 vasp.4.6.27 26Jun05 complex 
 executed on             LinuxIFC date 2012.08.29  09:57:30
 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_c_per                            
  positions in direct lattice
  velocities in cartesian coordinates
 


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 ion  position               nearest neighbor table
   1  0.433  0.567  0.621-   2 1.66   3 1.66  41 2.18  17 2.18
   2  0.567  0.701  0.626-   1 1.66
   3  0.299  0.433  0.626-   1 1.66
   4  1.000  0.000  0.494-  33 1.43  53 1.43  29 1.43
   5  0.000  0.200  0.494-  29 1.42  49 1.43  30 1.43
   6  0.000  0.400  0.497-  31 1.42  30 1.43  50 1.43
   7  1.000  0.600  0.497-  31 1.42  51 1.42  32 1.42
   8  0.000  0.800  0.496-  32 1.42  33 1.43  52 1.43
   9  0.200  1.000  0.496-  38 1.42  33 1.43  34 1.43
  10  0.200  0.200  0.496-  35 1.42  34 1.43  29 1.43
  11  0.200  0.400  0.500-  36 1.42  30 1.42  35 1.43
  12  0.200  0.600  0.502-  36 1.42  31 1.43  37 1.43
  13  0.200  0.800  0.498-  37 1.42  38 1.43  32 1.43
  14  0.400  0.000  0.497-  43 1.42  39 1.42  38 1.42
  15  0.400  0.200  0.498-  34 1.42  39 1.42  40 1.43
  16  0.399  0.398  0.506-  40 1.42  35 1.42  41 1.45
  17  0.399  0.601  0.518-  42 1.45  36 1.45  41 1.47   1 2.18
  18  0.400  0.800  0.502-  42 1.42  43 1.43  37 1.43
  19  0.600  1.000  0.497-  43 1.42  48 1.43  44 1.43
  20  0.600  0.200  0.497-  44 1.42  39 1.42  45 1.43
  21  0.600  0.400  0.501-  45 1.42  46 1.43  40 1.43
  22  0.602  0.601  0.506-  46 1.42  47 1.42  41 1.45
  23  0.600  0.800  0.500-  42 1.42  48 1.42  47 1.43
  24  0.800  1.000  0.494-  53 1.42  49 1.43  48 1.43
  25  0.800  0.200  0.495-  44 1.43  50 1.43  49 1.43
  26  0.800  0.400  0.497-  50 1.42  51 1.42  45 1.43
  27  0.800  0.600  0.498-  52 1.42  51 1.42  46 1.43
  28  0.800  0.800  0.496-  47 1.42  52 1.43  53 1.43
  29  0.067  0.133  0.494-   5 1.42   4 1.43  10 1.43
  30  0.067  0.334  0.496-  11 1.42   6 1.43   5 1.43
  31  0.066  0.533  0.498-   6 1.42   7 1.42  12 1.43
  32  0.067  0.733  0.497-   8 1.42   7 1.42  13 1.43
  33  0.067  0.933  0.495-   8 1.43   9 1.43   4 1.43
  34  0.267  0.133  0.497-  15 1.42  10 1.43   9 1.43
  35  0.267  0.333  0.500-  16 1.42  10 1.42  11 1.43
  36  0.265  0.533  0.506-  12 1.42  11 1.42  17 1.45
  37  0.267  0.733  0.501-  13 1.42  12 1.43  18 1.43
  38  0.267  0.933  0.497-   9 1.42  14 1.42  13 1.43
  39  0.467  0.133  0.497-  15 1.42  14 1.42  20 1.42
  40  0.466  0.333  0.502-  16 1.42  15 1.43  21 1.43
  41  0.468  0.532  0.518-  16 1.45  22 1.45  17 1.47   1 2.18
  42  0.467  0.735  0.506-  18 1.42  23 1.42  17 1.45
  43  0.467  0.934  0.498-  19 1.42  14 1.42  18 1.43
  44  0.667  0.133  0.496-  20 1.42  25 1.43  19 1.43
  45  0.666  0.334  0.498-  21 1.42  26 1.43  20 1.43
  46  0.667  0.534  0.502-  22 1.42  27 1.43  21 1.43
  47  0.667  0.733  0.500-  22 1.42  28 1.42  23 1.43
  48  0.666  0.933  0.496-  23 1.42  19 1.43  24 1.43
  49  0.867  0.133  0.494-  25 1.43   5 1.43  24 1.43
  50  0.867  0.333  0.496-  26 1.42  25 1.43   6 1.43
  51  0.867  0.533  0.497-  27 1.42   7 1.42  26 1.42
  52  0.867  0.733  0.497-  27 1.42  28 1.43   8 1.43
  53  0.867  0.933  0.494-  24 1.42   4 1.43  28 1.43
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =    12.3424939954
 B/A-ratio  =     1.7316228464
 C/A-ratio  =     1.6205143537
  
