
    113      -0.6790      0.00000
    114      -0.6478      0.00000
    115      -0.6084      0.00000
    116      -0.1098      0.00000
    117       0.2142      0.00000
    118       0.3274      0.00000
    119       0.6974      0.00000
    120       0.8878      0.00000
    121       1.1247      0.00000
    122       1.1986      0.00000
    123       1.3300      0.00000
    124       1.4245      0.00000
    125       1.5556      0.00000
    126       1.5771      0.00000
    127       1.6907      0.00000
    128       1.8112      0.00000
    129       1.8852      0.00000
    130       2.0594      0.00000
    131       2.1128      0.00000
    132       2.3134      0.00000
    133       2.3533      0.00000
    134       2.4078      0.00000
    135       2.5570      0.00000
    136       2.6354      0.00000
    137       2.7364      0.00000
    138       2.7422      0.00000
    139       2.8121      0.00000
    140       2.8926      0.00000
    141       3.0551      0.00000
    142       3.0673      0.00000
    143       3.1765      0.00000
    144       3.2723      0.00000
    145       3.3653      0.00000
    146       3.4227      0.00000
    147       3.4447      0.00000
    148       3.5713      0.00000
    149       3.5888      0.00000
    150       3.6140      0.00000
    151       3.6612      0.00000
    152       3.6806      0.00000
    153       3.7808      0.00000
    154       3.7942      0.00000
    155       3.8098      0.00000
    156       3.8937      0.00000
    157       3.9339      0.00000
    158       3.9979      0.00000
    159       4.2257      0.00000
    160       4.2290      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3173      1.00000
      2     -21.9624      1.00000
      3     -21.8949      1.00000
      4     -21.3811      1.00000
      5     -21.3524      1.00000
      6     -20.8393      1.00000
      7     -20.7756      1.00000
      8     -20.6244      1.00000
      9     -20.0779      1.00000
     10     -20.0725      1.00000
     11     -19.7171      1.00000
     12     -19.6930      1.00000
     13     -18.9967      1.00000
     14     -18.9910      1.00000
     15     -18.6412      1.00000
     16     -18.6255      1.00000
     17     -18.4622      1.00000
     18     -17.6746      1.00000
     19     -17.6252      1.00000
     20     -17.6222      1.00000
     21     -17.5811      1.00000
     22     -17.1266      1.00000
     23     -17.1057      1.00000
     24     -16.9632      1.00000
     25     -16.0026      1.00000
     26     -15.9295      1.00000
     27     -15.5860      1.00000
     28     -15.5859      1.00000
     29     -15.2868      1.00000
     30     -14.8644      1.00000
     31     -14.8376      1.00000
     32     -14.5785      1.00000
     33     -14.5378      1.00000
     34     -14.1690      1.00000
     35     -14.1557      1.00000
     36     -13.1488      1.00000
     37     -13.1000      1.00000
     38     -13.0303      1.00000
     39     -13.0198      1.00000
     40     -12.7090      1.00000
     41     -12.7052      1.00000
     42     -12.3416      1.00000
     43     -12.3111      1.00000
     44     -11.6360      1.00000
     45     -11.6229      1.00000
     46     -11.5723      1.00000
     47     -10.9497      1.00000
     48     -10.9169      1.00000
     49     -10.6306      1.00000
     50     -10.6245      1.00000
     51     -10.5455      1.00000
     52     -10.5004      1.00000
     53     -10.4997      1.00000
     54     -10.4404      1.00000
     55     -10.3602      1.00000
     56     -10.0986      1.00000
     57      -9.9041      1.00000
     58      -9.6077      1.00000
     59      -9.5569      1.00000
     60      -9.4532      1.00000
     61      -9.4127      1.00000
     62      -9.4049      1.00000
     63      -9.3775      1.00000
     64      -9.3773      1.00000
     65      -9.2866      1.00000
     66      -9.1687      1.00000
     67      -9.1439      1.00000
     68      -9.1150      1.00000
     69      -8.8648      1.00000
     70      -8.8580      1.00000
     71      -8.8152      1.00000
     72      -8.5973      1.00000
     73      -8.4799      1.00000
     74      -8.1995      1.00000
     75      -8.1637      1.00000
     76      -8.0130      1.00000
     77      -7.9571      1.00000
     78      -7.8508      1.00000
     79      -7.8405      1.00000
     80      -7.7068      1.00000
     81      -7.6965      1.00000
     82      -7.6249      1.00000
     83      -7.4454      1.00000
     84      -7.3053      1.00000
     85      -7.2467      1.00000
     86      -6.9071      1.00000
     87      -6.8930      1.00000
     88      -6.5891      1.00000
     89      -6.5506      1.00000
     90      -6.4073      1.00000
     91      -6.2539      1.00000
     92      -6.2328      1.00000
     93      -6.2055      1.00000
     94      -6.0220      1.00000
     95      -5.5483      1.00000
     96      -5.4875      1.00000
     97      -5.3478      1.00000
     98      -5.2197      1.00000
     99      -4.9798      1.00000
    100      -4.7280      1.00000
    101      -4.6768      1.00000
    102      -4.3831      1.00000
    103      -4.1983      1.00000
    104      -3.8642      1.00000
    105      -3.5464      1.00000
    106      -3.5015      1.00000
    107      -2.2577      0.00000
    108      -1.4542      0.00000
    109      -1.3738      0.00000
    110      -1.2423      0.00000
    111      -1.0980      0.00000
    112      -0.9459      0.00000
    113      -0.8650      0.00000
    114      -0.8047      0.00000
    115      -0.1413      0.00000
    116       0.1075      0.00000
    117       0.2400      0.00000
    118       0.3761      0.00000
    119       0.6556      0.00000
    120       0.8339      0.00000
    121       0.9361      0.00000
    122       1.0657      0.00000
    123       1.2379      0.00000
    124       1.4455      0.00000
    125       1.5660      0.00000
    126       1.7661      0.00000
    127       1.7924      0.00000
    128       1.8692      0.00000
    129       1.9823      0.00000
    130       2.0400      0.00000
    131       2.1856      0.00000
    132       2.1865      0.00000
    133       2.4210      0.00000
    134       2.4398      0.00000
    135       2.5158      0.00000
    136       2.6038      0.00000
    137       2.6351      0.00000
    138       2.7020      0.00000
    139       2.7903      0.00000
    140       2.8482      0.00000
    141       2.9630      0.00000
    142       3.0940      0.00000
    143       3.1951      0.00000
    144       3.2103      0.00000
    145       3.2480      0.00000
    146       3.3314      0.00000
    147       3.3449      0.00000
    148       3.4759      0.00000
    149       3.5128      0.00000
    150       3.6981      0.00000
    151       3.7195      0.00000
    152       3.7280      0.00000
    153       3.8641      0.00000
    154       3.9113      0.00000
    155       3.9586      0.00000
    156       3.9821      0.00000
    157       4.0036      0.00000
    158       4.0356      0.00000
    159       4.0612      0.00000
    160       4.0736      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2093      1.00000
      2     -22.1187      1.00000
      3     -21.9576      1.00000
      4     -21.4048      1.00000
      5     -21.0498      1.00000
      6     -21.0146      1.00000
      7     -20.5005      1.00000
      8     -20.4619      1.00000
      9     -20.2955      1.00000
     10     -20.2764      1.00000
     11     -19.9575      1.00000
     12     -19.8930      1.00000
     13     -18.8824      1.00000
     14     -18.8149      1.00000
     15     -18.3526      1.00000
     16     -18.3070      1.00000
     17     -18.1536      1.00000
     18     -18.1367      1.00000
     19     -17.8269      1.00000
     20     -17.7896      1.00000
     21     -17.2520      1.00000
     22     -17.2426      1.00000
     23     -17.1651      1.00000
     24     -17.1336      1.00000
     25     -16.1105      1.00000
     26     -15.8857      1.00000
     27     -15.8706      1.00000
     28     -15.8351      1.00000
     29     -15.2367      1.00000
     30     -14.5554      1.00000
     31     -14.5279      1.00000
     32     -14.2805      1.00000
     33     -13.9639      1.00000
     34     -13.9569      1.00000
     35     -13.8206      1.00000
     36     -13.8054      1.00000
     37     -13.6150      1.00000
     38     -13.5714      1.00000
     39     -13.3705      1.00000
     40     -12.6350      1.00000
     41     -12.1812      1.00000
     42     -12.1336      1.00000
     43     -12.0722      1.00000
     44     -12.0207      1.00000
     45     -11.6698      1.00000
     46     -11.6566      1.00000
     47     -11.1392      1.00000
     48     -11.1192      1.00000
     49     -10.7950      1.00000
     50     -10.7320      1.00000
     51     -10.5231      1.00000
     52     -10.2084      1.00000
     53     -10.2060      1.00000
     54     -10.1653      1.00000
     55     -10.0180      1.00000
     56     -10.0048      1.00000
     57      -9.9913      1.00000
     58      -9.8019      1.00000
     59      -9.7980      1.00000
     60      -9.7630      1.00000
     61      -9.7585      1.00000
     62      -9.4554      1.00000
     63      -9.4164      1.00000
     64      -9.0794      1.00000
     65      -9.0728      1.00000
     66      -9.0422      1.00000
     67      -8.9554      1.00000
     68      -8.8769      1.00000
     69      -8.7125      1.00000
     70      -8.7003      1.00000
     71      -8.5666      1.00000
     72      -8.5438      1.00000
     73      -8.4991      1.00000
     74      -8.4634      1.00000
     75      -8.4540      1.00000
     76      -8.2590      1.00000
     77      -8.1260      1.00000
     78      -8.0429      1.00000
     79      -7.9164      1.00000
     80      -7.8620      1.00000
     81      -7.6171      1.00000
     82      -7.5485      1.00000
     83      -7.4946      1.00000
     84      -7.2610      1.00000
     85      -6.9952      1.00000
     86      -6.9241      1.00000
     87      -6.8834      1.00000
     88      -6.5331      1.00000
     89      -6.4874      1.00000
     90      -6.4605      1.00000
     91      -6.4109      1.00000
     92      -5.9819      1.00000
     93      -5.8963      1.00000
     94      -5.7843      1.00000
     95      -5.7602      1.00000
     96      -5.4292      1.00000
     97      -5.3278      1.00000
     98      -5.2303      1.00000
     99      -5.2172      1.00000
    100      -5.1894      1.00000
    101      -4.6889      1.00000
    102      -4.4156      1.00000
    103      -4.2046      1.00000
    104      -3.8262      1.00000
    105      -3.5206      1.00000
    106      -3.2750      1.00000
    107      -2.5323      0.00000
    108      -1.4559      0.00000
    109      -1.2691      0.00000
    110      -1.2042      0.00000
    111      -1.1730      0.00000
    112      -0.7204      0.00000
    113      -0.5048      0.00000
    114      -0.4133      0.00000
    115      -0.3407      0.00000
    116      -0.1470      0.00000
    117      -0.0042      0.00000
    118       0.1918      0.00000
    119       0.5591      0.00000
    120       0.6119      0.00000
    121       0.7997      0.00000
    122       0.9088      0.00000
    123       1.1354      0.00000
    124       1.4990      0.00000
    125       1.6396      0.00000
    126       1.8656      0.00000
    127       1.9355      0.00000
    128       2.1141      0.00000
    129       2.1246      0.00000
    130       2.1309      0.00000
    131       2.1783      0.00000
    132       2.2793      0.00000
    133       2.3264      0.00000
    134       2.4601      0.00000
    135       2.5772      0.00000
    136       2.6633      0.00000
    137       2.8606      0.00000
    138       2.8715      0.00000
    139       2.9004      0.00000
    140       3.0347      0.00000
    141       3.0409      0.00000
    142       3.1480      0.00000
    143       3.1684      0.00000
    144       3.2404      0.00000
    145       3.2828      0.00000
    146       3.2888      0.00000
    147       3.3054      0.00000
    148       3.3508      0.00000
    149       3.4323      0.00000
    150       3.4517      0.00000
    151       3.5579      0.00000
    152       3.6269      0.00000
    153       3.6940      0.00000
    154       3.7227      0.00000
    155       3.7821      0.00000
    156       3.8999      0.00000
    157       3.9499      0.00000
    158       4.0139      0.00000
    159       4.1464      0.00000
    160       4.2371      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3171      1.00000
      2     -21.9641      1.00000
      3     -21.8933      1.00000
      4     -21.3846      1.00000
      5     -21.3489      1.00000
      6     -20.8394      1.00000
      7     -20.7742      1.00000
      8     -20.6254      1.00000
      9     -20.0895      1.00000
     10     -20.0614      1.00000
     11     -19.7188      1.00000
     12     -19.6904      1.00000
     13     -19.0096      1.00000
     14     -18.9793      1.00000
     15     -18.6502      1.00000
     16     -18.6175      1.00000
     17     -18.4612      1.00000
     18     -17.6603      1.00000
     19     -17.6472      1.00000
     20     -17.6113      1.00000
     21     -17.5791      1.00000
     22     -17.1372      1.00000
     23     -17.0978      1.00000
     24     -16.9662      1.00000
     25     -16.0082      1.00000
     26     -15.9235      1.00000
     27     -15.5990      1.00000
     28     -15.5760      1.00000
     29     -15.2803      1.00000
     30     -14.8768      1.00000
     31     -14.8301      1.00000
     32     -14.5750      1.00000
     33     -14.5377      1.00000
     34     -14.1639      1.00000
     35     -14.1602      1.00000
     36     -13.1620      1.00000
     37     -13.0964      1.00000
     38     -13.0239      1.00000
     39     -13.0191      1.00000
     40     -12.7181      1.00000
     41     -12.6954      1.00000
     42     -12.3406      1.00000
     43     -12.3140      1.00000
     44     -11.6316      1.00000
     45     -11.6228      1.00000
     46     -11.5706      1.00000
     47     -10.9407      1.00000
     48     -10.9232      1.00000
     49     -10.6657      1.00000
     50     -10.5907      1.00000
     51     -10.5725      1.00000
     52     -10.5010      1.00000
     53     -10.4884      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1028      1.00000
     57      -9.8983      1.00000
     58      -9.6089      1.00000
     59      -9.5522      1.00000
     60      -9.4535      1.00000
     61      -9.4180      1.00000
     62      -9.4095      1.00000
     63      -9.3809      1.00000
     64      -9.3722      1.00000
     65      -9.2674      1.00000
     66      -9.1654      1.00000
     67      -9.1414      1.00000
     68      -9.1161      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8023      1.00000
     72      -8.5965      1.00000
     73      -8.5253      1.00000
     74      -8.1933      1.00000
     75      -8.1713      1.00000
     76      -8.0787      1.00000
     77      -7.8590      1.00000
     78      -7.8374      1.00000
     79      -7.8204      1.00000
     80      -7.7111      1.00000
     81      -7.6966      1.00000
     82      -7.6016      1.00000
     83      -7.5239      1.00000
     84      -7.3517      1.00000
     85      -7.1649      1.00000
     86      -6.9053      1.00000
     87      -6.8963      1.00000
     88      -6.5927      1.00000
     89      -6.5512      1.00000
     90      -6.4062      1.00000
     91      -6.3022      1.00000
     92      -6.2473      1.00000
     93      -6.2015      1.00000
     94      -6.0033      1.00000
     95      -5.5299      1.00000
     96      -5.4659      1.00000
     97      -5.3127      1.00000
     98      -5.2104      1.00000
     99      -5.0437      1.00000
    100      -4.7210      1.00000
    101      -4.6702      1.00000
    102      -4.4176      1.00000
    103      -4.1907      1.00000
    104      -3.8354      1.00000
    105      -3.6303      1.00000
    106      -3.4130      1.00000
    107      -2.2930      0.00000
    108      -1.5081      0.00000
    109      -1.2716      0.00000
    110      -1.2639      0.00000
    111      -1.0348      0.00000
    112      -0.9800      0.00000
    113      -0.8693      0.00000
    114      -0.8005      0.00000
    115      -0.2624      0.00000
    116       0.2028      0.00000
    117       0.2384      0.00000
    118       0.3585      0.00000
    119       0.6931      0.00000
    120       0.8930      0.00000
    121       0.9230      0.00000
    122       1.0425      0.00000
    123       1.1678      0.00000
    124       1.5108      0.00000
    125       1.5725      0.00000
    126       1.7123      0.00000
    127       1.7793      0.00000
    128       1.8309      0.00000
    129       1.9591      0.00000
    130       1.9982      0.00000
    131       2.1747      0.00000
    132       2.2748      0.00000
    133       2.4239      0.00000
    134       2.4466      0.00000
    135       2.5122      0.00000
    136       2.6007      0.00000
    137       2.6181      0.00000
    138       2.7065      0.00000
    139       2.7686      0.00000
    140       2.8744      0.00000
    141       3.0433      0.00000
    142       3.0925      0.00000
    143       3.1910      0.00000
    144       3.2416      0.00000
    145       3.2478      0.00000
    146       3.3038      0.00000
    147       3.3709      0.00000
    148       3.4604      0.00000
    149       3.5333      0.00000
    150       3.6979      0.00000
    151       3.7181      0.00000
    152       3.7535      0.00000
    153       3.8333      0.00000
    154       3.8941      0.00000
    155       3.9434      0.00000
    156       3.9859      0.00000
    157       4.0091      0.00000
    158       4.0293      0.00000
    159       4.0510      0.00000
    160       4.0842      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3895      1.00000
      2     -21.8306      1.00000
      3     -21.6417      1.00000
      4     -21.6071      1.00000
      5     -21.2787      1.00000
      6     -21.2325      1.00000
      7     -21.0573      1.00000
      8     -20.1714      1.00000
      9     -20.1261      1.00000
     10     -19.6166      1.00000
     11     -19.5911      1.00000
     12     -19.4163      1.00000
     13     -19.0945      1.00000
     14     -19.0564      1.00000
     15     -19.0520      1.00000
     16     -19.0396      1.00000
     17     -18.3669      1.00000
     18     -18.3475      1.00000
     19     -18.0174      1.00000
     20     -17.0722      1.00000
     21     -17.0243      1.00000
     22     -16.9502      1.00000
     23     -16.9364      1.00000
     24     -16.4746      1.00000
     25     -16.4627      1.00000
     26     -15.6096      1.00000
     27     -15.6091      1.00000
     28     -15.2502      1.00000
     29     -15.2385      1.00000
     30     -15.1918      1.00000
     31     -15.1015      1.00000
     32     -15.0691      1.00000
     33     -14.6984      1.00000
     34     -14.6976      1.00000
     35     -13.7252      1.00000
     36     -13.7251      1.00000
     37     -13.2358      1.00000
     38     -12.6239      1.00000
     39     -12.5807      1.00000
     40     -12.4551      1.00000
     41     -12.4497      1.00000
     42     -12.1055      1.00000
     43     -12.1008      1.00000
     44     -11.7211      1.00000
     45     -11.6831      1.00000
     46     -11.2449      1.00000
     47     -11.2250      1.00000
     48     -11.0181      1.00000
     49     -11.0065      1.00000
     50     -10.9278      1.00000
     51     -10.8994      1.00000
     52     -10.6329      1.00000
     53     -10.1725      1.00000
     54     -10.1495      1.00000
     55     -10.0861      1.00000
     56      -9.9892      1.00000
     57      -9.6966      1.00000
     58      -9.6893      1.00000
     59      -9.6713      1.00000
     60      -9.5929      1.00000
     61      -9.5677      1.00000
     62      -9.5525      1.00000
     63      -9.3131      1.00000
     64      -9.3007      1.00000
     65      -9.2821      1.00000
     66      -9.2428      1.00000
     67      -9.1223      1.00000
     68      -9.1131      1.00000
     69      -9.1114      1.00000
     70      -8.9399      1.00000
     71      -8.8753      1.00000
     72      -8.6053      1.00000
     73      -8.5866      1.00000
     74      -8.2724      1.00000
     75      -8.1017      1.00000
     76      -7.8677      1.00000
     77      -7.8438      1.00000
     78      -7.7910      1.00000
     79      -7.7650      1.00000
     80      -7.7567      1.00000
     81      -7.4386      1.00000
     82      -7.3345      1.00000
     83      -7.3235      1.00000
     84      -7.2652      1.00000
     85      -7.1663      1.00000
     86      -7.0153      1.00000
     87      -6.9862      1.00000
     88      -6.7169      1.00000
     89      -6.6921      1.00000
     90      -6.6317      1.00000
     91      -6.5900      1.00000
     92      -6.1177      1.00000
     93      -6.0592      1.00000
     94      -6.0443      1.00000
     95      -6.0282      1.00000
     96      -5.7485      1.00000
     97      -4.9683      1.00000
     98      -4.8372      1.00000
     99      -4.7096      1.00000
    100      -4.6738      1.00000
    101      -4.4779      1.00000
    102      -4.3454      1.00000
    103      -4.1111      1.00000
    104      -4.0541      1.00000
    105      -3.7496      1.00000
    106      -3.4587      1.00000
    107      -1.9494      0.00000
    108      -1.7726      0.00000
    109      -1.4814      0.00000
    110      -1.3565      0.00000
    111      -1.3374      0.00000
    112      -1.2933      0.00000
    113      -0.6801      0.00000
    114      -0.4717      0.00000
    115      -0.2361      0.00000
    116       0.0493      0.00000
    117       0.5905      0.00000
    118       0.6919      0.00000
    119       0.7679      0.00000
    120       1.0188      0.00000
    121       1.0961      0.00000
    122       1.1759      0.00000
    123       1.2496      0.00000
    124       1.3409      0.00000
    125       1.4409      0.00000
    126       1.6063      0.00000
    127       1.7581      0.00000
    128       1.8444      0.00000
    129       1.8570      0.00000
    130       1.8886      0.00000
    131       2.0371      0.00000
    132       2.2210      0.00000
    133       2.2437      0.00000
    134       2.2994      0.00000
    135       2.4837      0.00000
    136       2.6212      0.00000
    137       2.6365      0.00000
    138       2.7671      0.00000
    139       2.8018      0.00000
    140       2.8355      0.00000
    141       2.8508      0.00000
    142       2.8560      0.00000
    143       2.9361      0.00000
    144       3.1026      0.00000
    145       3.3184      0.00000
    146       3.3545      0.00000
    147       3.3900      0.00000
    148       3.4137      0.00000
    149       3.4357      0.00000
    150       3.6074      0.00000
    151       3.6463      0.00000
    152       3.6902      0.00000
    153       3.7390      0.00000
    154       3.9024      0.00000
    155       3.9347      0.00000
    156       3.9599      0.00000
    157       4.1095      0.00000
    158       4.2109      0.00000
    159       4.2739      0.00000
    160       4.2904      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2083      1.00000
      2     -22.1201      1.00000
      3     -21.9572      1.00000
      4     -21.4048      1.00000
      5     -21.0462      1.00000
      6     -21.0183      1.00000
      7     -20.4959      1.00000
      8     -20.4665      1.00000
      9     -20.2868      1.00000
     10     -20.2850      1.00000
     11     -19.9561      1.00000
     12     -19.8945      1.00000
     13     -18.8826      1.00000
     14     -18.8167      1.00000
     15     -18.3377      1.00000
     16     -18.3191      1.00000
     17     -18.1493      1.00000
     18     -18.1422      1.00000
     19     -17.8159      1.00000
     20     -17.7984      1.00000
     21     -17.2578      1.00000
     22     -17.2389      1.00000
     23     -17.1612      1.00000
     24     -17.1356      1.00000
     25     -16.1165      1.00000
     26     -15.8805      1.00000
     27     -15.8697      1.00000
     28     -15.8403      1.00000
     29     -15.2317      1.00000
     30     -14.5508      1.00000
     31     -14.5326      1.00000
     32     -14.2764      1.00000
     33     -13.9748      1.00000
     34     -13.9518      1.00000
     35     -13.8249      1.00000
     36     -13.8029      1.00000
     37     -13.6041      1.00000
     38     -13.5794      1.00000
     39     -13.3706      1.00000
     40     -12.6388      1.00000
     41     -12.1688      1.00000
     42     -12.1431      1.00000
     43     -12.0675      1.00000
     44     -12.0221      1.00000
     45     -11.6653      1.00000
     46     -11.6608      1.00000
     47     -11.1364      1.00000
     48     -11.1258      1.00000
     49     -10.7893      1.00000
     50     -10.7349      1.00000
     51     -10.5301      1.00000
     52     -10.2088      1.00000
     53     -10.2028      1.00000
     54     -10.1710      1.00000
     55     -10.0227      1.00000
     56      -9.9944      1.00000
     57      -9.9906      1.00000
     58      -9.8057      1.00000
     59      -9.7966      1.00000
     60      -9.7653      1.00000
     61      -9.7570      1.00000
     62      -9.4541      1.00000
     63      -9.4162      1.00000
     64      -9.0848      1.00000
     65      -9.0463      1.00000
     66      -9.0258      1.00000
     67      -8.9701      1.00000
     68      -8.8965      1.00000
     69      -8.7087      1.00000
     70      -8.6999      1.00000
     71      -8.5601      1.00000
     72      -8.5490      1.00000
     73      -8.4792      1.00000
     74      -8.4607      1.00000
     75      -8.4569      1.00000
     76      -8.3050      1.00000
     77      -8.0943      1.00000
     78      -8.0910      1.00000
     79      -7.9276      1.00000
     80      -7.8328      1.00000
     81      -7.6007      1.00000
     82      -7.5373      1.00000
     83      -7.4521      1.00000
     84      -7.3022      1.00000
     85      -6.9943      1.00000
     86      -6.9198      1.00000
     87      -6.8818      1.00000
     88      -6.5280      1.00000
     89      -6.5152      1.00000
     90      -6.4812      1.00000
     91      -6.4207      1.00000
     92      -5.9257      1.00000
     93      -5.9043      1.00000
     94      -5.7890      1.00000
     95      -5.7745      1.00000
     96      -5.3676      1.00000
     97      -5.3613      1.00000
     98      -5.2214      1.00000
     99      -5.2155      1.00000
    100      -5.1985      1.00000
    101      -4.7169      1.00000
    102      -4.4347      1.00000
    103      -4.1869      1.00000
    104      -3.8122      1.00000
    105      -3.5576      1.00000
    106      -3.2223      1.00000
    107      -2.5632      0.00000
    108      -1.4612      0.00000
    109      -1.2695      0.00000
    110      -1.1867      0.00000
    111      -1.1847      0.00000
    112      -0.6457      0.00000
    113      -0.5533      0.00000
    114      -0.4150      0.00000
    115      -0.3488      0.00000
    116      -0.0790      0.00000
    117      -0.0653      0.00000
    118       0.1253      0.00000
    119       0.5917      0.00000
    120       0.6260      0.00000
    121       0.8575      0.00000
    122       0.9895      0.00000
    123       1.0045      0.00000
    124       1.4943      0.00000
    125       1.6879      0.00000
    126       1.7840      0.00000
    127       1.8710      0.00000
    128       2.1250      0.00000
    129       2.1256      0.00000
    130       2.1845      0.00000
    131       2.2101      0.00000
    132       2.2511      0.00000
    133       2.3430      0.00000
    134       2.4962      0.00000
    135       2.4987      0.00000
    136       2.6733      0.00000
    137       2.8518      0.00000
    138       2.8607      0.00000
    139       2.9610      0.00000
    140       3.0216      0.00000
    141       3.0563      0.00000
    142       3.1419      0.00000
    143       3.1800      0.00000
    144       3.2504      0.00000
    145       3.2647      0.00000
    146       3.2858      0.00000
    147       3.3087      0.00000
    148       3.3596      0.00000
    149       3.4242      0.00000
    150       3.5597      0.00000
    151       3.5721      0.00000
    152       3.6531      0.00000
    153       3.6646      0.00000
    154       3.6907      0.00000
    155       3.7214      0.00000
    156       3.9024      0.00000
    157       3.9704      0.00000
    158       4.0489      0.00000
    159       4.0908      0.00000
    160       4.1983      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2828      1.00000
      2     -22.0790      1.00000
      3     -21.7204      1.00000
      4     -21.6817      1.00000
      5     -20.9826      1.00000
      6     -20.9358      1.00000
      7     -20.6113      1.00000
      8     -20.5798      1.00000
      9     -20.5663      1.00000
     10     -20.0328      1.00000
     11     -19.5129      1.00000
     12     -19.4836      1.00000
     13     -19.3117      1.00000
     14     -19.2989      1.00000
     15     -18.4497      1.00000
     16     -18.4073      1.00000
     17     -17.9276      1.00000
     18     -17.9076      1.00000
     19     -17.7660      1.00000
     20     -17.7218      1.00000
     21     -17.4418      1.00000
     22     -17.4236      1.00000
     23     -17.3391      1.00000
     24     -16.4707      1.00000
     25     -16.4604      1.00000
     26     -15.9707      1.00000
     27     -15.4109      1.00000
     28     -15.4101      1.00000
     29     -15.0960      1.00000
     30     -15.0930      1.00000
     31     -14.8537      1.00000
     32     -14.8418      1.00000
     33     -14.2977      1.00000
     34     -14.2548      1.00000
     35     -13.4441      1.00000
     36     -13.4011      1.00000
     37     -13.1752      1.00000
     38     -13.1741      1.00000
     39     -12.9857      1.00000
     40     -12.9769      1.00000
     41     -12.6110      1.00000
     42     -12.6091      1.00000
     43     -12.1973      1.00000
     44     -11.5789      1.00000
     45     -11.5385      1.00000
     46     -11.3134      1.00000
     47     -11.2834      1.00000
     48     -11.1424      1.00000
     49     -10.6907      1.00000
     50     -10.6633      1.00000
     51     -10.5437      1.00000
     52     -10.3226      1.00000
     53     -10.3152      1.00000
     54     -10.1755      1.00000
     55     -10.1216      1.00000
     56     -10.1079      1.00000
     57      -9.8113      1.00000
     58      -9.7522      1.00000
     59      -9.7521      1.00000
     60      -9.7030      1.00000
     61      -9.6990      1.00000
     62      -9.6465      1.00000
     63      -9.3531      1.00000
     64      -9.3515      1.00000
     65      -9.3178      1.00000
     66      -9.0273      1.00000
     67      -8.9622      1.00000
     68      -8.9578      1.00000
     69      -8.7755      1.00000
     70      -8.5918      1.00000
     71      -8.5860      1.00000
     72      -8.4230      1.00000
     73      -8.3496      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2666      1.00000
     77      -8.2549      1.00000
     78      -8.2400      1.00000
     79      -7.9256      1.00000
     80      -7.7363      1.00000
     81      -7.3794      1.00000
     82      -7.3503      1.00000
     83      -7.3127      1.00000
     84      -7.2172      1.00000
     85      -7.1590      1.00000
     86      -7.0681      1.00000
     87      -6.9603      1.00000
     88      -6.9073      1.00000
     89      -6.6140      1.00000
     90      -6.5568      1.00000
     91      -6.2718      1.00000
     92      -5.9955      1.00000
     93      -5.9591      1.00000
     94      -5.6742      1.00000
     95      -5.6475      1.00000
     96      -5.3857      1.00000
     97      -5.3154      1.00000
     98      -5.2932      1.00000
     99      -5.2125      1.00000
    100      -5.2004      1.00000
    101      -4.5028      1.00000
    102      -4.3313      1.00000
    103      -3.9949      1.00000
    104      -3.8844      1.00000
    105      -3.7874      1.00000
    106      -3.4376      1.00000
    107      -2.0336      0.00000
    108      -1.8650      0.00000
    109      -1.2172      0.00000
    110      -1.1863      0.00000
    111      -1.0366      0.00000
    112      -0.7732      0.00000
    113      -0.6791      0.00000
    114      -0.6608      0.00000
    115      -0.6103      0.00000
    116      -0.1038      0.00000
    117       0.2217      0.00000
    118       0.2381      0.00000
    119       0.7732      0.00000
    120       0.9863      0.00000
    121       1.0741      0.00000
    122       1.2407      0.00000
    123       1.2507      0.00000
    124       1.3422      0.00000
    125       1.5802      0.00000
    126       1.5845      0.00000
    127       1.7159      0.00000
    128       1.7962      0.00000
    129       1.9514      0.00000
    130       1.9778      0.00000
    131       2.0657      0.00000
    132       2.2775      0.00000
    133       2.3427      0.00000
    134       2.4266      0.00000
    135       2.5483      0.00000
    136       2.6335      0.00000
    137       2.7510      0.00000
    138       2.8144      0.00000
    139       2.8504      0.00000
    140       2.8782      0.00000
    141       3.0564      0.00000
    142       3.1073      0.00000
    143       3.1632      0.00000
    144       3.2305      0.00000
    145       3.3750      0.00000
    146       3.4197      0.00000
    147       3.5171      0.00000
    148       3.5661      0.00000
    149       3.5924      0.00000
    150       3.6189      0.00000
    151       3.6595      0.00000
    152       3.7399      0.00000
    153       3.7523      0.00000
    154       3.7761      0.00000
    155       3.8012      0.00000
    156       3.8778      0.00000
    157       4.0254      0.00000
    158       4.0982      0.00000
    159       4.1808      0.00000
    160       4.2211      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0414   -7.3893    4.1995   -1.2760   -0.2392   17.5951    0.1449   -0.5295    0.6316   -0.4631
x    -3.0928   -0.0374   -0.0631    0.0619   -0.0091   -2.9771   -0.0115   -0.0069    0.0048    0.0016
x    -0.0964    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0414    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0089    0.0383    0.0380
y    -0.0451   -3.2458   -0.5411   -0.1622   -1.1878   -0.6058
z   204.0414    1.1019   -0.3119    0.0495    0.0190    0.0866   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1129    0.0003    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8135
z    -0.2192    0.2310   -0.0545    0.0615   -0.0901    0.0009
 total charge-density along one line
x   212.0000  -10.2199    6.1480   -2.0861   -0.4750   19.5126   -0.9988    0.4778   -0.0477   -0.1239
x    -2.6460   -0.0277   -0.0609    0.0847   -0.0532   -2.2243   -0.0255   -0.0023    0.0050    0.0021
x    -0.0895    0.0058   -0.0049    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2199    6.1480   -2.0861   -0.4750   19.5126   -0.9988    0.4778   -0.0477   -0.1239
y    -2.6460   -0.0277   -0.0609    0.0847   -0.0532   -2.2243   -0.0255   -0.0023    0.0050    0.0021
y    -0.0895    0.0058   -0.0049    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3246  188.9000 -170.1584  154.0771 -140.5334  126.8417 -111.4682   95.1167  -79.3105
z    64.9295  -52.1297   41.0258  -31.9531   25.0754  -20.0039   15.9714  -12.3726    9.0955   -6.3676
z     4.3651   -2.9975    2.0123   -1.2207    0.5910   -0.1600   -0.0896    0.2452   -0.3845    0.5109
z    -0.5763    0.5534   -0.4734    0.3958   -0.3539    0.3356   -0.3105    0.2655   -0.2128    0.1706
z    -0.1440    0.1249   -0.1046    0.0831   -0.0654    0.0546   -0.0485    0.0427   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0002   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.628   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.131   0.000  -0.033  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.587  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.628   0.000   0.000  -0.190   0.000   0.376   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.587   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.036   0.000   0.262   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.031   8.933
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.647
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.868  89.426   8.031 142.324
 