  Lattice vectors:
  
 A1 = (  12.3402069207,   0.0013244438,   0.0000000000)
 A2 = (  -6.1689630971,  10.6875907348,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  20.0011886795)
 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
  0.016206  0.009354  0.000000      4.000000
  0.032412  0.018709  0.000000      4.000000
  0.016204  0.028066  0.000000      2.000000
  0.032410  0.037421  0.000000      4.000000
 -0.032414  0.000003  0.000000      4.000000
 -0.016208  0.009358  0.000000      2.000000
  0.032408  0.056133  0.000000      2.000000
 -0.032416  0.018716  0.000000      2.000000
 
 TETIRR: Found     39 inequivalent tetrahedra from      150


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




 Dimension of arrays:
   k-Points           NKPTS =      9   number of bands    NBANDS=    160
   number of dos      NEDOS =    301   number of ions     NIONS =     53
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = ******
   max r-space proj   IRMAX =   5439   max aug-charges    IRDMAX=  12798
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  150
   dimension x,y,z NGXF=   140 NGYF=  140 NGZF=  224
   support grid    NGXF=   140 NGYF=  140 NGZF=  224
   ions per type =               1   2  50
 NGX,Y,Z   is equivalent  to a cutoff of  12.12, 12.12, 12.47 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  18.86, 18.86, 18.62 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  146
 SYSTEM =  g55pt                                   
 POSCAR =  g55ptB_c_per                            

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

 Electronic Relaxation 1
   ENCUT  =  500.0 eV  36.75 Ry    6.06 a.u.  22.50 22.50 36.47*2*pi/ulx,y,z
   ENINI  =  500.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-03   stopping-criterion for ELM
   LREAL  =      T    real-space projection
   LCOMPAT=      F    compatible to vasp.4.4
   LREAL_COMPAT= F    compatible to vasp.4.5.1-3
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =   -0.00040  -0.00040  -0.00040
 Ionic relaxation
   EDIFFG = -.1E-01   stopping-criterion for IOM
   NSW    =    200    number of steps for IOM
   NBLOCK =      1;   KBLOCK =    200    inner block; outer block 
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      4    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  =   0.50    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.348E-26a.u.
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

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

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

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

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

   TIME   =   0.10     timestep for ELM

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

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


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



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


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


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


  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.340206921  0.001324444  0.000000000     0.081030898  0.046771685  0.000000000
    -6.168963097 10.687590735  0.000000000    -0.000010042  0.093560661  0.000000000
     0.000000000  0.000000000 20.001188680     0.000000000  0.000000000  0.049997028

  length of vectors
    12.340206992 12.340206700 20.001188680     0.093560659  0.093560662  0.049997028


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.353356803 -0.005556208  0.000000000     0.080970705  0.046797098  0.000000000
    -6.181496862 10.695538525  0.000000000     0.000042063  0.093521239  0.000000000
     0.000000000  0.000000000 19.971479266     0.000000000  0.000000000  0.050071404