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


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


    CHARGE:  VPU time   90.34: CPU time   45.51
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  362.66: CPU time  181.72
    STRESS:  VPU time 1091.20: CPU time  548.24
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force =-0.8154455E-07[-0.927E-06, 0.764E-06]  d Energy = 0.1594240E-04-0.160E-04
 d Force = 0.1858372E-01[ 0.186E-01, 0.186E-01]  d Ewald  = 0.8264617E+00-0.808E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726747 eV

  energy  without entropy=     -471.726747  energy(sigma->0) =     -471.726747
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40820.42  40778.63 -47518.11    -36.19      0.00      0.00
  Hartree  40245.65  40229.43 -39503.61    -14.05      0.00      0.00
  E(xc)     -779.43   -779.72   -807.37     -0.25      0.00      0.00
  Local   -83350.14 -83301.07  84336.58     42.50      0.00      0.00
  n-local   -216.84   -215.72   -203.52      0.70      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.43   3176.14   3583.92      3.51      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.19     -0.07     -0.37      0.11      0.00      0.00
  in kB       -0.11     -0.04     -0.22      0.06      0.00      0.00
  external pressure =       -0.13 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345761442  0.000496359  0.000000000     0.080997579  0.046759700  0.000000000
    -6.172457502 10.691987206  0.000000000    -0.000003760  0.093525812  0.000000000
     0.000000000  0.000000000 19.984743394     0.000000000  0.000000000  0.050038171

  length of vectors
    12.345761452 12.345761298 19.984743394     0.093525811  0.093525813  0.050038171


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.385E-05 -.492E-04 -.951E+03   0.420E-05 -.275E-04 0.960E+03   -.127E-20 -.851E-21 -.867E+01   -.123E-07 0.835E-08 -.208E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   -.876E-04 0.498E-04 -.726E-04
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   0.876E-04 -.498E-04 -.726E-04
   -.207E+01 0.120E+01 0.139E+02   0.208E+01 -.120E+01 -.139E+02   0.112E-02 -.648E-03 -.292E-01   -.327E-03 0.186E-03 -.381E-02
   0.609E+01 0.685E+01 0.166E+02   -.608E+01 -.687E+01 -.166E+02   0.482E-02 0.183E-01 -.364E-01   -.297E-02 0.912E-03 -.337E-02
   0.111E+02 0.504E+01 0.164E+02   -.111E+02 -.505E+01 -.164E+02   0.202E-01 0.733E-02 -.517E-01   -.681E-03 -.121E-02 0.113E-02
   0.464E+01 -.872E+00 0.152E+02   -.465E+01 0.878E+00 -.152E+02   0.181E-01 -.100E-01 -.111E-01   -.135E-02 0.531E-03 0.351E-02
   -.306E+01 -.249E+01 0.137E+02   0.306E+01 0.248E+01 -.137E+02   0.135E-02 0.545E-03 -.494E-02   -.325E-03 0.136E-02 0.144E-02
   0.624E+00 0.390E+01 0.137E+02   -.620E+00 -.389E+01 -.137E+02   0.204E-03 -.144E-02 -.494E-02   -.135E-02 -.404E-03 0.144E-02
   0.241E+01 0.187E+02 0.224E+02   -.241E+01 -.188E+02 -.224E+02   -.142E-02 0.104E+00 -.510E-01   -.624E-03 -.159E-02 -.127E-02
   0.225E+02 0.213E+02 0.406E+02   -.226E+02 -.215E+02 -.406E+02   0.745E-01 0.261E+00 -.628E-01   0.461E-03 -.151E-02 -.156E-02
   0.265E+02 -.341E+01 0.260E+02   -.268E+02 0.352E+01 -.259E+02   0.266E+00 -.107E+00 -.426E-01   -.129E-02 0.702E-03 -.470E-03
   0.902E+01 -.521E+01 0.156E+02   -.906E+01 0.523E+01 -.156E+02   0.453E-01 -.261E-01 -.137E-01   -.131E-02 0.749E-03 0.149E-02
   0.307E+01 -.358E+01 0.152E+02   -.308E+01 0.359E+01 -.152E+02   0.177E-01 -.107E-01 -.111E-01   -.114E-02 0.899E-03 0.351E-02
   -.588E+01 0.135E+02 0.178E+02   0.589E+01 -.136E+02 -.177E+02   -.235E-02 0.708E-01 -.384E-01   -.192E-03 -.551E-04 0.154E-02
   -.118E+02 0.359E+02 0.466E+02   0.118E+02 -.365E+02 -.469E+02   -.306E-01 0.603E+00 0.296E+00   -.135E-03 0.491E-03 0.279E-03
   0.234E+02 -.135E+02 0.910E+02   -.241E+02 0.139E+02 -.930E+02   0.630E+00 -.364E+00 0.201E+01   -.468E-03 0.267E-03 0.240E-02
   0.162E+02 -.213E+02 0.260E+02   -.164E+02 0.214E+02 -.259E+02   0.226E+00 -.177E+00 -.426E-01   -.126E-02 0.762E-03 -.475E-03
   0.118E+01 -.121E+02 0.164E+02   -.119E+01 0.122E+02 -.164E+02   0.376E-02 -.212E-01 -.517E-01   0.706E-03 0.119E-02 0.113E-02
   -.411E+01 0.190E+01 0.139E+02   0.411E+01 -.191E+01 -.139E+02   0.538E-03 0.994E-02 -.385E-01   -.317E-04 0.718E-04 0.293E-02
   -.191E+02 0.110E+02 0.229E+02   0.191E+02 -.110E+02 -.228E+02   -.508E-01 0.293E-01 -.358E-01   -.853E-04 0.530E-04 -.914E-03
   -.370E+02 -.774E+01 0.466E+02   0.375E+02 0.802E+01 -.469E+02   -.538E+00 -.275E+00 0.296E+00   -.490E-03 -.129E-03 0.282E-03
   -.715E+01 -.301E+02 0.406E+02   0.733E+01 0.303E+02 -.406E+02   -.189E+00 -.195E+00 -.628E-01   0.154E-02 0.353E-03 -.156E-02
   -.288E+01 -.870E+01 0.166E+02   0.291E+01 0.870E+01 -.166E+02   -.134E-01 -.133E-01 -.364E-01   -.227E-02 0.212E-02 -.337E-02
   0.135E+01 -.780E+00 0.132E+02   -.135E+01 0.778E+00 -.132E+02   0.290E-02 -.167E-02 -.241E-01   -.109E-02 0.633E-03 -.108E-02
   -.370E+01 0.260E+01 0.139E+02   0.371E+01 -.260E+01 -.139E+02   -.834E-02 -.544E-02 -.385E-01   -.762E-04 -.375E-05 0.293E-02
   -.146E+02 -.165E+01 0.178E+02   0.147E+02 0.169E+01 -.177E+02   -.625E-01 -.334E-01 -.384E-01   -.462E-04 0.192E-03 0.154E-02
   -.150E+02 -.115E+02 0.224E+02   0.151E+02 0.115E+02 -.224E+02   -.905E-01 -.506E-01 -.510E-01   0.107E-02 0.133E-02 -.126E-02
   0.288E+01 0.870E+01 0.166E+02   -.291E+01 -.870E+01 -.166E+02   0.134E-01 0.133E-01 -.364E-01   0.227E-02 -.212E-02 -.337E-02
   0.150E+02 0.115E+02 0.224E+02   -.151E+02 -.115E+02 -.224E+02   0.905E-01 0.506E-01 -.510E-01   -.107E-02 -.133E-02 -.126E-02
   0.146E+02 0.165E+01 0.178E+02   -.147E+02 -.169E+01 -.177E+02   0.625E-01 0.334E-01 -.384E-01   0.462E-04 -.192E-03 0.154E-02
   0.370E+01 -.260E+01 0.139E+02   -.371E+01 0.260E+01 -.139E+02   0.834E-02 0.544E-02 -.385E-01   0.762E-04 0.376E-05 0.293E-02
   -.135E+01 0.780E+00 0.132E+02   0.135E+01 -.778E+00 -.132E+02   -.290E-02 0.167E-02 -.241E-01   0.109E-02 -.633E-03 -.108E-02
   -.118E+01 0.121E+02 0.164E+02   0.119E+01 -.122E+02 -.164E+02   -.376E-02 0.212E-01 -.517E-01   -.706E-03 -.119E-02 0.113E-02
   0.715E+01 0.301E+02 0.406E+02   -.733E+01 -.303E+02 -.406E+02   0.189E+00 0.195E+00 -.628E-01   -.154E-02 -.353E-03 -.156E-02
   0.370E+02 0.774E+01 0.466E+02   -.375E+02 -.802E+01 -.469E+02   0.538E+00 0.275E+00 0.296E+00   0.490E-03 0.129E-03 0.282E-03
   0.191E+02 -.110E+02 0.229E+02   -.191E+02 0.110E+02 -.228E+02   0.508E-01 -.293E-01 -.358E-01   0.853E-04 -.530E-04 -.914E-03
   0.410E+01 -.190E+01 0.139E+02   -.411E+01 0.191E+01 -.139E+02   -.538E-03 -.994E-02 -.385E-01   0.317E-04 -.718E-04 0.293E-02
   -.307E+01 0.358E+01 0.152E+02   0.308E+01 -.358E+01 -.152E+02   -.177E-01 0.107E-01 -.111E-01   0.114E-02 -.899E-03 0.351E-02
   -.162E+02 0.213E+02 0.260E+02   0.164E+02 -.214E+02 -.259E+02   -.226E+00 0.177E+00 -.426E-01   0.126E-02 -.762E-03 -.475E-03
   -.234E+02 0.135E+02 0.910E+02   0.241E+02 -.139E+02 -.930E+02   -.630E+00 0.364E+00 0.201E+01   0.468E-03 -.267E-03 0.240E-02
   0.118E+02 -.359E+02 0.466E+02   -.118E+02 0.365E+02 -.469E+02   0.306E-01 -.603E+00 0.296E+00   0.135E-03 -.491E-03 0.279E-03
   0.588E+01 -.135E+02 0.178E+02   -.589E+01 0.136E+02 -.177E+02   0.235E-02 -.708E-01 -.384E-01   0.192E-03 0.551E-04 0.154E-02
   -.624E+00 -.390E+01 0.137E+02   0.620E+00 0.389E+01 -.137E+02   -.204E-03 0.144E-02 -.494E-02   0.135E-02 0.404E-03 0.144E-02
   -.902E+01 0.521E+01 0.156E+02   0.906E+01 -.523E+01 -.156E+02   -.453E-01 0.261E-01 -.137E-01   0.131E-02 -.749E-03 0.149E-02
   -.265E+02 0.341E+01 0.260E+02   0.268E+02 -.352E+01 -.259E+02   -.266E+00 0.107E+00 -.426E-01   0.129E-02 -.702E-03 -.470E-03
   -.225E+02 -.213E+02 0.406E+02   0.226E+02 0.215E+02 -.406E+02   -.745E-01 -.261E+00 -.628E-01   -.461E-03 0.151E-02 -.156E-02
   -.241E+01 -.187E+02 0.224E+02   0.241E+01 0.188E+02 -.224E+02   0.142E-02 -.104E+00 -.510E-01   0.624E-03 0.159E-02 -.127E-02
   0.207E+01 -.120E+01 0.139E+02   -.208E+01 0.120E+01 -.139E+02   -.112E-02 0.648E-03 -.292E-01   0.327E-03 -.186E-03 -.381E-02
   0.306E+01 0.249E+01 0.137E+02   -.306E+01 -.248E+01 -.137E+02   -.135E-02 -.545E-03 -.494E-02   0.325E-03 -.136E-02 0.144E-02
   -.464E+01 0.871E+00 0.152E+02   0.465E+01 -.878E+00 -.152E+02   -.181E-01 0.100E-01 -.111E-01   0.135E-02 -.531E-03 0.351E-02
   -.111E+02 -.504E+01 0.164E+02   0.111E+02 0.505E+01 -.164E+02   -.202E-01 -.733E-02 -.517E-01   0.681E-03 0.121E-02 0.113E-02
   -.609E+01 -.685E+01 0.166E+02   0.608E+01 0.687E+01 -.166E+02   -.482E-02 -.183E-01 -.364E-01   0.297E-02 -.912E-03 -.337E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.298E-03 0.101E+02   0.149E-12 0.115E-12 -.512E-12   -.132E-15 0.257E-15 -.101E+02   -.229E-07 0.167E-07 0.106E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85210      6.05901     12.33845         0.000000      0.000000      0.006869
      1.07793      6.50597     13.60062         0.000361     -0.000209     -0.005771
      2.62627      5.61204     13.60062        -0.000361      0.000209     -0.005771
      0.00003     -0.00002      9.97858         0.007507     -0.004334     -0.005902
     -1.23495      2.13695      9.97922         0.010980     -0.003443     -0.005400
     -2.47012      4.27656      9.98582        -0.000778      0.001789      0.001443
     -3.70403      6.41537      9.98340         0.005334     -0.003034      0.005363
     -4.93783      8.55364      9.98072         0.000584     -0.002608      0.002930
      2.46917     -0.00004      9.98072         0.002550      0.000799      0.002930
      1.23393      2.13663      9.98391        -0.000876      0.005633     -0.005651
     -0.00263      4.27092      9.99695        -0.009126      0.007903      0.000350
     -1.23855      6.41589     10.00898         0.001153      0.001127     -0.003912
     -2.46931      8.55397      9.98681         0.004041     -0.002333      0.001213
      4.93787      0.00059      9.98340         0.005295     -0.003103      0.005363
      3.70433      2.13669      9.99149        -0.000835     -0.001495      0.004033
      2.47006      4.26848     10.03076        -0.005323      0.000154     -0.000186
      1.22904      6.41874     10.04130        -0.002735      0.001579      0.002534
     -0.00230      8.55715     10.00898        -0.000400     -0.001562     -0.003912
      7.40709      0.00140      9.98582        -0.001938     -0.000221      0.001443
      6.17276      2.13869      9.98312         0.001649      0.000261      0.003225
      4.93924      4.27665     10.00041        -0.000239      0.000138      0.000828
      3.71172      6.41911     10.03076        -0.002794      0.004533     -0.000186
      2.47327      8.55930      9.99695        -0.011408      0.003952      0.000350
      9.87764      0.00152      9.97922         0.008472     -0.007788     -0.005400
      8.64197      2.13888      9.97906         0.005087     -0.002937     -0.000726
      7.40753      4.27737      9.98312         0.000599     -0.001559      0.003225
      6.17505      6.41609      9.99149         0.000877      0.001471      0.004033
      4.93990      8.55555      9.98391        -0.005316     -0.002058     -0.005651
     -0.00097      1.42451      9.97922        -0.008472      0.007788     -0.005400
     -1.23569      3.56246      9.98391         0.005316      0.002058     -0.005651
     -2.47084      5.70192      9.99149        -0.000877     -0.001471      0.004033
     -3.70332      7.84065      9.98312        -0.000599      0.001559      0.003225
     -4.93776      9.97914      9.97906        -0.005087      0.002937     -0.000726
      2.46958      1.42463      9.98582         0.001938      0.000221      0.001443
      1.23094      3.55872      9.99695         0.011408     -0.003952      0.000350
     -0.00751      5.69891     10.03076         0.002794     -0.004533     -0.000186
     -1.23503      7.84137     10.00041         0.000239     -0.000138      0.000828
     -2.46855      9.97932      9.98312        -0.001649     -0.000261      0.003225
      4.93879      1.42544      9.98340        -0.005295      0.003103      0.005363
      3.70651      3.56086     10.00898         0.000400      0.001562     -0.003912
      2.47517      5.69928     10.04130         0.002735     -0.001579      0.002534
      1.23415      7.84954     10.03076         0.005323     -0.000154     -0.000186
     -0.00013      9.98133      9.99149         0.000835      0.001495      0.004033
      7.40749      1.42607      9.98072        -0.002550     -0.000799      0.002930
      6.17351      3.56404      9.98681        -0.004041      0.002333      0.001213
      4.94276      5.70212     10.00898        -0.001153     -0.001127     -0.003912
      3.70683      7.84710      9.99695         0.009126     -0.007903      0.000350
      2.47028      9.98139      9.98391         0.000876     -0.005633     -0.005651
      9.87664      1.42605      9.97858        -0.007507      0.004334     -0.005902
      8.64204      3.56437      9.98072        -0.000584      0.002608      0.002930
      7.40824      5.70265      9.98340        -0.005334      0.003034      0.005363
      6.17433      7.84145      9.98582         0.000778     -0.001789      0.001443
      4.93915      9.98107      9.97922        -0.010980      0.003443     -0.005400
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000298      0.008722


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




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


    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  150.89: CPU time   75.52
     LOOP+:  VPU time 4406.23: CPU time 2250.86


----------------------------------------- Iteration   21(   1)  ---------------------------------------


    POTLOK:  VPU time    7.83: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1408.87: CPU time  720.22
 BZINTS: Fermi energy: -3.206125;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.09: CPU time   45.49
    MIXING:  VPU time    0.12: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1507.26: CPU time  773.83

 eigenvalue-minimisations  :  5672
 total energy-change (2. order) :-0.4717267E+03  (-0.5607207E-04)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9584376 magnetization   -0.0000012

 Broyden mixing:
  rms(total) = 0.69072E-03    rms(broyden)= 0.69035E-03
  rms(prec ) = 0.74816E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34079.96482520
  -1/2 Hartree   DENC   =    -40970.65686479
  -V(xc)+E(xc)   XCENC  =       726.56949194
  PAW double counting   =      4093.78704071    -4132.11673213
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.71435966
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72674514 eV

  energy without entropy =     -471.72674514  energy(sigma->0) =     -471.72674514


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




----------------------------------------- Iteration   21(   2)  ---------------------------------------


    POTLOK:  VPU time    7.69: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1110.64: CPU time  567.06
 BZINTS: Fermi energy: -3.206469;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1118.68: CPU time  575.07

 eigenvalue-minimisations  :  4008
 total energy-change (2. order) : 0.2035764E-05  (-0.1725332E-05)
 number of electron  212.0000014 magnetization    0.0000000
 augmentation part     7.9584376 magnetization   -0.0000012

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34079.96482520
  -1/2 Hartree   DENC   =    -40970.61583195
  -V(xc)+E(xc)   XCENC  =       726.56813421
  PAW double counting   =      4093.73660763    -4132.06578560
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.75454620
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72674311 eV

  energy without entropy =     -471.72674311  energy(sigma->0) =     -471.72674311


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2069       2 -39.5406       3 -39.5406       4 -58.3143       5 -58.3183
       6 -58.3210       7 -58.3158       8 -58.3159       9 -58.3159      10 -58.3221
      11 -58.3882      12 -58.3526      13 -58.3241      14 -58.3158      15 -58.3255
      16 -58.5414      17 -58.7277      18 -58.3526      19 -58.3210      20 -58.3209
      21 -58.3590      22 -58.5414      23 -58.3882      24 -58.3183      25 -58.3237
      26 -58.3209      27 -58.3255      28 -58.3221      29 -58.3182      30 -58.3220
      31 -58.3254      32 -58.3208      33 -58.3236      34 -58.3209      35 -58.3881
      36 -58.5413      37 -58.3590      38 -58.3208      39 -58.3156      40 -58.3525
      41 -58.7276      42 -58.5414      43 -58.3254      44 -58.3157      45 -58.3240
      46 -58.3525      47 -58.3881      48 -58.3220      49 -58.3142      50 -58.3157
      51 -58.3156      52 -58.3209      53 -58.3182
 
 
 