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.01620618  0.00935434  0.00000000       0.160
   0.03241236  0.01870867  0.00000000       0.160
   0.01620417  0.02806647  0.00000000       0.080
   0.03241035  0.03742081  0.00000000       0.160
  -0.03241437  0.00000346  0.00000000       0.160
  -0.01620819  0.00935780  0.00000000       0.080
   0.03240834  0.05613294  0.00000000       0.080
  -0.03241638  0.01871559  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  0.62059401
   0.56745831  0.70079162  0.62625992
   0.29920836  0.43254176  0.62625992
   0.99999034  0.00000966  0.49399057
   0.00014579  0.20007153  0.49425492
   0.00001836  0.40007326  0.49668437
   0.99995787  0.59998801  0.49714912
   0.00011859  0.79995078  0.49597973
   0.20004923  0.99988141  0.49597973
   0.20026899  0.20029413  0.49627038
   0.19991279  0.40033598  0.50040328
   0.19961645  0.59978710  0.50179249
   0.20016945  0.79983057  0.49840099
   0.40001202  0.00004213  0.49714912
   0.39985832  0.19968703  0.49810001
   0.39937748  0.39807589  0.50643097
   0.39897146  0.60102857  0.51783501
   0.40021293  0.80038356  0.50179249
   0.59992677  0.99998164  0.49668437
   0.59994547  0.19991507  0.49720337
   0.60015506  0.39984497  0.50142426
   0.60192414  0.60062255  0.50643097
   0.59966405  0.80008723  0.50040328
   0.79992848  0.99985421  0.49425492
   0.79997592  0.20002410  0.49510700
   0.80008495  0.40005456  0.49720337
   0.80031298  0.60014171  0.49810001
   0.79970589  0.79973102  0.49627038
   0.06673820  0.13347913  0.49425492
   0.06696080  0.33360233  0.49627038
   0.06635370  0.53319167  0.49810001
   0.06658174  0.73327880  0.49720337
   0.06669076  0.93330924  0.49510700
   0.26673993  0.13335170  0.49668437
   0.26700265  0.33324613  0.50040328
   0.26474257  0.53271083  0.50643097
   0.26651164  0.73348839  0.50142426
   0.26672123  0.93341827  0.49720337
   0.46665465  0.13329121  0.49714912
   0.46645374  0.33294979  0.50179249
   0.46769522  0.53230481  0.51783501
   0.46728920  0.73525746  0.50643097
   0.46680836  0.93364631  0.49810001
   0.66661746  0.13345193  0.49597973
   0.66649724  0.33350279  0.49840099
   0.66705024  0.53354629  0.50179249
   0.66675390  0.73299738  0.50040328
   0.66639770  0.93303921  0.49627038
   0.86667633  0.13332368  0.49399057
   0.86654808  0.33338257  0.49597973
   0.86670881  0.53334538  0.49714912
   0.86664831  0.73326010  0.49668437
   0.86652088  0.93326181  0.49425492
 
 position of ions in cartesian coordinates  (Angst):
   1.85167714  6.05687562 12.41261797
   2.67939534  7.49052562 12.52594291
   1.02395894  4.62322562 12.52594291
  12.34002813  0.00142767  9.88039854
  -1.23243478  2.13828284  9.88568599
  -2.46781055  4.27581924  9.93427771
   8.63838312  6.41375066  9.94357331
  -4.93340337  8.54954672  9.92018410
  -3.69958256 10.68658820  9.92018410
   1.23575374  2.14092692  9.92599757
  -0.00269269  4.27889184 10.00866036
  -1.23675614  6.41054342 10.03644622
  -2.46399288  8.54852689  9.96861227
   4.93597121  0.00098009  9.94357331
   3.70247242  2.13470289  9.96259227
   2.47268522  4.25500116 10.12922133
   1.21566725  6.42407582 10.35731580
   0.00117373  8.55470200 10.03644622
   1.23437071 10.68818905  9.93427771
   6.17018261  2.13740503  9.94465846
   4.93940885  4.27417422 10.02908113
   3.72265006  6.42000525 10.12922133
   2.46426994  8.55179905 10.00866036
   3.70321930 10.68709202  9.88568599
   8.63792707  2.13883522  9.90272855
   7.40529199  4.27667903  9.94465846
   6.17377570  6.41512898  9.96259227
   4.93502496  8.54825701  9.92599757
   0.00013533  1.42665873  9.88568599
  -1.23167041  3.56549390  9.92599757
  -2.47042134  5.69862225  9.96259227
  -3.70193745  7.83707188  9.94465846
  -4.93457243  9.97491554  9.90272855
   2.46898421  1.42556170  9.93427771
   1.23908489  3.56195186 10.00866036
  -0.01929542  5.69374599 10.12922133
  -1.23605402  7.83957670 10.02908113
  -2.46682769  9.97634572  9.94465846
   4.93634643  1.42517993  9.94357331
   3.70218072  3.55904892 10.03644622
   2.48768702  5.68967542 10.35731580
   1.23066923  7.85874976 10.12922133
   0.00088213  9.97904787  9.96259227
   7.40293730  1.42716255  9.92018410
   6.16734752  3.56522403  9.96861227
   4.94011059  5.70320782 10.03644622
   3.70604733  7.83485908 10.00866036
   2.46760099  9.97282383  9.92599757
   9.87249644  1.42605680  9.88039854
   8.63675783  3.56420420  9.92018410
   7.40517808  5.70132502  9.94357331
   6.17116501  7.83793167  9.93427771
   4.93578933  9.97546792  9.88568599
 