 E-fermi :  -3.2065     XC(G=0):  -2.3383     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4260      1.00000
      2     -21.6009      1.00000
      3     -21.4814      1.00000
      4     -21.4723      1.00000
      5     -21.4415      1.00000
      6     -21.4409      1.00000
      7     -21.4310      1.00000
      8     -19.7061      1.00000
      9     -19.6524      1.00000
     10     -19.6296      1.00000
     11     -19.6188      1.00000
     12     -19.6135      1.00000
     13     -19.6123      1.00000
     14     -18.7893      1.00000
     15     -18.7545      1.00000
     16     -18.7351      1.00000
     17     -18.7256      1.00000
     18     -18.7186      1.00000
     19     -18.7132      1.00000
     20     -16.6340      1.00000
     21     -16.6088      1.00000
     22     -16.5850      1.00000
     23     -16.5811      1.00000
     24     -16.5549      1.00000
     25     -16.5532      1.00000
     26     -15.6140      1.00000
     27     -15.6019      1.00000
     28     -15.5984      1.00000
     29     -15.5653      1.00000
     30     -15.5632      1.00000
     31     -15.5620      1.00000
     32     -14.2595      1.00000
     33     -14.2503      1.00000
     34     -14.2403      1.00000
     35     -14.2358      1.00000
     36     -14.2226      1.00000
     37     -14.2200      1.00000
     38     -11.9049      1.00000
     39     -11.8787      1.00000
     40     -11.8678      1.00000
     41     -11.8650      1.00000
     42     -11.8451      1.00000
     43     -11.8450      1.00000
     44     -11.7707      1.00000
     45     -11.7684      1.00000
     46     -11.7360      1.00000
     47     -11.7293      1.00000
     48     -11.7253      1.00000
     49     -11.7227      1.00000
     50     -10.6723      1.00000
     51     -10.3880      1.00000
     52     -10.3837      1.00000
     53     -10.3766      1.00000
     54     -10.3685      1.00000
     55     -10.3560      1.00000
     56     -10.3537      1.00000
     57      -9.9006      1.00000
     58      -9.4484      1.00000
     59      -9.4051      1.00000
     60      -9.3630      1.00000
     61      -9.3623      1.00000
     62      -9.3548      1.00000
     63      -9.1418      1.00000
     64      -9.1212      1.00000
     65      -9.1207      1.00000
     66      -9.0851      1.00000
     67      -9.0722      1.00000
     68      -9.0713      1.00000
     69      -9.0713      1.00000
     70      -9.0646      1.00000
     71      -9.0639      1.00000
     72      -9.0387      1.00000
     73      -9.0293      1.00000
     74      -9.0259      1.00000
     75      -8.1370      1.00000
     76      -7.7315      1.00000
     77      -7.4690      1.00000
     78      -7.4666      1.00000
     79      -7.4541      1.00000
     80      -7.4349      1.00000
     81      -7.4244      1.00000
     82      -7.4074      1.00000
     83      -7.3113      1.00000
     84      -7.2702      1.00000
     85      -7.2572      1.00000
     86      -7.2486      1.00000
     87      -7.1567      1.00000
     88      -7.0455      1.00000
     89      -6.4467      1.00000
     90      -6.4148      1.00000
     91      -6.3996      1.00000
     92      -6.3639      1.00000
     93      -6.3531      1.00000
     94      -6.3401      1.00000
     95      -5.9591      1.00000
     96      -5.9581      1.00000
     97      -4.7956      1.00000
     98      -4.5397      1.00000
     99      -4.4811      1.00000
    100      -4.4707      1.00000
    101      -4.3829      1.00000
    102      -4.3822      1.00000
    103      -4.2656      1.00000
    104      -4.1843      1.00000
    105      -3.7340      1.00000
    106      -3.4701      1.00000
    107      -1.8599      0.00000
    108      -1.6735      0.00000
    109      -1.6247      0.00000
    110      -1.5924      0.00000
    111      -1.5767      0.00000
    112      -1.5760      0.00000
    113      -0.4284      0.00000
    114       0.1418      0.00000
    115       0.1919      0.00000
    116       0.2548      0.00000
    117       0.2667      0.00000
    118       0.2702      0.00000
    119       0.4743      0.00000
    120       0.5515      0.00000
    121       1.2515      0.00000
    122       1.2885      0.00000
    123       1.5384      0.00000
    124       1.7757      0.00000
    125       1.7783      0.00000
    126       1.7791      0.00000
    127       1.7855      0.00000
    128       1.8313      0.00000
    129       1.9576      0.00000
    130       1.9704      0.00000
    131       1.9738      0.00000
    132       1.9880      0.00000
    133       1.9952      0.00000
    134       2.0813      0.00000
    135       2.2573      0.00000
    136       2.3390      0.00000
    137       2.6252      0.00000
    138       2.6276      0.00000
    139       2.6558      0.00000
    140       2.7276      0.00000
    141       2.9456      0.00000
    142       3.0369      0.00000
    143       3.0518      0.00000
    144       3.0807      0.00000
    145       3.0834      0.00000
    146       3.0861      0.00000
    147       3.1044      0.00000
    148       3.2796      0.00000
    149       3.4519      0.00000
    150       3.5195      0.00000
    151       3.8243      0.00000
    152       3.9654      0.00000
    153       3.9787      0.00000
    154       3.9819      0.00000
    155       3.9881      0.00000
    156       4.0053      0.00000
    157       4.1935      0.00000
    158       4.2649      0.00000
    159       4.2771      0.00000
    160       4.2862      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3893      1.00000
      2     -21.8300      1.00000
      3     -21.6384      1.00000
      4     -21.6108      1.00000
      5     -21.2743      1.00000
      6     -21.2357      1.00000
      7     -21.0574      1.00000
      8     -20.1673      1.00000
      9     -20.1298      1.00000
     10     -19.6086      1.00000
     11     -19.5976      1.00000
     12     -19.4173      1.00000
     13     -19.0892      1.00000
     14     -19.0602      1.00000
     15     -19.0493      1.00000
     16     -19.0419      1.00000
     17     -18.3608      1.00000
     18     -18.3525      1.00000
     19     -18.0191      1.00000
     20     -17.0685      1.00000
     21     -17.0304      1.00000
     22     -16.9442      1.00000
     23     -16.9406      1.00000
     24     -16.4679      1.00000
     25     -16.4636      1.00000
     26     -15.6139      1.00000
     27     -15.6075      1.00000
     28     -15.2525      1.00000
     29     -15.2435      1.00000
     30     -15.1846      1.00000
     31     -15.0981      1.00000
     32     -15.0715      1.00000
     33     -14.6987      1.00000
     34     -14.6966      1.00000
     35     -13.7266      1.00000
     36     -13.7240      1.00000
     37     -13.2358      1.00000
     38     -12.6140      1.00000
     39     -12.5844      1.00000
     40     -12.4543      1.00000
     41     -12.4507      1.00000
     42     -12.1093      1.00000
     43     -12.1047      1.00000
     44     -11.7171      1.00000
     45     -11.6866      1.00000
     46     -11.2350      1.00000
     47     -11.2263      1.00000
     48     -11.0177      1.00000
     49     -11.0099      1.00000
     50     -10.9265      1.00000
     51     -10.9054      1.00000
     52     -10.6267      1.00000
     53     -10.1551      1.00000
     54     -10.1511      1.00000
     55     -10.0921      1.00000
     56      -9.9964      1.00000
     57      -9.7027      1.00000
     58      -9.6950      1.00000
     59      -9.6561      1.00000
     60      -9.5915      1.00000
     61      -9.5768      1.00000
     62      -9.5587      1.00000
     63      -9.3070      1.00000
     64      -9.3035      1.00000
     65      -9.2737      1.00000
     66      -9.2364      1.00000
     67      -9.1363      1.00000
     68      -9.1155      1.00000
     69      -9.1115      1.00000
     70      -8.9400      1.00000
     71      -8.8723      1.00000
     72      -8.6047      1.00000
     73      -8.5910      1.00000
     74      -8.2392      1.00000
     75      -8.1009      1.00000
     76      -7.9090      1.00000
     77      -7.8638      1.00000
     78      -7.7718      1.00000
     79      -7.7573      1.00000
     80      -7.6957      1.00000
     81      -7.5530      1.00000
     82      -7.3392      1.00000
     83      -7.3232      1.00000
     84      -7.2053      1.00000
     85      -7.1218      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7041      1.00000
     89      -6.6787      1.00000
     90      -6.6412      1.00000
     91      -6.5971      1.00000
     92      -6.1165      1.00000
     93      -6.0619      1.00000
     94      -6.0309      1.00000
     95      -6.0114      1.00000
     96      -5.7824      1.00000
     97      -4.9678      1.00000
     98      -4.8307      1.00000
     99      -4.7463      1.00000
    100      -4.6787      1.00000
    101      -4.4617      1.00000
    102      -4.1993      1.00000
    103      -4.1705      1.00000
    104      -4.1272      1.00000
    105      -3.7247      1.00000
    106      -3.4800      1.00000
    107      -1.8697      0.00000
    108      -1.8107      0.00000
    109      -1.5239      0.00000
    110      -1.3789      0.00000
    111      -1.3225      0.00000
    112      -1.2890      0.00000
    113      -0.7201      0.00000
    114      -0.3766      0.00000
    115      -0.2517      0.00000
    116       0.0346      0.00000
    117       0.5569      0.00000
    118       0.6972      0.00000
    119       0.7456      0.00000
    120       1.0463      0.00000
    121       1.0988      0.00000
    122       1.1512      0.00000
    123       1.2263      0.00000
    124       1.3819      0.00000
    125       1.5245      0.00000
    126       1.5900      0.00000
    127       1.7176      0.00000
    128       1.8073      0.00000
    129       1.8563      0.00000
    130       1.8815      0.00000
    131       2.0945      0.00000
    132       2.1938      0.00000
    133       2.2422      0.00000
    134       2.3142      0.00000
    135       2.5209      0.00000
    136       2.6014      0.00000
    137       2.6302      0.00000
    138       2.7842      0.00000
    139       2.7999      0.00000
    140       2.8269      0.00000
    141       2.8468      0.00000
    142       2.9069      0.00000
    143       2.9362      0.00000
    144       3.0949      0.00000
    145       3.1646      0.00000
    146       3.3225      0.00000
    147       3.3700      0.00000
    148       3.4141      0.00000
    149       3.4777      0.00000
    150       3.6203      0.00000
    151       3.6466      0.00000
    152       3.6759      0.00000
    153       3.7201      0.00000
    154       3.9255      0.00000
    155       3.9654      0.00000
    156       4.0221      0.00000
    157       4.0693      0.00000
    158       4.2516      0.00000
    159       4.2622      0.00000
    160       4.2813      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2829      1.00000
      2     -22.0781      1.00000
      3     -21.7167      1.00000
      4     -21.6852      1.00000
      5     -20.9790      1.00000
      6     -20.9393      1.00000
      7     -20.6115      1.00000
      8     -20.5756      1.00000
      9     -20.5694      1.00000
     10     -20.0328      1.00000
     11     -19.5033      1.00000
     12     -19.4917      1.00000
     13     -19.3072      1.00000
     14     -19.3020      1.00000
     15     -18.4473      1.00000
     16     -18.4112      1.00000
     17     -17.9223      1.00000
     18     -17.9132      1.00000
     19     -17.7613      1.00000
     20     -17.7261      1.00000
     21     -17.4361      1.00000
     22     -17.4289      1.00000
     23     -17.3410      1.00000
     24     -16.4630      1.00000
     25     -16.4620      1.00000
     26     -15.9671      1.00000
     27     -15.4142      1.00000
     28     -15.4090      1.00000
     29     -15.0966      1.00000
     30     -15.0933      1.00000
     31     -14.8550      1.00000
     32     -14.8474      1.00000
     33     -14.2902      1.00000
     34     -14.2579      1.00000
     35     -13.4365      1.00000
     36     -13.4045      1.00000
     37     -13.1775      1.00000
     38     -13.1741      1.00000
     39     -12.9818      1.00000
     40     -12.9770      1.00000
     41     -12.6131      1.00000
     42     -12.6099      1.00000
     43     -12.1978      1.00000
     44     -11.5763      1.00000
     45     -11.5430      1.00000
     46     -11.3106      1.00000
     47     -11.2881      1.00000
     48     -11.1421      1.00000
     49     -10.6751      1.00000
     50     -10.6608      1.00000
     51     -10.5488      1.00000
     52     -10.3232      1.00000
     53     -10.3178      1.00000
     54     -10.1705      1.00000
     55     -10.1152      1.00000
     56     -10.1124      1.00000
     57      -9.7978      1.00000
     58      -9.7644      1.00000
     59      -9.7519      1.00000
     60      -9.7002      1.00000
     61      -9.6977      1.00000
     62      -9.6615      1.00000
     63      -9.3545      1.00000
     64      -9.3517      1.00000
     65      -9.3157      1.00000
     66      -9.0403      1.00000
     67      -8.9625      1.00000
     68      -8.9491      1.00000
     69      -8.7986      1.00000
     70      -8.5942      1.00000
     71      -8.5587      1.00000
     72      -8.3973      1.00000
     73      -8.3647      1.00000
     74      -8.3244      1.00000
     75      -8.3066      1.00000
     76      -8.2592      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9087      1.00000
     80      -7.6515      1.00000
     81      -7.5420      1.00000
     82      -7.3864      1.00000
     83      -7.3498      1.00000
     84      -7.2316      1.00000
     85      -7.0982      1.00000
     86      -7.0382      1.00000
     87      -6.9347      1.00000
     88      -6.8463      1.00000
     89      -6.6126      1.00000
     90      -6.5594      1.00000
     91      -6.2699      1.00000
     92      -6.0420      1.00000
     93      -5.9512      1.00000
     94      -5.6617      1.00000
     95      -5.6227      1.00000
     96      -5.4598      1.00000
     97      -5.3186      1.00000
     98      -5.2784      1.00000
     99      -5.2137      1.00000
    100      -5.1945      1.00000
    101      -4.4988      1.00000
    102      -4.2028      1.00000
    103      -4.0552      1.00000
    104      -3.9890      1.00000
    105      -3.6906      1.00000
    106      -3.4901      1.00000
    107      -1.9459      0.00000
    108      -1.8984      0.00000
    109      -1.3370      0.00000
    110      -1.0860      0.00000
    111      -1.0597      0.00000
    112      -0.8012      0.00000
    113      -0.6790      0.00000
    114      -0.6477      0.00000
    115      -0.6083      0.00000
    116      -0.1099      0.00000
    117       0.2143      0.00000
    118       0.3273      0.00000
    119       0.6967      0.00000
    120       0.8872      0.00000
    121       1.1246      0.00000
    122       1.1985      0.00000
    123       1.3292      0.00000
    124       1.4238      0.00000
    125       1.5553      0.00000
    126       1.5769      0.00000
    127       1.6889      0.00000
    128       1.8100      0.00000
    129       1.8845      0.00000
    130       2.0591      0.00000
    131       2.1140      0.00000
    132       2.3154      0.00000
    133       2.3534      0.00000
    134       2.4063      0.00000
    135       2.5552      0.00000
    136       2.6347      0.00000
    137       2.7355      0.00000
    138       2.7440      0.00000
    139       2.8141      0.00000
    140       2.8918      0.00000
    141       3.0544      0.00000
    142       3.0668      0.00000
    143       3.1748      0.00000
    144       3.2712      0.00000
    145       3.3645      0.00000
    146       3.4216      0.00000
    147       3.4433      0.00000
    148       3.5708      0.00000
    149       3.5882      0.00000
    150       3.6129      0.00000
    151       3.6608      0.00000
    152       3.6796      0.00000
    153       3.7812      0.00000
    154       3.7965      0.00000
    155       3.8088      0.00000
    156       3.8932      0.00000
    157       3.9324      0.00000
    158       3.9967      0.00000
    159       4.2247      0.00000
    160       4.2278      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3171      1.00000
      2     -21.9622      1.00000
      3     -21.8946      1.00000
      4     -21.3808      1.00000
      5     -21.3521      1.00000
      6     -20.8391      1.00000
      7     -20.7753      1.00000
      8     -20.6242      1.00000
      9     -20.0776      1.00000
     10     -20.0722      1.00000
     11     -19.7169      1.00000
     12     -19.6927      1.00000
     13     -18.9964      1.00000
     14     -18.9908      1.00000
     15     -18.6409      1.00000
     16     -18.6252      1.00000
     17     -18.4621      1.00000
     18     -17.6745      1.00000
     19     -17.6251      1.00000
     20     -17.6221      1.00000
     21     -17.5810      1.00000
     22     -17.1264      1.00000
     23     -17.1054      1.00000
     24     -16.9627      1.00000
     25     -16.0022      1.00000
     26     -15.9293      1.00000
     27     -15.5858      1.00000
     28     -15.5857      1.00000
     29     -15.2867      1.00000
     30     -14.8641      1.00000
     31     -14.8373      1.00000
     32     -14.5785      1.00000
     33     -14.5377      1.00000
     34     -14.1687      1.00000
     35     -14.1554      1.00000
     36     -13.1485      1.00000
     37     -13.1000      1.00000
     38     -13.0301      1.00000
     39     -13.0197      1.00000
     40     -12.7090      1.00000
     41     -12.7051      1.00000
     42     -12.3413      1.00000
     43     -12.3108      1.00000
     44     -11.6358      1.00000
     45     -11.6226      1.00000
     46     -11.5721      1.00000
     47     -10.9494      1.00000
     48     -10.9167      1.00000
     49     -10.6303      1.00000
     50     -10.6244      1.00000
     51     -10.5454      1.00000
     52     -10.5000      1.00000
     53     -10.4994      1.00000
     54     -10.4402      1.00000
     55     -10.3603      1.00000
     56     -10.0984      1.00000
     57      -9.9038      1.00000
     58      -9.6078      1.00000
     59      -9.5569      1.00000
     60      -9.4529      1.00000
     61      -9.4124      1.00000
     62      -9.4046      1.00000
     63      -9.3775      1.00000
     64      -9.3773      1.00000
     65      -9.2864      1.00000
     66      -9.1685      1.00000
     67      -9.1436      1.00000
     68      -9.1147      1.00000
     69      -8.8645      1.00000
     70      -8.8576      1.00000
     71      -8.8150      1.00000
     72      -8.5972      1.00000
     73      -8.4798      1.00000
     74      -8.1992      1.00000
     75      -8.1635      1.00000
     76      -8.0128      1.00000
     77      -7.9569      1.00000
     78      -7.8508      1.00000
     79      -7.8405      1.00000
     80      -7.7066      1.00000
     81      -7.6964      1.00000
     82      -7.6248      1.00000
     83      -7.4452      1.00000
     84      -7.3052      1.00000
     85      -7.2465      1.00000
     86      -6.9068      1.00000
     87      -6.8928      1.00000
     88      -6.5889      1.00000
     89      -6.5505      1.00000
     90      -6.4072      1.00000
     91      -6.2536      1.00000
     92      -6.2326      1.00000
     93      -6.2053      1.00000
     94      -6.0220      1.00000
     95      -5.5483      1.00000
     96      -5.4875      1.00000
     97      -5.3478      1.00000
     98      -5.2197      1.00000
     99      -4.9795      1.00000
    100      -4.7280      1.00000
    101      -4.6767      1.00000
    102      -4.3830      1.00000
    103      -4.1982      1.00000
    104      -3.8640      1.00000
    105      -3.5462      1.00000
    106      -3.5014      1.00000
    107      -2.2577      0.00000
    108      -1.4542      0.00000
    109      -1.3736      0.00000
    110      -1.2424      0.00000
    111      -1.0978      0.00000
    112      -0.9459      0.00000
    113      -0.8649      0.00000
    114      -0.8046      0.00000
    115      -0.1414      0.00000
    116       0.1077      0.00000
    117       0.2400      0.00000
    118       0.3762      0.00000
    119       0.6548      0.00000
    120       0.8338      0.00000
    121       0.9360      0.00000
    122       1.0650      0.00000
    123       1.2373      0.00000
    124       1.4449      0.00000
    125       1.5635      0.00000
    126       1.7660      0.00000
    127       1.7922      0.00000
    128       1.8695      0.00000
    129       1.9807      0.00000
    130       2.0399      0.00000
    131       2.1848      0.00000
    132       2.1862      0.00000
    133       2.4194      0.00000
    134       2.4431      0.00000
    135       2.5171      0.00000
    136       2.6038      0.00000
    137       2.6352      0.00000
    138       2.7012      0.00000
    139       2.7896      0.00000
    140       2.8461      0.00000
    141       2.9612      0.00000
    142       3.0934      0.00000
    143       3.1966      0.00000
    144       3.2091      0.00000
    145       3.2492      0.00000
    146       3.3305      0.00000
    147       3.3450      0.00000
    148       3.4746      0.00000
    149       3.5110      0.00000
    150       3.6978      0.00000
    151       3.7181      0.00000
    152       3.7274      0.00000
    153       3.8632      0.00000
    154       3.9109      0.00000
    155       3.9573      0.00000
    156       3.9820      0.00000
    157       4.0054      0.00000
    158       4.0350      0.00000
    159       4.0592      0.00000
    160       4.0744      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2091      1.00000
      2     -22.1184      1.00000
      3     -21.9573      1.00000
      4     -21.4046      1.00000
      5     -21.0496      1.00000
      6     -21.0143      1.00000
      7     -20.5003      1.00000
      8     -20.4616      1.00000
      9     -20.2952      1.00000
     10     -20.2762      1.00000
     11     -19.9573      1.00000
     12     -19.8927      1.00000
     13     -18.8821      1.00000
     14     -18.8146      1.00000
     15     -18.3524      1.00000
     16     -18.3069      1.00000
     17     -18.1533      1.00000
     18     -18.1365      1.00000
     19     -17.8266      1.00000
     20     -17.7895      1.00000
     21     -17.2518      1.00000
     22     -17.2422      1.00000
     23     -17.1650      1.00000
     24     -17.1334      1.00000
     25     -16.1102      1.00000
     26     -15.8855      1.00000
     27     -15.8704      1.00000
     28     -15.8347      1.00000
     29     -15.2366      1.00000
     30     -14.5552      1.00000
     31     -14.5277      1.00000
     32     -14.2804      1.00000
     33     -13.9638      1.00000
     34     -13.9567      1.00000
     35     -13.8205      1.00000
     36     -13.8051      1.00000
     37     -13.6147      1.00000
     38     -13.5712      1.00000
     39     -13.3702      1.00000
     40     -12.6347      1.00000
     41     -12.1810      1.00000
     42     -12.1334      1.00000
     43     -12.0720      1.00000
     44     -12.0204      1.00000
     45     -11.6697      1.00000
     46     -11.6565      1.00000
     47     -11.1389      1.00000
     48     -11.1190      1.00000
     49     -10.7947      1.00000
     50     -10.7317      1.00000
     51     -10.5230      1.00000
     52     -10.2085      1.00000
     53     -10.2058      1.00000
     54     -10.1651      1.00000
     55     -10.0179      1.00000
     56     -10.0046      1.00000
     57      -9.9910      1.00000
     58      -9.8017      1.00000
     59      -9.7979      1.00000
     60      -9.7628      1.00000
     61      -9.7582      1.00000
     62      -9.4551      1.00000
     63      -9.4162      1.00000
     64      -9.0792      1.00000
     65      -9.0727      1.00000
     66      -9.0419      1.00000
     67      -8.9553      1.00000
     68      -8.8768      1.00000
     69      -8.7124      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5435      1.00000
     73      -8.4989      1.00000
     74      -8.4632      1.00000
     75      -8.4539      1.00000
     76      -8.2588      1.00000
     77      -8.1258      1.00000
     78      -8.0427      1.00000
     79      -7.9162      1.00000
     80      -7.8618      1.00000
     81      -7.6169      1.00000
     82      -7.5483      1.00000
     83      -7.4945      1.00000
     84      -7.2607      1.00000
     85      -6.9951      1.00000
     86      -6.9240      1.00000
     87      -6.8832      1.00000
     88      -6.5328      1.00000
     89      -6.4873      1.00000
     90      -6.4604      1.00000
     91      -6.4106      1.00000
     92      -5.9818      1.00000
     93      -5.8963      1.00000
     94      -5.7842      1.00000
     95      -5.7599      1.00000
     96      -5.4291      1.00000
     97      -5.3278      1.00000
     98      -5.2302      1.00000
     99      -5.2172      1.00000
    100      -5.1890      1.00000
    101      -4.6888      1.00000
    102      -4.4155      1.00000
    103      -4.2045      1.00000
    104      -3.8261      1.00000
    105      -3.5205      1.00000
    106      -3.2748      1.00000
    107      -2.5323      0.00000
    108      -1.4558      0.00000
    109      -1.2689      0.00000
    110      -1.2041      0.00000
    111      -1.1731      0.00000
    112      -0.7202      0.00000
    113      -0.5048      0.00000
    114      -0.4133      0.00000
    115      -0.3405      0.00000
    116      -0.1470      0.00000
    117      -0.0041      0.00000
    118       0.1917      0.00000
    119       0.5591      0.00000
    120       0.6118      0.00000
    121       0.7990      0.00000
    122       0.9081      0.00000
    123       1.1347      0.00000
    124       1.4978      0.00000
    125       1.6379      0.00000
    126       1.8637      0.00000
    127       1.9339      0.00000
    128       2.1131      0.00000
    129       2.1229      0.00000
    130       2.1345      0.00000
    131       2.1794      0.00000
    132       2.2792      0.00000
    133       2.3282      0.00000
    134       2.4603      0.00000
    135       2.5772      0.00000
    136       2.6623      0.00000
    137       2.8599      0.00000
    138       2.8713      0.00000
    139       2.8992      0.00000
    140       3.0341      0.00000
    141       3.0398      0.00000
    142       3.1469      0.00000
    143       3.1702      0.00000
    144       3.2401      0.00000
    145       3.2820      0.00000
    146       3.2882      0.00000
    147       3.3045      0.00000
    148       3.3501      0.00000
    149       3.4308      0.00000
    150       3.4506      0.00000
    151       3.5570      0.00000
    152       3.6268      0.00000
    153       3.6955      0.00000
    154       3.7237      0.00000
    155       3.7806      0.00000
    156       3.8991      0.00000
    157       3.9487      0.00000
    158       4.0129      0.00000
    159       4.1444      0.00000
    160       4.2356      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3169      1.00000
      2     -21.9638      1.00000
      3     -21.8930      1.00000
      4     -21.3844      1.00000
      5     -21.3487      1.00000
      6     -20.8391      1.00000
      7     -20.7739      1.00000
      8     -20.6251      1.00000
      9     -20.0893      1.00000
     10     -20.0612      1.00000
     11     -19.7186      1.00000
     12     -19.6901      1.00000
     13     -19.0094      1.00000
     14     -18.9791      1.00000
     15     -18.6499      1.00000
     16     -18.6173      1.00000
     17     -18.4609      1.00000
     18     -17.6601      1.00000
     19     -17.6469      1.00000
     20     -17.6110      1.00000
     21     -17.5788      1.00000
     22     -17.1370      1.00000
     23     -17.0976      1.00000
     24     -16.9661      1.00000
     25     -16.0081      1.00000
     26     -15.9232      1.00000
     27     -15.5988      1.00000
     28     -15.5757      1.00000
     29     -15.2800      1.00000
     30     -14.8766      1.00000
     31     -14.8300      1.00000
     32     -14.5747      1.00000
     33     -14.5374      1.00000
     34     -14.1638      1.00000
     35     -14.1600      1.00000
     36     -13.1619      1.00000
     37     -13.0961      1.00000
     38     -13.0236      1.00000
     39     -13.0188      1.00000
     40     -12.7179      1.00000
     41     -12.6951      1.00000
     42     -12.3404      1.00000
     43     -12.3138      1.00000
     44     -11.6315      1.00000
     45     -11.6226      1.00000
     46     -11.5704      1.00000
     47     -10.9405      1.00000
     48     -10.9230      1.00000
     49     -10.6655      1.00000
     50     -10.5905      1.00000
     51     -10.5723      1.00000
     52     -10.5010      1.00000
     53     -10.4882      1.00000
     54     -10.4393      1.00000
     55     -10.3564      1.00000
     56     -10.1026      1.00000
     57      -9.8981      1.00000
     58      -9.6086      1.00000
     59      -9.5519      1.00000
     60      -9.4533      1.00000
     61      -9.4180      1.00000
     62      -9.4092      1.00000
     63      -9.3806      1.00000
     64      -9.3720      1.00000
     65      -9.2672      1.00000
     66      -9.1652      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8662      1.00000
     70      -8.8602      1.00000
     71      -8.8021      1.00000
     72      -8.5962      1.00000
     73      -8.5251      1.00000
     74      -8.1932      1.00000
     75      -8.1711      1.00000
     76      -8.0786      1.00000
     77      -7.8588      1.00000
     78      -7.8371      1.00000
     79      -7.8202      1.00000
     80      -7.7109      1.00000
     81      -7.6964      1.00000
     82      -7.6015      1.00000
     83      -7.5236      1.00000
     84      -7.3516      1.00000
     85      -7.1647      1.00000
     86      -6.9053      1.00000
     87      -6.8961      1.00000
     88      -6.5927      1.00000
     89      -6.5510      1.00000
     90      -6.4060      1.00000
     91      -6.3020      1.00000
     92      -6.2472      1.00000
     93      -6.2014      1.00000
     94      -6.0031      1.00000
     95      -5.5298      1.00000
     96      -5.4656      1.00000
     97      -5.3126      1.00000
     98      -5.2101      1.00000
     99      -5.0437      1.00000
    100      -4.7209      1.00000
    101      -4.6700      1.00000
    102      -4.4176      1.00000
    103      -4.1906      1.00000
    104      -3.8353      1.00000
    105      -3.6302      1.00000
    106      -3.4129      1.00000
    107      -2.2929      0.00000
    108      -1.5079      0.00000
    109      -1.2714      0.00000
    110      -1.2638      0.00000
    111      -1.0347      0.00000
    112      -0.9798      0.00000
    113      -0.8692      0.00000
    114      -0.8005      0.00000
    115      -0.2625      0.00000
    116       0.2029      0.00000
    117       0.2384      0.00000
    118       0.3583      0.00000
    119       0.6924      0.00000
    120       0.8930      0.00000
    121       0.9229      0.00000
    122       1.0419      0.00000
    123       1.1671      0.00000
    124       1.5101      0.00000
    125       1.5707      0.00000
    126       1.7115      0.00000
    127       1.7792      0.00000
    128       1.8311      0.00000
    129       1.9596      0.00000
    130       1.9962      0.00000
    131       2.1755      0.00000
    132       2.2728      0.00000
    133       2.4227      0.00000
    134       2.4499      0.00000
    135       2.5133      0.00000
    136       2.6005      0.00000
    137       2.6180      0.00000
    138       2.7054      0.00000
    139       2.7679      0.00000
    140       2.8726      0.00000
    141       3.0421      0.00000
    142       3.0920      0.00000
    143       3.1907      0.00000
    144       3.2422      0.00000
    145       3.2494      0.00000
    146       3.3024      0.00000
    147       3.3708      0.00000
    148       3.4593      0.00000
    149       3.5315      0.00000
    150       3.6970      0.00000
    151       3.7178      0.00000
    152       3.7523      0.00000
    153       3.8327      0.00000
    154       3.8935      0.00000
    155       3.9426      0.00000
    156       3.9850      0.00000
    157       4.0101      0.00000
    158       4.0306      0.00000
    159       4.0511      0.00000
    160       4.0832      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3892      1.00000
      2     -21.8303      1.00000
      3     -21.6414      1.00000
      4     -21.6069      1.00000
      5     -21.2785      1.00000
      6     -21.2323      1.00000
      7     -21.0570      1.00000
      8     -20.1711      1.00000
      9     -20.1258      1.00000
     10     -19.6165      1.00000
     11     -19.5910      1.00000
     12     -19.4159      1.00000
     13     -19.0942      1.00000
     14     -19.0561      1.00000
     15     -19.0519      1.00000
     16     -19.0393      1.00000
     17     -18.3667      1.00000
     18     -18.3474      1.00000
     19     -18.0170      1.00000
     20     -17.0718      1.00000
     21     -17.0240      1.00000
     22     -16.9500      1.00000
     23     -16.9362      1.00000
     24     -16.4746      1.00000
     25     -16.4627      1.00000
     26     -15.6095      1.00000
     27     -15.6089      1.00000
     28     -15.2499      1.00000
     29     -15.2382      1.00000
     30     -15.1914      1.00000
     31     -15.1015      1.00000
     32     -15.0688      1.00000
     33     -14.6982      1.00000
     34     -14.6974      1.00000
     35     -13.7250      1.00000
     36     -13.7249      1.00000
     37     -13.2355      1.00000
     38     -12.6238      1.00000
     39     -12.5804      1.00000
     40     -12.4548      1.00000
     41     -12.4494      1.00000
     42     -12.1053      1.00000
     43     -12.1005      1.00000
     44     -11.7210      1.00000
     45     -11.6831      1.00000
     46     -11.2450      1.00000
     47     -11.2248      1.00000
     48     -11.0177      1.00000
     49     -11.0062      1.00000
     50     -10.9276      1.00000
     51     -10.8993      1.00000
     52     -10.6328      1.00000
     53     -10.1723      1.00000
     54     -10.1493      1.00000
     55     -10.0858      1.00000
     56      -9.9890      1.00000
     57      -9.6963      1.00000
     58      -9.6891      1.00000
     59      -9.6711      1.00000
     60      -9.5927      1.00000
     61      -9.5678      1.00000
     62      -9.5524      1.00000
     63      -9.3128      1.00000
     64      -9.3004      1.00000
     65      -9.2818      1.00000
     66      -9.2429      1.00000
     67      -9.1221      1.00000
     68      -9.1127      1.00000
     69      -9.1112      1.00000
     70      -8.9397      1.00000
     71      -8.8754      1.00000
     72      -8.6050      1.00000
     73      -8.5866      1.00000
     74      -8.2722      1.00000
     75      -8.1014      1.00000
     76      -7.8678      1.00000
     77      -7.8436      1.00000
     78      -7.7908      1.00000
     79      -7.7649      1.00000
     80      -7.7562      1.00000
     81      -7.4383      1.00000
     82      -7.3344      1.00000
     83      -7.3231      1.00000
     84      -7.2651      1.00000
     85      -7.1662      1.00000
     86      -7.0153      1.00000
     87      -6.9859      1.00000
     88      -6.7168      1.00000
     89      -6.6920      1.00000
     90      -6.6315      1.00000
     91      -6.5897      1.00000
     92      -6.1175      1.00000
     93      -6.0590      1.00000
     94      -6.0443      1.00000
     95      -6.0282      1.00000
     96      -5.7482      1.00000
     97      -4.9682      1.00000
     98      -4.8372      1.00000
     99      -4.7093      1.00000
    100      -4.6736      1.00000
    101      -4.4778      1.00000
    102      -4.3454      1.00000
    103      -4.1111      1.00000
    104      -4.0540      1.00000
    105      -3.7496      1.00000
    106      -3.4585      1.00000
    107      -1.9493      0.00000
    108      -1.7724      0.00000
    109      -1.4812      0.00000
    110      -1.3563      0.00000
    111      -1.3375      0.00000
    112      -1.2932      0.00000
    113      -0.6800      0.00000
    114      -0.4717      0.00000
    115      -0.2360      0.00000
    116       0.0492      0.00000
    117       0.5897      0.00000
    118       0.6920      0.00000
    119       0.7678      0.00000
    120       1.0187      0.00000
    121       1.0962      0.00000
    122       1.1755      0.00000
    123       1.2493      0.00000
    124       1.3401      0.00000
    125       1.4399      0.00000
    126       1.6048      0.00000
    127       1.7585      0.00000
    128       1.8442      0.00000
    129       1.8572      0.00000
    130       1.8884      0.00000
    131       2.0375      0.00000
    132       2.2204      0.00000
    133       2.2418      0.00000
    134       2.2973      0.00000
    135       2.4831      0.00000
    136       2.6224      0.00000
    137       2.6357      0.00000
    138       2.7651      0.00000
    139       2.8028      0.00000
    140       2.8355      0.00000
    141       2.8503      0.00000
    142       2.8578      0.00000
    143       2.9366      0.00000
    144       3.1003      0.00000
    145       3.3171      0.00000
    146       3.3546      0.00000
    147       3.3917      0.00000
    148       3.4143      0.00000
    149       3.4348      0.00000
    150       3.6086      0.00000
    151       3.6473      0.00000
    152       3.6891      0.00000
    153       3.7382      0.00000
    154       3.9017      0.00000
    155       3.9333      0.00000
    156       3.9594      0.00000
    157       4.1088      0.00000
    158       4.2097      0.00000
    159       4.2724      0.00000
    160       4.2898      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1198      1.00000
      3     -21.9570      1.00000
      4     -21.4046      1.00000
      5     -21.0459      1.00000
      6     -21.0181      1.00000
      7     -20.4956      1.00000
      8     -20.4662      1.00000
      9     -20.2865      1.00000
     10     -20.2847      1.00000
     11     -19.9560      1.00000
     12     -19.8943      1.00000
     13     -18.8825      1.00000
     14     -18.8165      1.00000
     15     -18.3375      1.00000
     16     -18.3188      1.00000
     17     -18.1492      1.00000
     18     -18.1419      1.00000
     19     -17.8157      1.00000
     20     -17.7980      1.00000
     21     -17.2577      1.00000
     22     -17.2387      1.00000
     23     -17.1607      1.00000
     24     -17.1355      1.00000
     25     -16.1163      1.00000
     26     -15.8803      1.00000
     27     -15.8695      1.00000
     28     -15.8403      1.00000
     29     -15.2313      1.00000
     30     -14.5507      1.00000
     31     -14.5325      1.00000
     32     -14.2761      1.00000
     33     -13.9746      1.00000
     34     -13.9516      1.00000
     35     -13.8247      1.00000
     36     -13.8028      1.00000
     37     -13.6039      1.00000
     38     -13.5791      1.00000
     39     -13.3703      1.00000
     40     -12.6386      1.00000
     41     -12.1686      1.00000
     42     -12.1429      1.00000
     43     -12.0674      1.00000
     44     -12.0218      1.00000
     45     -11.6650      1.00000
     46     -11.6605      1.00000
     47     -11.1363      1.00000
     48     -11.1258      1.00000
     49     -10.7894      1.00000
     50     -10.7348      1.00000
     51     -10.5300      1.00000
     52     -10.2084      1.00000
     53     -10.2024      1.00000
     54     -10.1708      1.00000
     55     -10.0224      1.00000
     56      -9.9942      1.00000
     57      -9.9904      1.00000
     58      -9.8055      1.00000
     59      -9.7963      1.00000
     60      -9.7651      1.00000
     61      -9.7569      1.00000
     62      -9.4542      1.00000
     63      -9.4161      1.00000
     64      -9.0845      1.00000
     65      -9.0460      1.00000
     66      -9.0256      1.00000
     67      -8.9699      1.00000
     68      -8.8964      1.00000
     69      -8.7084      1.00000
     70      -8.6995      1.00000
     71      -8.5601      1.00000
     72      -8.5491      1.00000
     73      -8.4790      1.00000
     74      -8.4604      1.00000
     75      -8.4567      1.00000
     76      -8.3048      1.00000
     77      -8.0940      1.00000
     78      -8.0908      1.00000
     79      -7.9274      1.00000
     80      -7.8327      1.00000
     81      -7.6006      1.00000
     82      -7.5372      1.00000
     83      -7.4521      1.00000
     84      -7.3019      1.00000
     85      -6.9939      1.00000
     86      -6.9197      1.00000
     87      -6.8818      1.00000
     88      -6.5280      1.00000
     89      -6.5151      1.00000
     90      -6.4811      1.00000
     91      -6.4206      1.00000
     92      -5.9255      1.00000
     93      -5.9041      1.00000
     94      -5.7889      1.00000
     95      -5.7744      1.00000
     96      -5.3675      1.00000
     97      -5.3611      1.00000
     98      -5.2210      1.00000
     99      -5.2154      1.00000
    100      -5.1984      1.00000
    101      -4.7169      1.00000
    102      -4.4346      1.00000
    103      -4.1868      1.00000
    104      -3.8122      1.00000
    105      -3.5575      1.00000
    106      -3.2223      1.00000
    107      -2.5629      0.00000
    108      -1.4610      0.00000
    109      -1.2693      0.00000
    110      -1.1865      0.00000
    111      -1.1846      0.00000
    112      -0.6455      0.00000
    113      -0.5533      0.00000
    114      -0.4151      0.00000
    115      -0.3486      0.00000
    116      -0.0790      0.00000
    117      -0.0652      0.00000
    118       0.1252      0.00000
    119       0.5918      0.00000
    120       0.6259      0.00000
    121       0.8566      0.00000
    122       0.9889      0.00000
    123       1.0039      0.00000
    124       1.4934      0.00000
    125       1.6866      0.00000
    126       1.7816      0.00000
    127       1.8692      0.00000
    128       2.1233      0.00000
    129       2.1290      0.00000
    130       2.1847      0.00000
    131       2.2101      0.00000
    132       2.2515      0.00000
    133       2.3445      0.00000
    134       2.4969      0.00000
    135       2.4979      0.00000
    136       2.6721      0.00000
    137       2.8519      0.00000
    138       2.8605      0.00000
    139       2.9597      0.00000
    140       3.0210      0.00000
    141       3.0550      0.00000
    142       3.1409      0.00000
    143       3.1817      0.00000
    144       3.2497      0.00000
    145       3.2642      0.00000
    146       3.2851      0.00000
    147       3.3081      0.00000
    148       3.3587      0.00000
    149       3.4235      0.00000
    150       3.5579      0.00000
    151       3.5710      0.00000
    152       3.6521      0.00000
    153       3.6650      0.00000
    154       3.6920      0.00000
    155       3.7220      0.00000
    156       3.9016      0.00000
    157       3.9694      0.00000
    158       4.0475      0.00000
    159       4.0887      0.00000
    160       4.1967      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2825      1.00000
      2     -22.0788      1.00000
      3     -21.7201      1.00000
      4     -21.6814      1.00000
      5     -20.9824      1.00000
      6     -20.9355      1.00000
      7     -20.6110      1.00000
      8     -20.5795      1.00000
      9     -20.5661      1.00000
     10     -20.0325      1.00000
     11     -19.5127      1.00000
     12     -19.4834      1.00000
     13     -19.3116      1.00000
     14     -19.2987      1.00000
     15     -18.4494      1.00000
     16     -18.4070      1.00000
     17     -17.9274      1.00000
     18     -17.9075      1.00000
     19     -17.7656      1.00000
     20     -17.7215      1.00000
     21     -17.4416      1.00000
     22     -17.4235      1.00000
     23     -17.3387      1.00000
     24     -16.4707      1.00000
     25     -16.4604      1.00000
     26     -15.9704      1.00000
     27     -15.4108      1.00000
     28     -15.4100      1.00000
     29     -15.0959      1.00000
     30     -15.0928      1.00000
     31     -14.8533      1.00000
     32     -14.8414      1.00000
     33     -14.2976      1.00000
     34     -14.2545      1.00000
     35     -13.4440      1.00000
     36     -13.4008      1.00000
     37     -13.1751      1.00000
     38     -13.1739      1.00000
     39     -12.9855      1.00000
     40     -12.9766      1.00000
     41     -12.6108      1.00000
     42     -12.6089      1.00000
     43     -12.1970      1.00000
     44     -11.5789      1.00000
     45     -11.5384      1.00000
     46     -11.3133      1.00000
     47     -11.2833      1.00000
     48     -11.1420      1.00000
     49     -10.6906      1.00000
     50     -10.6631      1.00000
     51     -10.5436      1.00000
     52     -10.3222      1.00000
     53     -10.3148      1.00000
     54     -10.1753      1.00000
     55     -10.1214      1.00000
     56     -10.1080      1.00000
     57      -9.8110      1.00000
     58      -9.7519      1.00000
     59      -9.7519      1.00000
     60      -9.7027      1.00000
     61      -9.6987      1.00000
     62      -9.6464      1.00000
     63      -9.3528      1.00000
     64      -9.3513      1.00000
     65      -9.3179      1.00000
     66      -9.0272      1.00000
     67      -8.9618      1.00000
     68      -8.9575      1.00000
     69      -8.7753      1.00000
     70      -8.5919      1.00000
     71      -8.5858      1.00000
     72      -8.4227      1.00000
     73      -8.3494      1.00000
     74      -8.3223      1.00000
     75      -8.3023      1.00000
     76      -8.2664      1.00000
     77      -8.2548      1.00000
     78      -8.2399      1.00000
     79      -7.9255      1.00000
     80      -7.7360      1.00000
     81      -7.3792      1.00000
     82      -7.3499      1.00000
     83      -7.3124      1.00000
     84      -7.2171      1.00000
     85      -7.1589      1.00000
     86      -7.0681      1.00000
     87      -6.9602      1.00000
     88      -6.9072      1.00000
     89      -6.6140      1.00000
     90      -6.5565      1.00000
     91      -6.2718      1.00000
     92      -5.9953      1.00000
     93      -5.9589      1.00000
     94      -5.6741      1.00000
     95      -5.6474      1.00000
     96      -5.3855      1.00000
     97      -5.3150      1.00000
     98      -5.2930      1.00000
     99      -5.2123      1.00000
    100      -5.2003      1.00000
    101      -4.5028      1.00000
    102      -4.3312      1.00000
    103      -3.9949      1.00000
    104      -3.8843      1.00000
    105      -3.7873      1.00000
    106      -3.4375      1.00000
    107      -2.0334      0.00000
    108      -1.8648      0.00000
    109      -1.2171      0.00000
    110      -1.1861      0.00000
    111      -1.0365      0.00000
    112      -0.7731      0.00000
    113      -0.6792      0.00000
    114      -0.6606      0.00000
    115      -0.6102      0.00000
    116      -0.1040      0.00000
    117       0.2218      0.00000
    118       0.2380      0.00000
    119       0.7724      0.00000
    120       0.9856      0.00000
    121       1.0740      0.00000
    122       1.2406      0.00000
    123       1.2506      0.00000
    124       1.3413      0.00000
    125       1.5798      0.00000
    126       1.5845      0.00000
    127       1.7138      0.00000
    128       1.7953      0.00000
    129       1.9504      0.00000
    130       1.9755      0.00000
    131       2.0683      0.00000
    132       2.2796      0.00000
    133       2.3427      0.00000
    134       2.4249      0.00000
    135       2.5469      0.00000
    136       2.6325      0.00000
    137       2.7529      0.00000
    138       2.8165      0.00000
    139       2.8493      0.00000
    140       2.8773      0.00000
    141       3.0560      0.00000
    142       3.1064      0.00000
    143       3.1616      0.00000
    144       3.2294      0.00000
    145       3.3748      0.00000
    146       3.4190      0.00000
    147       3.5156      0.00000
    148       3.5651      0.00000
    149       3.5919      0.00000
    150       3.6181      0.00000
    151       3.6581      0.00000
    152       3.7391      0.00000
    153       3.7512      0.00000
    154       3.7766      0.00000
    155       3.8035      0.00000
    156       3.8772      0.00000
    157       4.0244      0.00000
    158       4.0965      0.00000
    159       4.1792      0.00000
    160       4.2199      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4260      1.00000
      2     -21.6009      1.00000
      3     -21.4814      1.00000
      4     -21.4723      1.00000
      5     -21.4415      1.00000
      6     -21.4409      1.00000
      7     -21.4310      1.00000
      8     -19.7061      1.00000
      9     -19.6524      1.00000
     10     -19.6296      1.00000
     11     -19.6188      1.00000
     12     -19.6135      1.00000
     13     -19.6123      1.00000
     14     -18.7893      1.00000
     15     -18.7545      1.00000
     16     -18.7351      1.00000
     17     -18.7256      1.00000
     18     -18.7186      1.00000
     19     -18.7132      1.00000
     20     -16.6340      1.00000
     21     -16.6088      1.00000
     22     -16.5850      1.00000
     23     -16.5811      1.00000
     24     -16.5549      1.00000
     25     -16.5532      1.00000
     26     -15.6140      1.00000
     27     -15.6019      1.00000
     28     -15.5984      1.00000
     29     -15.5653      1.00000
     30     -15.5632      1.00000
     31     -15.5620      1.00000
     32     -14.2595      1.00000
     33     -14.2503      1.00000
     34     -14.2403      1.00000
     35     -14.2358      1.00000
     36     -14.2226      1.00000
     37     -14.2200      1.00000
     38     -11.9049      1.00000
     39     -11.8787      1.00000
     40     -11.8678      1.00000
     41     -11.8650      1.00000
     42     -11.8451      1.00000
     43     -11.8450      1.00000
     44     -11.7707      1.00000
     45     -11.7684      1.00000
     46     -11.7360      1.00000
     47     -11.7293      1.00000
     48     -11.7253      1.00000
     49     -11.7227      1.00000
     50     -10.6723      1.00000
     51     -10.3880      1.00000
     52     -10.3837      1.00000
     53     -10.3766      1.00000
     54     -10.3685      1.00000
     55     -10.3560      1.00000
     56     -10.3537      1.00000
     57      -9.9006      1.00000
     58      -9.4484      1.00000
     59      -9.4051      1.00000
     60      -9.3630      1.00000
     61      -9.3623      1.00000
     62      -9.3548      1.00000
     63      -9.1418      1.00000
     64      -9.1212      1.00000
     65      -9.1207      1.00000
     66      -9.0851      1.00000
     67      -9.0722      1.00000
     68      -9.0713      1.00000
     69      -9.0713      1.00000
     70      -9.0646      1.00000
     71      -9.0639      1.00000
     72      -9.0387      1.00000
     73      -9.0293      1.00000
     74      -9.0259      1.00000
     75      -8.1370      1.00000
     76      -7.7315      1.00000
     77      -7.4690      1.00000
     78      -7.4666      1.00000
     79      -7.4541      1.00000
     80      -7.4349      1.00000
     81      -7.4244      1.00000
     82      -7.4074      1.00000
     83      -7.3113      1.00000
     84      -7.2702      1.00000
     85      -7.2572      1.00000
     86      -7.2486      1.00000
     87      -7.1567      1.00000
     88      -7.0455      1.00000
     89      -6.4467      1.00000
     90      -6.4148      1.00000
     91      -6.3996      1.00000
     92      -6.3639      1.00000
     93      -6.3531      1.00000
     94      -6.3401      1.00000
     95      -5.9591      1.00000
     96      -5.9581      1.00000
     97      -4.7956      1.00000
     98      -4.5397      1.00000
     99      -4.4811      1.00000
    100      -4.4706      1.00000
    101      -4.3829      1.00000
    102      -4.3822      1.00000
    103      -4.2656      1.00000
    104      -4.1843      1.00000
    105      -3.7339      1.00000
    106      -3.4701      1.00000
    107      -1.8599      0.00000
    108      -1.6735      0.00000
    109      -1.6247      0.00000
    110      -1.5924      0.00000
    111      -1.5767      0.00000
    112      -1.5760      0.00000
    113      -0.4284      0.00000
    114       0.1418      0.00000
    115       0.1919      0.00000
    116       0.2548      0.00000
    117       0.2667      0.00000
    118       0.2702      0.00000
    119       0.4743      0.00000
    120       0.5514      0.00000
    121       1.2515      0.00000
    122       1.2885      0.00000
    123       1.5384      0.00000
    124       1.7757      0.00000
    125       1.7783      0.00000
    126       1.7791      0.00000
    127       1.7857      0.00000
    128       1.8313      0.00000
    129       1.9576      0.00000
    130       1.9704      0.00000
    131       1.9738      0.00000
    132       1.9880      0.00000
    133       1.9952      0.00000
    134       2.0812      0.00000
    135       2.2573      0.00000
    136       2.3391      0.00000
    137       2.6252      0.00000
    138       2.6276      0.00000
    139       2.6558      0.00000
    140       2.7275      0.00000
    141       2.9457      0.00000
    142       3.0372      0.00000
    143       3.0519      0.00000
    144       3.0808      0.00000
    145       3.0835      0.00000
    146       3.0861      0.00000
    147       3.1048      0.00000
    148       3.2796      0.00000
    149       3.4518      0.00000
    150       3.5195      0.00000
    151       3.8243      0.00000
    152       3.9654      0.00000
    153       3.9787      0.00000
    154       3.9820      0.00000
    155       3.9881      0.00000
    156       4.0053      0.00000
    157       4.1936      0.00000
    158       4.2649      0.00000
    159       4.2771      0.00000
    160       4.2862      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3893      1.00000
      2     -21.8300      1.00000
      3     -21.6384      1.00000
      4     -21.6108      1.00000
      5     -21.2743      1.00000
      6     -21.2357      1.00000
      7     -21.0574      1.00000
      8     -20.1673      1.00000
      9     -20.1298      1.00000
     10     -19.6086      1.00000
     11     -19.5976      1.00000
     12     -19.4173      1.00000
     13     -19.0892      1.00000
     14     -19.0602      1.00000
     15     -19.0493      1.00000
     16     -19.0419      1.00000
     17     -18.3608      1.00000
     18     -18.3525      1.00000
     19     -18.0191      1.00000
     20     -17.0685      1.00000
     21     -17.0304      1.00000
     22     -16.9442      1.00000
     23     -16.9406      1.00000
     24     -16.4679      1.00000
     25     -16.4636      1.00000
     26     -15.6139      1.00000
     27     -15.6075      1.00000
     28     -15.2525      1.00000
     29     -15.2435      1.00000
     30     -15.1846      1.00000
     31     -15.0981      1.00000
     32     -15.0715      1.00000
     33     -14.6987      1.00000
     34     -14.6966      1.00000
     35     -13.7266      1.00000
     36     -13.7240      1.00000
     37     -13.2358      1.00000
     38     -12.6140      1.00000
     39     -12.5844      1.00000
     40     -12.4543      1.00000
     41     -12.4507      1.00000
     42     -12.1093      1.00000
     43     -12.1047      1.00000
     44     -11.7171      1.00000
     45     -11.6866      1.00000
     46     -11.2350      1.00000
     47     -11.2263      1.00000
     48     -11.0177      1.00000
     49     -11.0099      1.00000
     50     -10.9265      1.00000
     51     -10.9054      1.00000
     52     -10.6267      1.00000
     53     -10.1551      1.00000
     54     -10.1511      1.00000
     55     -10.0921      1.00000
     56      -9.9964      1.00000
     57      -9.7027      1.00000
     58      -9.6950      1.00000
     59      -9.6561      1.00000
     60      -9.5915      1.00000
     61      -9.5768      1.00000
     62      -9.5587      1.00000
     63      -9.3070      1.00000
     64      -9.3035      1.00000
     65      -9.2737      1.00000
     66      -9.2364      1.00000
     67      -9.1363      1.00000
     68      -9.1155      1.00000
     69      -9.1115      1.00000
     70      -8.9400      1.00000
     71      -8.8723      1.00000
     72      -8.6047      1.00000
     73      -8.5910      1.00000
     74      -8.2392      1.00000
     75      -8.1009      1.00000
     76      -7.9090      1.00000
     77      -7.8638      1.00000
     78      -7.7718      1.00000
     79      -7.7573      1.00000
     80      -7.6957      1.00000
     81      -7.5530      1.00000
     82      -7.3392      1.00000
     83      -7.3232      1.00000
     84      -7.2053      1.00000
     85      -7.1218      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7041      1.00000
     89      -6.6787      1.00000
     90      -6.6412      1.00000
     91      -6.5971      1.00000
     92      -6.1165      1.00000
     93      -6.0619      1.00000
     94      -6.0309      1.00000
     95      -6.0114      1.00000
     96      -5.7824      1.00000
     97      -4.9678      1.00000
     98      -4.8307      1.00000
     99      -4.7463      1.00000
    100      -4.6787      1.00000
    101      -4.4617      1.00000
    102      -4.1993      1.00000
    103      -4.1705      1.00000
    104      -4.1272      1.00000
    105      -3.7246      1.00000
    106      -3.4800      1.00000
    107      -1.8697      0.00000
    108      -1.8107      0.00000
    109      -1.5239      0.00000
    110      -1.3789      0.00000
    111      -1.3225      0.00000
    112      -1.2890      0.00000
    113      -0.7201      0.00000
    114      -0.3766      0.00000
    115      -0.2517      0.00000
    116       0.0346      0.00000
    117       0.5569      0.00000
    118       0.6972      0.00000
    119       0.7456      0.00000
    120       1.0463      0.00000
    121       1.0988      0.00000
    122       1.1511      0.00000
    123       1.2263      0.00000
    124       1.3819      0.00000
    125       1.5244      0.00000
    126       1.5900      0.00000
    127       1.7176      0.00000
    128       1.8074      0.00000
    129       1.8563      0.00000
    130       1.8815      0.00000
    131       2.0945      0.00000
    132       2.1937      0.00000
    133       2.2422      0.00000
    134       2.3142      0.00000
    135       2.5209      0.00000
    136       2.6015      0.00000
    137       2.6302      0.00000
    138       2.7842      0.00000
    139       2.7999      0.00000
    140       2.8269      0.00000
    141       2.8470      0.00000
    142       2.9069      0.00000
    143       2.9363      0.00000
    144       3.0949      0.00000
    145       3.1645      0.00000
    146       3.3226      0.00000
    147       3.3701      0.00000
    148       3.4142      0.00000
    149       3.4777      0.00000
    150       3.6204      0.00000
    151       3.6465      0.00000
    152       3.6760      0.00000
    153       3.7201      0.00000
    154       3.9255      0.00000
    155       3.9654      0.00000
    156       4.0222      0.00000
    157       4.0694      0.00000
    158       4.2516      0.00000
    159       4.2622      0.00000
    160       4.2812      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2829      1.00000
      2     -22.0781      1.00000
      3     -21.7167      1.00000
      4     -21.6852      1.00000
      5     -20.9790      1.00000
      6     -20.9393      1.00000
      7     -20.6115      1.00000
      8     -20.5756      1.00000
      9     -20.5694      1.00000
     10     -20.0328      1.00000
     11     -19.5033      1.00000
     12     -19.4917      1.00000
     13     -19.3072      1.00000
     14     -19.3020      1.00000
     15     -18.4473      1.00000
     16     -18.4112      1.00000
     17     -17.9223      1.00000
     18     -17.9132      1.00000
     19     -17.7613      1.00000
     20     -17.7261      1.00000
     21     -17.4361      1.00000
     22     -17.4289      1.00000
     23     -17.3410      1.00000
     24     -16.4630      1.00000
     25     -16.4620      1.00000
     26     -15.9671      1.00000
     27     -15.4142      1.00000
     28     -15.4090      1.00000
     29     -15.0966      1.00000
     30     -15.0933      1.00000
     31     -14.8550      1.00000
     32     -14.8474      1.00000
     33     -14.2902      1.00000
     34     -14.2579      1.00000
     35     -13.4365      1.00000
     36     -13.4045      1.00000
     37     -13.1775      1.00000
     38     -13.1741      1.00000
     39     -12.9818      1.00000
     40     -12.9770      1.00000
     41     -12.6131      1.00000
     42     -12.6099      1.00000
     43     -12.1978      1.00000
     44     -11.5763      1.00000
     45     -11.5430      1.00000
     46     -11.3106      1.00000
     47     -11.2881      1.00000
     48     -11.1421      1.00000
     49     -10.6751      1.00000
     50     -10.6608      1.00000
     51     -10.5488      1.00000
     52     -10.3232      1.00000
     53     -10.3178      1.00000
     54     -10.1705      1.00000
     55     -10.1152      1.00000
     56     -10.1124      1.00000
     57      -9.7978      1.00000
     58      -9.7644      1.00000
     59      -9.7519      1.00000
     60      -9.7002      1.00000
     61      -9.6977      1.00000
     62      -9.6615      1.00000
     63      -9.3545      1.00000
     64      -9.3517      1.00000
     65      -9.3157      1.00000
     66      -9.0403      1.00000
     67      -8.9625      1.00000
     68      -8.9491      1.00000
     69      -8.7986      1.00000
     70      -8.5942      1.00000
     71      -8.5587      1.00000
     72      -8.3973      1.00000
     73      -8.3647      1.00000
     74      -8.3244      1.00000
     75      -8.3066      1.00000
     76      -8.2592      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9087      1.00000
     80      -7.6515      1.00000
     81      -7.5420      1.00000
     82      -7.3864      1.00000
     83      -7.3498      1.00000
     84      -7.2316      1.00000
     85      -7.0982      1.00000
     86      -7.0381      1.00000
     87      -6.9347      1.00000
     88      -6.8463      1.00000
     89      -6.6126      1.00000
     90      -6.5594      1.00000
     91      -6.2699      1.00000
     92      -6.0420      1.00000
     93      -5.9512      1.00000
     94      -5.6617      1.00000
     95      -5.6227      1.00000
     96      -5.4598      1.00000
     97      -5.3186      1.00000
     98      -5.2784      1.00000
     99      -5.2137      1.00000
    100      -5.1945      1.00000
    101      -4.4988      1.00000
    102      -4.2028      1.00000
    103      -4.0552      1.00000
    104      -3.9890      1.00000
    105      -3.6906      1.00000
    106      -3.4901      1.00000
    107      -1.9459      0.00000
    108      -1.8984      0.00000
    109      -1.3370      0.00000
    110      -1.0860      0.00000
    111      -1.0597      0.00000
    112      -0.8012      0.00000
    113      -0.6790      0.00000
    114      -0.6477      0.00000
    115      -0.6083      0.00000
    116      -0.1099      0.00000
    117       0.2143      0.00000
    118       0.3273      0.00000
    119       0.6967      0.00000
    120       0.8872      0.00000
    121       1.1246      0.00000
    122       1.1985      0.00000
    123       1.3292      0.00000
    124       1.4238      0.00000
    125       1.5553      0.00000
    126       1.5769      0.00000
    127       1.6889      0.00000
    128       1.8101      0.00000
    129       1.8845      0.00000
    130       2.0591      0.00000
    131       2.1141      0.00000
    132       2.3155      0.00000
    133       2.3534      0.00000
    134       2.4063      0.00000
    135       2.5551      0.00000
    136       2.6347      0.00000
    137       2.7355      0.00000
    138       2.7443      0.00000
    139       2.8142      0.00000
    140       2.8918      0.00000
    141       3.0543      0.00000
    142       3.0668      0.00000
    143       3.1747      0.00000
    144       3.2712      0.00000
    145       3.3645      0.00000
    146       3.4216      0.00000
    147       3.4433      0.00000
    148       3.5708      0.00000
    149       3.5882      0.00000
    150       3.6129      0.00000
    151       3.6608      0.00000
    152       3.6797      0.00000
    153       3.7813      0.00000
    154       3.7966      0.00000
    155       3.8088      0.00000
    156       3.8933      0.00000
    157       3.9324      0.00000
    158       3.9969      0.00000
    159       4.2247      0.00000
    160       4.2278      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3171      1.00000
      2     -21.9622      1.00000
      3     -21.8946      1.00000
      4     -21.3808      1.00000
      5     -21.3521      1.00000
      6     -20.8391      1.00000
      7     -20.7753      1.00000
      8     -20.6242      1.00000
      9     -20.0776      1.00000
     10     -20.0722      1.00000
     11     -19.7169      1.00000
     12     -19.6927      1.00000
     13     -18.9964      1.00000
     14     -18.9908      1.00000
     15     -18.6409      1.00000
     16     -18.6252      1.00000
     17     -18.4621      1.00000
     18     -17.6745      1.00000
     19     -17.6251      1.00000
     20     -17.6221      1.00000
     21     -17.5810      1.00000
     22     -17.1264      1.00000
     23     -17.1054      1.00000
     24     -16.9627      1.00000
     25     -16.0022      1.00000
     26     -15.9293      1.00000
     27     -15.5858      1.00000
     28     -15.5857      1.00000
     29     -15.2867      1.00000
     30     -14.8641      1.00000
     31     -14.8373      1.00000
     32     -14.5785      1.00000
     33     -14.5377      1.00000
     34     -14.1687      1.00000
     35     -14.1554      1.00000
     36     -13.1485      1.00000
     37     -13.1000      1.00000
     38     -13.0301      1.00000
     39     -13.0197      1.00000
     40     -12.7090      1.00000
     41     -12.7051      1.00000
     42     -12.3413      1.00000
     43     -12.3108      1.00000
     44     -11.6358      1.00000
     45     -11.6226      1.00000
     46     -11.5721      1.00000
     47     -10.9494      1.00000
     48     -10.9167      1.00000
     49     -10.6303      1.00000
     50     -10.6244      1.00000
     51     -10.5454      1.00000
     52     -10.5000      1.00000
     53     -10.4994      1.00000
     54     -10.4402      1.00000
     55     -10.3603      1.00000
     56     -10.0984      1.00000
     57      -9.9038      1.00000
     58      -9.6078      1.00000
     59      -9.5569      1.00000
     60      -9.4529      1.00000
     61      -9.4124      1.00000
     62      -9.4046      1.00000
     63      -9.3775      1.00000
     64      -9.3773      1.00000
     65      -9.2864      1.00000
     66      -9.1685      1.00000
     67      -9.1436      1.00000
     68      -9.1147      1.00000
     69      -8.8645      1.00000
     70      -8.8576      1.00000
     71      -8.8150      1.00000
     72      -8.5972      1.00000
     73      -8.4798      1.00000
     74      -8.1992      1.00000
     75      -8.1635      1.00000
     76      -8.0128      1.00000
     77      -7.9569      1.00000
     78      -7.8508      1.00000
     79      -7.8405      1.00000
     80      -7.7066      1.00000
     81      -7.6964      1.00000
     82      -7.6248      1.00000
     83      -7.4452      1.00000
     84      -7.3052      1.00000
     85      -7.2465      1.00000
     86      -6.9068      1.00000
     87      -6.8928      1.00000
     88      -6.5889      1.00000
     89      -6.5505      1.00000
     90      -6.4072      1.00000
     91      -6.2536      1.00000
     92      -6.2326      1.00000
     93      -6.2053      1.00000
     94      -6.0220      1.00000
     95      -5.5483      1.00000
     96      -5.4875      1.00000
     97      -5.3478      1.00000
     98      -5.2197      1.00000
     99      -4.9795      1.00000
    100      -4.7279      1.00000
    101      -4.6767      1.00000
    102      -4.3830      1.00000
    103      -4.1981      1.00000
    104      -3.8640      1.00000
    105      -3.5462      1.00000
    106      -3.5014      1.00000
    107      -2.2577      0.00000
    108      -1.4542      0.00000
    109      -1.3736      0.00000
    110      -1.2424      0.00000
    111      -1.0978      0.00000
    112      -0.9459      0.00000
    113      -0.8649      0.00000
    114      -0.8046      0.00000
    115      -0.1414      0.00000
    116       0.1077      0.00000
    117       0.2400      0.00000
    118       0.3762      0.00000
    119       0.6548      0.00000
    120       0.8338      0.00000
    121       0.9360      0.00000
    122       1.0650      0.00000
    123       1.2373      0.00000
    124       1.4449      0.00000
    125       1.5635      0.00000
    126       1.7660      0.00000
    127       1.7922      0.00000
    128       1.8695      0.00000
    129       1.9806      0.00000
    130       2.0399      0.00000
    131       2.1848      0.00000
    132       2.1862      0.00000
    133       2.4194      0.00000
    134       2.4433      0.00000
    135       2.5172      0.00000
    136       2.6038      0.00000
    137       2.6352      0.00000
    138       2.7012      0.00000
    139       2.7896      0.00000
    140       2.8461      0.00000
    141       2.9612      0.00000
    142       3.0934      0.00000
    143       3.1969      0.00000
    144       3.2090      0.00000
    145       3.2492      0.00000
    146       3.3304      0.00000
    147       3.3450      0.00000
    148       3.4747      0.00000
    149       3.5109      0.00000
    150       3.6979      0.00000
    151       3.7181      0.00000
    152       3.7275      0.00000
    153       3.8632      0.00000
    154       3.9111      0.00000
    155       3.9573      0.00000
    156       3.9820      0.00000
    157       4.0055      0.00000
    158       4.0350      0.00000
    159       4.0593      0.00000
    160       4.0743      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2091      1.00000
      2     -22.1184      1.00000
      3     -21.9573      1.00000
      4     -21.4046      1.00000
      5     -21.0496      1.00000
      6     -21.0143      1.00000
      7     -20.5003      1.00000
      8     -20.4616      1.00000
      9     -20.2952      1.00000
     10     -20.2762      1.00000
     11     -19.9573      1.00000
     12     -19.8927      1.00000
     13     -18.8821      1.00000
     14     -18.8146      1.00000
     15     -18.3524      1.00000
     16     -18.3069      1.00000
     17     -18.1533      1.00000
     18     -18.1365      1.00000
     19     -17.8266      1.00000
     20     -17.7895      1.00000
     21     -17.2518      1.00000
     22     -17.2422      1.00000
     23     -17.1650      1.00000
     24     -17.1334      1.00000
     25     -16.1102      1.00000
     26     -15.8855      1.00000
     27     -15.8704      1.00000
     28     -15.8347      1.00000
     29     -15.2366      1.00000
     30     -14.5552      1.00000
     31     -14.5277      1.00000
     32     -14.2804      1.00000
     33     -13.9638      1.00000
     34     -13.9567      1.00000
     35     -13.8205      1.00000
     36     -13.8051      1.00000
     37     -13.6147      1.00000
     38     -13.5712      1.00000
     39     -13.3702      1.00000
     40     -12.6347      1.00000
     41     -12.1810      1.00000
     42     -12.1334      1.00000
     43     -12.0720      1.00000
     44     -12.0204      1.00000
     45     -11.6697      1.00000
     46     -11.6565      1.00000
     47     -11.1389      1.00000
     48     -11.1190      1.00000
     49     -10.7947      1.00000
     50     -10.7317      1.00000
     51     -10.5230      1.00000
     52     -10.2085      1.00000
     53     -10.2058      1.00000
     54     -10.1651      1.00000
     55     -10.0179      1.00000
     56     -10.0046      1.00000
     57      -9.9910      1.00000
     58      -9.8017      1.00000
     59      -9.7979      1.00000
     60      -9.7628      1.00000
     61      -9.7582      1.00000
     62      -9.4551      1.00000
     63      -9.4162      1.00000
     64      -9.0792      1.00000
     65      -9.0727      1.00000
     66      -9.0419      1.00000
     67      -8.9553      1.00000
     68      -8.8768      1.00000
     69      -8.7124      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5435      1.00000
     73      -8.4989      1.00000
     74      -8.4632      1.00000
     75      -8.4539      1.00000
     76      -8.2588      1.00000
     77      -8.1258      1.00000
     78      -8.0427      1.00000
     79      -7.9162      1.00000
     80      -7.8618      1.00000
     81      -7.6169      1.00000
     82      -7.5483      1.00000
     83      -7.4945      1.00000
     84      -7.2607      1.00000
     85      -6.9951      1.00000
     86      -6.9240      1.00000
     87      -6.8832      1.00000
     88      -6.5328      1.00000
     89      -6.4873      1.00000
     90      -6.4604      1.00000
     91      -6.4106      1.00000
     92      -5.9818      1.00000
     93      -5.8963      1.00000
     94      -5.7842      1.00000
     95      -5.7599      1.00000
     96      -5.4291      1.00000
     97      -5.3278      1.00000
     98      -5.2302      1.00000
     99      -5.2172      1.00000
    100      -5.1890      1.00000
    101      -4.6888      1.00000
    102      -4.4155      1.00000
    103      -4.2044      1.00000
    104      -3.8261      1.00000
    105      -3.5205      1.00000
    106      -3.2748      1.00000
    107      -2.5323      0.00000
    108      -1.4558      0.00000
    109      -1.2689      0.00000
    110      -1.2041      0.00000
    111      -1.1731      0.00000
    112      -0.7202      0.00000
    113      -0.5048      0.00000
    114      -0.4133      0.00000
    115      -0.3405      0.00000
    116      -0.1470      0.00000
    117      -0.0041      0.00000
    118       0.1917      0.00000
    119       0.5591      0.00000
    120       0.6118      0.00000
    121       0.7990      0.00000
    122       0.9080      0.00000
    123       1.1346      0.00000
    124       1.4978      0.00000
    125       1.6379      0.00000
    126       1.8636      0.00000
    127       1.9339      0.00000
    128       2.1131      0.00000
    129       2.1229      0.00000
    130       2.1345      0.00000
    131       2.1795      0.00000
    132       2.2792      0.00000
    133       2.3283      0.00000
    134       2.4604      0.00000
    135       2.5773      0.00000
    136       2.6623      0.00000
    137       2.8599      0.00000
    138       2.8713      0.00000
    139       2.8992      0.00000
    140       3.0341      0.00000
    141       3.0398      0.00000
    142       3.1469      0.00000
    143       3.1703      0.00000
    144       3.2401      0.00000
    145       3.2819      0.00000
    146       3.2882      0.00000
    147       3.3045      0.00000
    148       3.3501      0.00000
    149       3.4308      0.00000
    150       3.4506      0.00000
    151       3.5570      0.00000
    152       3.6268      0.00000
    153       3.6956      0.00000
    154       3.7239      0.00000
    155       3.7805      0.00000
    156       3.8991      0.00000
    157       3.9487      0.00000
    158       4.0129      0.00000
    159       4.1444      0.00000
    160       4.2356      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3169      1.00000
      2     -21.9638      1.00000
      3     -21.8930      1.00000
      4     -21.3844      1.00000
      5     -21.3487      1.00000
      6     -20.8391      1.00000
      7     -20.7739      1.00000
      8     -20.6251      1.00000
      9     -20.0893      1.00000
     10     -20.0612      1.00000
     11     -19.7186      1.00000
     12     -19.6901      1.00000
     13     -19.0094      1.00000
     14     -18.9791      1.00000
     15     -18.6499      1.00000
     16     -18.6173      1.00000
     17     -18.4609      1.00000
     18     -17.6601      1.00000
     19     -17.6469      1.00000
     20     -17.6110      1.00000
     21     -17.5788      1.00000
     22     -17.1370      1.00000
     23     -17.0976      1.00000
     24     -16.9661      1.00000
     25     -16.0081      1.00000
     26     -15.9232      1.00000
     27     -15.5988      1.00000
     28     -15.5757      1.00000
     29     -15.2800      1.00000
     30     -14.8766      1.00000
     31     -14.8300      1.00000
     32     -14.5747      1.00000
     33     -14.5374      1.00000
     34     -14.1638      1.00000
     35     -14.1600      1.00000
     36     -13.1619      1.00000
     37     -13.0961      1.00000
     38     -13.0236      1.00000
     39     -13.0188      1.00000
     40     -12.7179      1.00000
     41     -12.6951      1.00000
     42     -12.3404      1.00000
     43     -12.3138      1.00000
     44     -11.6315      1.00000
     45     -11.6226      1.00000
     46     -11.5704      1.00000
     47     -10.9405      1.00000
     48     -10.9230      1.00000
     49     -10.6655      1.00000
     50     -10.5905      1.00000
     51     -10.5723      1.00000
     52     -10.5010      1.00000
     53     -10.4882      1.00000
     54     -10.4393      1.00000
     55     -10.3564      1.00000
     56     -10.1026      1.00000
     57      -9.8981      1.00000
     58      -9.6086      1.00000
     59      -9.5519      1.00000
     60      -9.4533      1.00000
     61      -9.4180      1.00000
     62      -9.4092      1.00000
     63      -9.3806      1.00000
     64      -9.3720      1.00000
     65      -9.2672      1.00000
     66      -9.1652      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8662      1.00000
     70      -8.8602      1.00000
     71      -8.8021      1.00000
     72      -8.5962      1.00000
     73      -8.5251      1.00000
     74      -8.1932      1.00000
     75      -8.1711      1.00000
     76      -8.0786      1.00000
     77      -7.8588      1.00000
     78      -7.8371      1.00000
     79      -7.8202      1.00000
     80      -7.7109      1.00000
     81      -7.6964      1.00000
     82      -7.6015      1.00000
     83      -7.5236      1.00000
     84      -7.3516      1.00000
     85      -7.1647      1.00000
     86      -6.9053      1.00000
     87      -6.8961      1.00000
     88      -6.5927      1.00000
     89      -6.5510      1.00000
     90      -6.4060      1.00000
     91      -6.3020      1.00000
     92      -6.2472      1.00000
     93      -6.2014      1.00000
     94      -6.0031      1.00000
     95      -5.5298      1.00000
     96      -5.4656      1.00000
     97      -5.3126      1.00000
     98      -5.2101      1.00000
     99      -5.0437      1.00000
    100      -4.7209      1.00000
    101      -4.6700      1.00000
    102      -4.4175      1.00000
    103      -4.1906      1.00000
    104      -3.8353      1.00000
    105      -3.6302      1.00000
    106      -3.4129      1.00000
    107      -2.2929      0.00000
    108      -1.5079      0.00000
    109      -1.2714      0.00000
    110      -1.2638      0.00000
    111      -1.0347      0.00000
    112      -0.9798      0.00000
    113      -0.8692      0.00000
    114      -0.8005      0.00000
    115      -0.2625      0.00000
    116       0.2029      0.00000
    117       0.2384      0.00000
    118       0.3583      0.00000
    119       0.6924      0.00000
    120       0.8930      0.00000
    121       0.9229      0.00000
    122       1.0419      0.00000
    123       1.1671      0.00000
    124       1.5101      0.00000
    125       1.5707      0.00000
    126       1.7115      0.00000
    127       1.7792      0.00000
    128       1.8311      0.00000
    129       1.9596      0.00000
    130       1.9962      0.00000
    131       2.1755      0.00000
    132       2.2728      0.00000
    133       2.4227      0.00000
    134       2.4499      0.00000
    135       2.5135      0.00000
    136       2.6005      0.00000
    137       2.6180      0.00000
    138       2.7054      0.00000
    139       2.7679      0.00000
    140       2.8725      0.00000
    141       3.0421      0.00000
    142       3.0919      0.00000
    143       3.1908      0.00000
    144       3.2422      0.00000
    145       3.2496      0.00000
    146       3.3024      0.00000
    147       3.3708      0.00000
    148       3.4593      0.00000
    149       3.5315      0.00000
    150       3.6970      0.00000
    151       3.7178      0.00000
    152       3.7523      0.00000
    153       3.8327      0.00000
    154       3.8936      0.00000
    155       3.9426      0.00000
    156       3.9850      0.00000
    157       4.0101      0.00000
    158       4.0307      0.00000
    159       4.0511      0.00000
    160       4.0833      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3892      1.00000
      2     -21.8303      1.00000
      3     -21.6414      1.00000
      4     -21.6069      1.00000
      5     -21.2785      1.00000
      6     -21.2323      1.00000
      7     -21.0570      1.00000
      8     -20.1711      1.00000
      9     -20.1258      1.00000
     10     -19.6165      1.00000
     11     -19.5910      1.00000
     12     -19.4159      1.00000
     13     -19.0942      1.00000
     14     -19.0561      1.00000
     15     -19.0519      1.00000
     16     -19.0393      1.00000
     17     -18.3667      1.00000
     18     -18.3474      1.00000
     19     -18.0170      1.00000
     20     -17.0718      1.00000
     21     -17.0240      1.00000
     22     -16.9500      1.00000
     23     -16.9362      1.00000
     24     -16.4746      1.00000
     25     -16.4627      1.00000
     26     -15.6095      1.00000
     27     -15.6089      1.00000
     28     -15.2499      1.00000
     29     -15.2382      1.00000
     30     -15.1914      1.00000
     31     -15.1015      1.00000
     32     -15.0688      1.00000
     33     -14.6982      1.00000
     34     -14.6974      1.00000
     35     -13.7250      1.00000
     36     -13.7249      1.00000
     37     -13.2355      1.00000
     38     -12.6238      1.00000
     39     -12.5804      1.00000
     40     -12.4548      1.00000
     41     -12.4494      1.00000
     42     -12.1053      1.00000
     43     -12.1005      1.00000
     44     -11.7210      1.00000
     45     -11.6831      1.00000
     46     -11.2450      1.00000
     47     -11.2248      1.00000
     48     -11.0177      1.00000
     49     -11.0062      1.00000
     50     -10.9276      1.00000
     51     -10.8993      1.00000
     52     -10.6328      1.00000
     53     -10.1723      1.00000
     54     -10.1493      1.00000
     55     -10.0858      1.00000
     56      -9.9890      1.00000
     57      -9.6963      1.00000
     58      -9.6891      1.00000
     59      -9.6711      1.00000
     60      -9.5927      1.00000
     61      -9.5678      1.00000
     62      -9.5524      1.00000
     63      -9.3128      1.00000
     64      -9.3004      1.00000
     65      -9.2818      1.00000
     66      -9.2429      1.00000
     67      -9.1221      1.00000
     68      -9.1127      1.00000
     69      -9.1112      1.00000
     70      -8.9397      1.00000
     71      -8.8754      1.00000
     72      -8.6050      1.00000
     73      -8.5866      1.00000
     74      -8.2722      1.00000
     75      -8.1014      1.00000
     76      -7.8678      1.00000
     77      -7.8436      1.00000
     78      -7.7908      1.00000
     79      -7.7649      1.00000
     80      -7.7562      1.00000
     81      -7.4383      1.00000
     82      -7.3344      1.00000
     83      -7.3231      1.00000
     84      -7.2651      1.00000
     85      -7.1662      1.00000
     86      -7.0153      1.00000
     87      -6.9859      1.00000
     88      -6.7168      1.00000
     89      -6.6920      1.00000
     90      -6.6315      1.00000
     91      -6.5897      1.00000
     92      -6.1175      1.00000
     93      -6.0590      1.00000
     94      -6.0443      1.00000
     95      -6.0282      1.00000
     96      -5.7482      1.00000
     97      -4.9682      1.00000
     98      -4.8372      1.00000
     99      -4.7093      1.00000
    100      -4.6736      1.00000
    101      -4.4778      1.00000
    102      -4.3454      1.00000
    103      -4.1111      1.00000
    104      -4.0540      1.00000
    105      -3.7496      1.00000
    106      -3.4585      1.00000
    107      -1.9493      0.00000
    108      -1.7724      0.00000
    109      -1.4812      0.00000
    110      -1.3563      0.00000
    111      -1.3375      0.00000
    112      -1.2932      0.00000
    113      -0.6800      0.00000
    114      -0.4717      0.00000
    115      -0.2360      0.00000
    116       0.0492      0.00000
    117       0.5897      0.00000
    118       0.6920      0.00000
    119       0.7678      0.00000
    120       1.0187      0.00000
    121       1.0962      0.00000
    122       1.1755      0.00000
    123       1.2493      0.00000
    124       1.3401      0.00000
    125       1.4399      0.00000
    126       1.6048      0.00000
    127       1.7586      0.00000
    128       1.8442      0.00000
    129       1.8572      0.00000
    130       1.8884      0.00000
    131       2.0375      0.00000
    132       2.2204      0.00000
    133       2.2418      0.00000
    134       2.2973      0.00000
    135       2.4832      0.00000
    136       2.6224      0.00000
    137       2.6357      0.00000
    138       2.7651      0.00000
    139       2.8027      0.00000
    140       2.8355      0.00000
    141       2.8502      0.00000
    142       2.8579      0.00000
    143       2.9369      0.00000
    144       3.1003      0.00000
    145       3.3173      0.00000
    146       3.3547      0.00000
    147       3.3918      0.00000
    148       3.4143      0.00000
    149       3.4348      0.00000
    150       3.6086      0.00000
    151       3.6473      0.00000
    152       3.6891      0.00000
    153       3.7382      0.00000
    154       3.9017      0.00000
    155       3.9333      0.00000
    156       3.9594      0.00000
    157       4.1088      0.00000
    158       4.2098      0.00000
    159       4.2724      0.00000
    160       4.2898      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1198      1.00000
      3     -21.9570      1.00000
      4     -21.4046      1.00000
      5     -21.0459      1.00000
      6     -21.0181      1.00000
      7     -20.4956      1.00000
      8     -20.4662      1.00000
      9     -20.2865      1.00000
     10     -20.2847      1.00000
     11     -19.9560      1.00000
     12     -19.8943      1.00000
     13     -18.8825      1.00000
     14     -18.8165      1.00000
     15     -18.3375      1.00000
     16     -18.3188      1.00000
     17     -18.1492      1.00000
     18     -18.1419      1.00000
     19     -17.8157      1.00000
     20     -17.7980      1.00000
     21     -17.2577      1.00000
     22     -17.2387      1.00000
     23     -17.1607      1.00000
     24     -17.1355      1.00000
     25     -16.1163      1.00000
     26     -15.8803      1.00000
     27     -15.8695      1.00000
     28     -15.8403      1.00000
     29     -15.2313      1.00000
     30     -14.5507      1.00000
     31     -14.5325      1.00000
     32     -14.2761      1.00000
     33     -13.9746      1.00000
     34     -13.9516      1.00000
     35     -13.8247      1.00000
     36     -13.8028      1.00000
     37     -13.6039      1.00000
     38     -13.5791      1.00000
     39     -13.3703      1.00000
     40     -12.6386      1.00000
     41     -12.1686      1.00000
     42     -12.1429      1.00000
     43     -12.0674      1.00000
     44     -12.0218      1.00000
     45     -11.6650      1.00000
     46     -11.6605      1.00000
     47     -11.1363      1.00000
     48     -11.1258      1.00000
     49     -10.7894      1.00000
     50     -10.7348      1.00000
     51     -10.5300      1.00000
     52     -10.2084      1.00000
     53     -10.2024      1.00000
     54     -10.1707      1.00000
     55     -10.0224      1.00000
     56      -9.9942      1.00000
     57      -9.9904      1.00000
     58      -9.8055      1.00000
     59      -9.7963      1.00000
     60      -9.7651      1.00000
     61      -9.7569      1.00000
     62      -9.4542      1.00000
     63      -9.4161      1.00000
     64      -9.0845      1.00000
     65      -9.0460      1.00000
     66      -9.0256      1.00000
     67      -8.9699      1.00000
     68      -8.8964      1.00000
     69      -8.7084      1.00000
     70      -8.6995      1.00000
     71      -8.5601      1.00000
     72      -8.5491      1.00000
     73      -8.4790      1.00000
     74      -8.4604      1.00000
     75      -8.4567      1.00000
     76      -8.3048      1.00000
     77      -8.0940      1.00000
     78      -8.0908      1.00000
     79      -7.9274      1.00000
     80      -7.8327      1.00000
     81      -7.6006      1.00000
     82      -7.5372      1.00000
     83      -7.4521      1.00000
     84      -7.3019      1.00000
     85      -6.9939      1.00000
     86      -6.9197      1.00000
     87      -6.8818      1.00000
     88      -6.5280      1.00000
     89      -6.5151      1.00000
     90      -6.4811      1.00000
     91      -6.4206      1.00000
     92      -5.9255      1.00000
     93      -5.9041      1.00000
     94      -5.7889      1.00000
     95      -5.7744      1.00000
     96      -5.3675      1.00000
     97      -5.3611      1.00000
     98      -5.2210      1.00000
     99      -5.2154      1.00000
    100      -5.1984      1.00000
    101      -4.7169      1.00000
    102      -4.4346      1.00000
    103      -4.1868      1.00000
    104      -3.8122      1.00000
    105      -3.5575      1.00000
    106      -3.2223      1.00000
    107      -2.5629      0.00000
    108      -1.4610      0.00000
    109      -1.2693      0.00000
    110      -1.1865      0.00000
    111      -1.1846      0.00000
    112      -0.6455      0.00000
    113      -0.5533      0.00000
    114      -0.4151      0.00000
    115      -0.3486      0.00000
    116      -0.0790      0.00000
    117      -0.0652      0.00000
    118       0.1252      0.00000
    119       0.5918      0.00000
    120       0.6259      0.00000
    121       0.8566      0.00000
    122       0.9889      0.00000
    123       1.0039      0.00000
    124       1.4934      0.00000
    125       1.6866      0.00000
    126       1.7815      0.00000
    127       1.8692      0.00000
    128       2.1233      0.00000
    129       2.1292      0.00000
    130       2.1848      0.00000
    131       2.2101      0.00000
    132       2.2515      0.00000
    133       2.3445      0.00000
    134       2.4971      0.00000
    135       2.4979      0.00000
    136       2.6720      0.00000
    137       2.8519      0.00000
    138       2.8605      0.00000
    139       2.9597      0.00000
    140       3.0210      0.00000
    141       3.0550      0.00000
    142       3.1409      0.00000
    143       3.1819      0.00000
    144       3.2497      0.00000
    145       3.2642      0.00000
    146       3.2851      0.00000
    147       3.3081      0.00000
    148       3.3587      0.00000
    149       3.4235      0.00000
    150       3.5579      0.00000
    151       3.5710      0.00000
    152       3.6521      0.00000
    153       3.6650      0.00000
    154       3.6923      0.00000
    155       3.7221      0.00000
    156       3.9016      0.00000
    157       3.9693      0.00000
    158       4.0475      0.00000
    159       4.0887      0.00000
    160       4.1967      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2825      1.00000
      2     -22.0788      1.00000
      3     -21.7201      1.00000
      4     -21.6814      1.00000
      5     -20.9824      1.00000
      6     -20.9355      1.00000
      7     -20.6110      1.00000
      8     -20.5795      1.00000
      9     -20.5661      1.00000
     10     -20.0325      1.00000
     11     -19.5127      1.00000
     12     -19.4834      1.00000
     13     -19.3116      1.00000
     14     -19.2987      1.00000
     15     -18.4494      1.00000
     16     -18.4070      1.00000
     17     -17.9274      1.00000
     18     -17.9075      1.00000
     19     -17.7656      1.00000
     20     -17.7215      1.00000
     21     -17.4416      1.00000
     22     -17.4235      1.00000
     23     -17.3387      1.00000
     24     -16.4707      1.00000
     25     -16.4604      1.00000
     26     -15.9704      1.00000
     27     -15.4108      1.00000
     28     -15.4100      1.00000
     29     -15.0959      1.00000
     30     -15.0928      1.00000
     31     -14.8533      1.00000
     32     -14.8414      1.00000
     33     -14.2976      1.00000
     34     -14.2545      1.00000
     35     -13.4440      1.00000
     36     -13.4008      1.00000
     37     -13.1751      1.00000
     38     -13.1739      1.00000
     39     -12.9855      1.00000
     40     -12.9766      1.00000
     41     -12.6108      1.00000
     42     -12.6089      1.00000
     43     -12.1970      1.00000
     44     -11.5789      1.00000
     45     -11.5384      1.00000
     46     -11.3133      1.00000
     47     -11.2833      1.00000
     48     -11.1420      1.00000
     49     -10.6906      1.00000
     50     -10.6631      1.00000
     51     -10.5436      1.00000
     52     -10.3222      1.00000
     53     -10.3148      1.00000
     54     -10.1753      1.00000
     55     -10.1214      1.00000
     56     -10.1080      1.00000
     57      -9.8110      1.00000
     58      -9.7519      1.00000
     59      -9.7519      1.00000
     60      -9.7027      1.00000
     61      -9.6987      1.00000
     62      -9.6464      1.00000
     63      -9.3528      1.00000
     64      -9.3513      1.00000
     65      -9.3179      1.00000
     66      -9.0272      1.00000
     67      -8.9618      1.00000
     68      -8.9575      1.00000
     69      -8.7753      1.00000
     70      -8.5919      1.00000
     71      -8.5858      1.00000
     72      -8.4227      1.00000
     73      -8.3494      1.00000
     74      -8.3223      1.00000
     75      -8.3023      1.00000
     76      -8.2664      1.00000
     77      -8.2548      1.00000
     78      -8.2399      1.00000
     79      -7.9254      1.00000
     80      -7.7360      1.00000
     81      -7.3792      1.00000
     82      -7.3499      1.00000
     83      -7.3124      1.00000
     84      -7.2171      1.00000
     85      -7.1589      1.00000
     86      -7.0681      1.00000
     87      -6.9602      1.00000
     88      -6.9072      1.00000
     89      -6.6140      1.00000
     90      -6.5565      1.00000
     91      -6.2718      1.00000
     92      -5.9953      1.00000
     93      -5.9589      1.00000
     94      -5.6741      1.00000
     95      -5.6474      1.00000
     96      -5.3855      1.00000
     97      -5.3150      1.00000
     98      -5.2930      1.00000
     99      -5.2123      1.00000
    100      -5.2003      1.00000
    101      -4.5028      1.00000
    102      -4.3312      1.00000
    103      -3.9949      1.00000
    104      -3.8843      1.00000
    105      -3.7873      1.00000
    106      -3.4374      1.00000
    107      -2.0334      0.00000
    108      -1.8648      0.00000
    109      -1.2171      0.00000
    110      -1.1861      0.00000
    111      -1.0365      0.00000
    112      -0.7731      0.00000
    113      -0.6792      0.00000
    114      -0.6606      0.00000
    115      -0.6102      0.00000
    116      -0.1040      0.00000
    117       0.2218      0.00000
    118       0.2380      0.00000
    119       0.7724      0.00000
    120       0.9856      0.00000
    121       1.0740      0.00000
    122       1.2406      0.00000
    123       1.2506      0.00000
    124       1.3413      0.00000
    125       1.5798      0.00000
    126       1.5845      0.00000
    127       1.7138      0.00000
    128       1.7953      0.00000
    129       1.9504      0.00000
    130       1.9754      0.00000
    131       2.0685      0.00000
    132       2.2797      0.00000
    133       2.3427      0.00000
    134       2.4249      0.00000
    135       2.5468      0.00000
    136       2.6325      0.00000
    137       2.7530      0.00000
    138       2.8167      0.00000
    139       2.8493      0.00000
    140       2.8773      0.00000
    141       3.0560      0.00000
    142       3.1063      0.00000
    143       3.1616      0.00000
    144       3.2294      0.00000
    145       3.3748      0.00000
    146       3.4190      0.00000
    147       3.5156      0.00000
    148       3.5651      0.00000
    149       3.5919      0.00000
    150       3.6181      0.00000
    151       3.6580      0.00000
    152       3.7391      0.00000
    153       3.7512      0.00000
    154       3.7768      0.00000
    155       3.8036      0.00000
    156       3.8773      0.00000
    157       4.0244      0.00000
    158       4.0965      0.00000
    159       4.1792      0.00000
    160       4.2199      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0416   -7.3897    4.1995   -1.2760   -0.2391   17.5956    0.1447   -0.5294    0.6316   -0.4632
x    -3.0928   -0.0374   -0.0631    0.0619   -0.0092   -2.9771   -0.0114   -0.0069    0.0048    0.0016
x    -0.0964    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0416    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0089    0.0382    0.0380
y    -0.0451   -3.2457   -0.5412   -0.1625   -1.1877   -0.6058
z   204.0416    1.1017   -0.3118    0.0495    0.0191    0.0866   -0.0009    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1128    0.0003    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.8123
z    -0.2192    0.2311   -0.0546    0.0615   -0.0901    0.0009
 total charge-density along one line
x   212.0000  -10.2205    6.1481   -2.0862   -0.4749   19.5128   -0.9990    0.4779   -0.0477   -0.1240
x    -2.6460   -0.0276   -0.0609    0.0847   -0.0534   -2.2243   -0.0255   -0.0023    0.0050    0.0021
x    -0.0895    0.0058   -0.0049    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2205    6.1481   -2.0862   -0.4749   19.5128   -0.9990    0.4779   -0.0477   -0.1240
y    -2.6460   -0.0276   -0.0609    0.0847   -0.0534   -2.2243   -0.0255   -0.0023    0.0050    0.0021
y    -0.0895    0.0058   -0.0049    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.3245  188.8998 -170.1583  154.0769 -140.5329  126.8407 -111.4668   95.1152  -79.3090
z    64.9281  -52.1283   41.0243  -31.9518   25.0743  -20.0030   15.9706  -12.3719    9.0948   -6.3671
z     4.3647   -2.9972    2.0121   -1.2205    0.5908   -0.1599   -0.0896    0.2452   -0.3845    0.5109
z    -0.5763    0.5534   -0.4734    0.3957   -0.3539    0.3356   -0.3105    0.2654   -0.2128    0.1706
z    -0.1440    0.1248   -0.1046    0.0830   -0.0654    0.0546   -0.0485    0.0427   -0.0357    0.0289
z    -0.0241    0.0212   -0.0188    0.0160   -0.0130    0.0104   -0.0083    0.0065   -0.0049    0.0035
z    -0.0025    0.0016   -0.0006   -0.0002    0.0006   -0.0007    0.0006   -0.0007    0.0009   -0.0009
z     0.0006   -0.0003    0.0001    0.0000    0.0000    0.0001   -0.0003    0.0004   -0.0004    0.0004
z    -0.0004    0.0004   -0.0003    0.0002   -0.0002    0.0002   -0.0001    0.0000    0.0000   -0.0001
z     0.0001   -0.0001    0.0001   -0.0002    0.0002   -0.0002    0.0002   -0.0002    0.0001   -0.0001
z     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.837   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.002   0.000   0.130   0.000   0.000   0.206   0.000
 -0.052   0.000 -11.099   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.152   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.831   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.206   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.185   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.018   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.270   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.052   0.000   0.303   0.000   0.028  -0.193  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.310   0.000   0.628   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.027  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.131   0.000  -0.033  -0.279   0.082   0.000  -0.093   0.000   0.000
  0.000   0.270   0.000  -0.310   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.587  -0.238   0.000   0.062   0.000   0.000
  0.000  -0.310   0.000   0.628   0.000   0.000  -0.190   0.000   0.375   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.028   0.000   0.027  -0.033   0.000   0.077   0.000   0.039   0.163  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.193   0.000  -0.051  -0.279   0.000   0.587   0.000   0.163   1.367  -0.419   0.000   0.284   0.000   0.000
 -0.018   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.174   0.000  -0.036   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.093   0.000   0.062   0.000   0.053   0.284  -0.036   0.000   0.262   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.068   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.030   8.933
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.647
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.425   8.030 142.323
 


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


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


    CHARGE:  VPU time   90.36: CPU time   45.53
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  362.69: CPU time  181.70
    STRESS:  VPU time 1091.40: CPU time  548.22
    FORCOR:  VPU time    7.37: CPU time    7.37
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force =-0.3071227E-05[-0.503E-05,-0.112E-05]  d Energy =-0.3877298E-05 0.806E-06
 d Force = 0.2244658E-01[ 0.225E-01, 0.224E-01]  d Ewald  = 0.9963791E+00-0.974E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726743 eV

  energy  without entropy=     -471.726743  energy(sigma->0) =     -471.726743
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40819.40  40777.60 -47517.06    -36.20      0.00      0.00
  Hartree  40244.64  40228.42 -39502.60    -14.04      0.00      0.00
  E(xc)     -779.43   -779.72   -807.36     -0.25      0.00      0.00
  Local   -83348.11 -83299.03  84334.51     42.51      0.00      0.00
  n-local   -216.84   -215.72   -203.52      0.70      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.43   3176.10   3583.89      3.49      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.19     -0.09     -0.39      0.08      0.00      0.00
  in kB       -0.12     -0.06     -0.24      0.05      0.00      0.00
  external pressure =       -0.14 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345749552  0.000635007  0.000000000     0.080997132  0.046758229  0.000000000
    -6.172331485 10.692046234  0.000000000    -0.000004810  0.093524690  0.000000000
     0.000000000  0.000000000 19.984522763     0.000000000  0.000000000  0.050038723

  length of vectors
    12.345749569 12.345749415 19.984522763     0.093524689  0.093524690  0.050038723


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.383E-05 -.492E-04 -.951E+03   0.420E-05 -.275E-04 0.959E+03   -.211E-20 0.254E-20 -.867E+01   -.157E-07 0.887E-08 -.167E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.887E+00 -.253E+01   -.378E-04 0.211E-04 -.135E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.887E+00 -.253E+01   0.378E-04 -.211E-04 -.135E-03
   -.206E+01 0.119E+01 0.139E+02   0.207E+01 -.119E+01 -.139E+02   0.224E-04 -.129E-04 -.303E-01   -.119E-02 0.685E-03 -.271E-02
   0.612E+01 0.684E+01 0.166E+02   -.611E+01 -.686E+01 -.165E+02   0.335E-02 0.192E-01 -.367E-01   -.242E-02 0.911E-03 -.215E-02
   0.111E+02 0.505E+01 0.164E+02   -.111E+02 -.506E+01 -.164E+02   0.202E-01 0.718E-02 -.512E-01   -.437E-03 -.408E-03 0.946E-03
   0.464E+01 -.874E+00 0.152E+02   -.466E+01 0.881E+00 -.152E+02   0.174E-01 -.960E-02 -.107E-01   -.104E-02 0.422E-03 0.246E-02
   -.306E+01 -.250E+01 0.137E+02   0.306E+01 0.249E+01 -.137E+02   0.144E-02 0.122E-02 -.464E-02   -.399E-03 0.105E-02 0.103E-02
   0.634E+00 0.390E+01 0.137E+02   -.631E+00 -.390E+01 -.137E+02   -.334E-03 -.186E-02 -.464E-02   -.112E-02 -.186E-03 0.103E-02
   0.242E+01 0.187E+02 0.224E+02   -.242E+01 -.188E+02 -.224E+02   -.803E-03 0.103E+00 -.504E-01   -.799E-03 -.115E-02 -.628E-03
   0.225E+02 0.213E+02 0.406E+02   -.226E+02 -.215E+02 -.405E+02   0.758E-01 0.260E+00 -.639E-01   0.688E-03 -.879E-03 -.111E-02
   0.265E+02 -.341E+01 0.260E+02   -.268E+02 0.352E+01 -.259E+02   0.266E+00 -.107E+00 -.428E-01   -.972E-03 0.340E-03 -.565E-03
   0.903E+01 -.521E+01 0.156E+02   -.907E+01 0.524E+01 -.156E+02   0.449E-01 -.259E-01 -.140E-01   -.905E-03 0.516E-03 0.865E-03
   0.308E+01 -.358E+01 0.152E+02   -.309E+01 0.359E+01 -.152E+02   0.170E-01 -.103E-01 -.107E-01   -.889E-03 0.687E-03 0.245E-02
   -.588E+01 0.135E+02 0.178E+02   0.588E+01 -.136E+02 -.177E+02   -.210E-02 0.708E-01 -.386E-01   -.473E-03 0.330E-03 0.987E-03
   -.118E+02 0.359E+02 0.466E+02   0.118E+02 -.365E+02 -.469E+02   -.302E-01 0.603E+00 0.296E+00   -.184E-03 0.536E-03 0.253E-03
   0.234E+02 -.135E+02 0.911E+02   -.241E+02 0.139E+02 -.931E+02   0.630E+00 -.364E+00 0.201E+01   -.896E-03 0.515E-03 0.199E-02
   0.162E+02 -.213E+02 0.260E+02   -.164E+02 0.214E+02 -.259E+02   0.226E+00 -.177E+00 -.428E-01   -.783E-03 0.664E-03 -.569E-03
   0.118E+01 -.121E+02 0.164E+02   -.119E+01 0.122E+02 -.164E+02   0.388E-02 -.211E-01 -.512E-01   0.138E-03 0.582E-03 0.941E-03
   -.410E+01 0.190E+01 0.139E+02   0.410E+01 -.191E+01 -.139E+02   0.296E-03 0.988E-02 -.376E-01   -.421E-03 0.281E-03 0.209E-02
   -.191E+02 0.110E+02 0.228E+02   0.191E+02 -.110E+02 -.228E+02   -.509E-01 0.294E-01 -.367E-01   -.311E-03 0.183E-03 -.108E-02
   -.370E+02 -.773E+01 0.466E+02   0.375E+02 0.801E+01 -.469E+02   -.537E+00 -.275E+00 0.296E+00   -.553E-03 -.110E-03 0.256E-03
   -.716E+01 -.301E+02 0.406E+02   0.734E+01 0.303E+02 -.405E+02   -.187E+00 -.195E+00 -.639E-01   0.111E-02 -.161E-03 -.111E-02
   -.286E+01 -.872E+01 0.166E+02   0.289E+01 0.872E+01 -.165E+02   -.150E-01 -.125E-01 -.367E-01   -.200E-02 0.164E-02 -.215E-02
   0.136E+01 -.787E+00 0.132E+02   -.136E+01 0.786E+00 -.131E+02   0.231E-02 -.133E-02 -.249E-01   -.146E-02 0.843E-03 -.916E-03
   -.370E+01 0.260E+01 0.139E+02   0.371E+01 -.260E+01 -.139E+02   -.841E-02 -.520E-02 -.376E-01   -.452E-03 0.229E-03 0.209E-02
   -.146E+02 -.165E+01 0.178E+02   0.147E+02 0.169E+01 -.177E+02   -.624E-01 -.336E-01 -.386E-01   -.521E-03 0.243E-03 0.993E-03
   -.150E+02 -.115E+02 0.224E+02   0.151E+02 0.115E+02 -.224E+02   -.893E-01 -.506E-01 -.504E-01   0.598E-03 0.126E-02 -.625E-03
   0.286E+01 0.872E+01 0.166E+02   -.289E+01 -.872E+01 -.165E+02   0.150E-01 0.125E-01 -.367E-01   0.200E-02 -.164E-02 -.215E-02
   0.150E+02 0.115E+02 0.224E+02   -.151E+02 -.115E+02 -.224E+02   0.893E-01 0.506E-01 -.504E-01   -.598E-03 -.126E-02 -.625E-03
   0.146E+02 0.165E+01 0.178E+02   -.147E+02 -.169E+01 -.177E+02   0.624E-01 0.336E-01 -.386E-01   0.521E-03 -.243E-03 0.993E-03
   0.370E+01 -.260E+01 0.139E+02   -.371E+01 0.260E+01 -.139E+02   0.841E-02 0.520E-02 -.376E-01   0.452E-03 -.229E-03 0.209E-02
   -.136E+01 0.788E+00 0.132E+02   0.136E+01 -.786E+00 -.131E+02   -.231E-02 0.133E-02 -.249E-01   0.146E-02 -.843E-03 -.916E-03
   -.118E+01 0.121E+02 0.164E+02   0.119E+01 -.122E+02 -.164E+02   -.388E-02 0.211E-01 -.512E-01   -.138E-03 -.582E-03 0.941E-03
   0.716E+01 0.301E+02 0.406E+02   -.734E+01 -.303E+02 -.405E+02   0.187E+00 0.195E+00 -.639E-01   -.111E-02 0.161E-03 -.111E-02
   0.370E+02 0.773E+01 0.466E+02   -.375E+02 -.801E+01 -.469E+02   0.537E+00 0.275E+00 0.296E+00   0.553E-03 0.110E-03 0.256E-03
   0.191E+02 -.110E+02 0.228E+02   -.191E+02 0.110E+02 -.228E+02   0.509E-01 -.294E-01 -.367E-01   0.311E-03 -.183E-03 -.108E-02
   0.410E+01 -.190E+01 0.139E+02   -.410E+01 0.191E+01 -.139E+02   -.296E-03 -.988E-02 -.376E-01   0.421E-03 -.281E-03 0.209E-02
   -.308E+01 0.358E+01 0.152E+02   0.309E+01 -.359E+01 -.152E+02   -.170E-01 0.103E-01 -.107E-01   0.889E-03 -.687E-03 0.245E-02
   -.162E+02 0.213E+02 0.260E+02   0.164E+02 -.214E+02 -.259E+02   -.226E+00 0.177E+00 -.428E-01   0.783E-03 -.664E-03 -.569E-03
   -.234E+02 0.135E+02 0.911E+02   0.241E+02 -.139E+02 -.931E+02   -.630E+00 0.364E+00 0.201E+01   0.896E-03 -.515E-03 0.199E-02
   0.118E+02 -.359E+02 0.466E+02   -.118E+02 0.365E+02 -.469E+02   0.302E-01 -.603E+00 0.296E+00   0.184E-03 -.536E-03 0.253E-03
   0.588E+01 -.135E+02 0.178E+02   -.588E+01 0.136E+02 -.177E+02   0.210E-02 -.708E-01 -.386E-01   0.473E-03 -.330E-03 0.987E-03
   -.634E+00 -.390E+01 0.137E+02   0.631E+00 0.390E+01 -.137E+02   0.334E-03 0.186E-02 -.464E-02   0.112E-02 0.186E-03 0.103E-02
   -.903E+01 0.521E+01 0.156E+02   0.907E+01 -.524E+01 -.156E+02   -.449E-01 0.259E-01 -.140E-01   0.905E-03 -.516E-03 0.865E-03
   -.265E+02 0.341E+01 0.260E+02   0.268E+02 -.352E+01 -.259E+02   -.266E+00 0.107E+00 -.428E-01   0.972E-03 -.340E-03 -.565E-03
   -.225E+02 -.213E+02 0.406E+02   0.226E+02 0.215E+02 -.405E+02   -.758E-01 -.260E+00 -.639E-01   -.688E-03 0.879E-03 -.111E-02
   -.242E+01 -.187E+02 0.224E+02   0.242E+01 0.188E+02 -.224E+02   0.803E-03 -.103E+00 -.504E-01   0.799E-03 0.115E-02 -.628E-03
   0.206E+01 -.119E+01 0.139E+02   -.207E+01 0.119E+01 -.139E+02   -.224E-04 0.129E-04 -.303E-01   0.119E-02 -.685E-03 -.271E-02
   0.306E+01 0.250E+01 0.137E+02   -.306E+01 -.249E+01 -.137E+02   -.144E-02 -.122E-02 -.464E-02   0.399E-03 -.105E-02 0.103E-02
   -.464E+01 0.874E+00 0.152E+02   0.466E+01 -.881E+00 -.152E+02   -.174E-01 0.960E-02 -.107E-01   0.104E-02 -.422E-03 0.246E-02
   -.111E+02 -.505E+01 0.164E+02   0.111E+02 0.506E+01 -.164E+02   -.202E-01 -.718E-02 -.512E-01   0.437E-03 0.408E-03 0.946E-03
   -.612E+01 -.684E+01 0.166E+02   0.611E+01 0.686E+01 -.165E+02   -.335E-02 -.192E-01 -.367E-01   0.242E-02 -.911E-03 -.215E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.298E-03 0.101E+02   -.684E-13 0.171E-12 -.409E-12   0.242E-15 0.160E-15 -.101E+02   -.194E-07 0.122E-07 0.763E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85217      6.05910     12.33831         0.000000      0.000000      0.008320
      1.07800      6.50607     13.60054         0.001120     -0.000647     -0.006529
      2.62634      5.61213     13.60054        -0.001120      0.000647     -0.006529
      0.00004     -0.00002      9.97858         0.005278     -0.003047     -0.006612
     -1.23488      2.13695      9.97917         0.007329     -0.001627     -0.005528
     -2.47007      4.27660      9.98567        -0.000092      0.000926      0.001743
     -3.70393      6.41540      9.98320         0.003941     -0.002376      0.005634
     -4.93774      8.55367      9.98057         0.000721     -0.001438      0.003054
      2.46918      0.00000      9.98057         0.001606      0.000094      0.003054
      1.23394      2.13671      9.98381         0.000001      0.003462     -0.005208
     -0.00261      4.27101      9.99691        -0.005758      0.004792     -0.000469
     -1.23847      6.41596     10.00890         0.000892      0.000941     -0.004030
     -2.46920      8.55404      9.98669         0.003447     -0.001990      0.001110
      4.93789      0.00063      9.98320         0.004029     -0.002225      0.005634
      3.70435      2.13676      9.99136        -0.000576     -0.001124      0.003904
      2.47009      4.26857     10.03064        -0.003682      0.000261     -0.000046
      1.22911      6.41883     10.04108        -0.002272      0.001312      0.003373
     -0.00220      8.55725     10.00890        -0.000369     -0.001243     -0.004030
      7.40707      0.00148      9.98567        -0.000848     -0.000383      0.001743
      6.17278      2.13879      9.98293         0.001024      0.000054      0.003829
      4.93928      4.27676     10.00037        -0.000317      0.000183      0.000054
      3.71178      6.41924     10.03064        -0.002067      0.003058     -0.000046
      2.47331      8.55943      9.99691        -0.007029      0.002590     -0.000469
      9.87766      0.00160      9.97917         0.005073     -0.005534     -0.005528
      8.64201      2.13899      9.97900         0.003409     -0.001968     -0.001321
      7.40757      4.27750      9.98293         0.000465     -0.000914      0.003829
      6.17510      6.41624      9.99136         0.000686      0.001061      0.003904
      4.93994      8.55570      9.98381        -0.002998     -0.001732     -0.005208
     -0.00099      1.42456      9.97917        -0.005073      0.005534     -0.005528
     -1.23560      3.56250      9.98381         0.002998      0.001732     -0.005208
     -2.47076      5.70196      9.99136        -0.000686     -0.001061      0.003904
     -3.70322      7.84070      9.98293        -0.000465      0.000914      0.003829
     -4.93767      9.97921      9.97900        -0.003409      0.001968     -0.001321
      2.46960      1.42468      9.98567         0.000848      0.000383      0.001743
      1.23103      3.55877      9.99691         0.007029     -0.002590     -0.000469
     -0.00744      5.69897     10.03064         0.002067     -0.003058     -0.000046
     -1.23493      7.84144     10.00037         0.000317     -0.000183      0.000054
     -2.46844      9.97941      9.98293        -0.001024     -0.000054      0.003829
      4.93879      1.42552      9.98320        -0.004029      0.002225      0.005634
      3.70654      3.56096     10.00890         0.000369      0.001243     -0.004030
      2.47523      5.69938     10.04108         0.002272     -0.001312      0.003373
      1.23425      7.84964     10.03064         0.003682     -0.000261     -0.000046
      0.00000      9.98144      9.99136         0.000576      0.001124      0.003904
      7.40749      1.42615      9.98057        -0.001606     -0.000094      0.003054
      6.17354      3.56416      9.98669        -0.003447      0.001990      0.001110
      4.94281      5.70224     10.00890        -0.000892     -0.000941     -0.004030
      3.70695      7.84719      9.99691         0.005758     -0.004792     -0.000469
      2.47040      9.98149      9.98381        -0.000001     -0.003462     -0.005208
      9.87663      1.42618      9.97858        -0.005278      0.003047     -0.006612
      8.64208      3.56453      9.98057        -0.000721      0.001438      0.003054
      7.40827      5.70281      9.98320        -0.003941      0.002376      0.005634
      6.17441      7.84160      9.98567         0.000092     -0.000926      0.001743
      4.93922      9.98126      9.97917        -0.007329      0.001627     -0.005528
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000298      0.008791


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




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


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  VPU time 4202.56: CPU time 2198.95
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.259   8.030   8.933
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.647
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.425   8.030 142.323
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 
 BZINTS: Fermi energy: -3.206469;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):   136070.040
                            User time (sec):   132083.170
                          System time (sec):     3986.870
                         Elapsed time (sec):    69932.857
  
                   Maximum memory used (kb):           0.
                   Average memory used (kb):           0.
  
                          Minor page faults:  -1774406088
                          Major page faults:            1
                 Voluntary context switches:       455604