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


 k-point  1 :  0.00000.00000.0000  plane waves:  66997
 k-point  2 :  0.20000.00000.0000  plane waves:  67037
 k-point  3 :  0.40000.00000.0000  plane waves:  66961
 k-point  4 :  0.20000.20000.0000  plane waves:  66971
 k-point  5 :  0.40000.20000.0000  plane waves:  66952
 k-point  6 :  -.40000.20000.0000  plane waves:  66969
 k-point  7 :  -.20000.20000.0000  plane waves:  67031
 k-point  8 :  0.40000.40000.0000  plane waves:  66938
 k-point  9 :  -.40000.40000.0000  plane waves:  66955

 maximum number of plane-waves:  67037
 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 3086.39 MBYTES are necessary
 For predicting wavefunctions  776.20 MBYTES are necessary
Broyden mixing: mesh for mixing (old mesh)
   NGX = 45   NGY = 45   NGZ = 73
  (NGX  =140   NGY  =140   NGZ  =224)
 gives a total of 147825 points
 charge density for first step will be calculated from the start-wavefunctions


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


 Maximum index for non-local projection operator         5235
 Maximum index for augmentation-charges        12264 (set IRDMAX)


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


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

    FEWALD:  VPU time    0.01: CPU time    0.02


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


    POTLOK:  VPU time    9.13: CPU time    9.13
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1910.81: CPU time  984.74
 BZINTS: Fermi energy: -3.283400;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.93: CPU time   57.30
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 2034.43: CPU time 1051.69

 eigenvalue-minimisations  :  6528
 total energy-change (2. order) :-0.4683087E+03  (-0.3737537E+02)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9346180 magnetization    0.0000010

 Broyden mixing:
  rms(total) = 0.63214E-01    rms(broyden)= 0.63195E-01
  rms(prec ) = 0.75668E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34278.34742115
  -1/2 Hartree   DENC   =    -41172.02556721
  -V(xc)+E(xc)   XCENC  =       726.30076362
  PAW double counting   =      4050.30770142    -4089.33099277
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.34784391
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -468.30866410 eV

  energy without entropy =     -468.30866410  energy(sigma->0) =     -468.30866410


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




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


    POTLOK:  VPU time    9.08: CPU time    9.08
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 2016.14: CPU time 1041.54
 BZINTS: Fermi energy: -3.250471;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.70: CPU time   57.83
    MIXING:  VPU time    0.17: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2140.45: CPU time 1109.00

 eigenvalue-minimisations  :  6992
 total energy-change (2. order) :-0.1297736E+01  (-0.1314242E+01)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9319497 magnetization    0.0000006

 Broyden mixing:
  rms(total) = 0.38285E-01    rms(broyden)= 0.38258E-01
  rms(prec ) = 0.44335E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6533
  0.6533

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34278.34742115
  -1/2 Hartree   DENC   =    -41168.84116318
  -V(xc)+E(xc)   XCENC  =       726.16199340
  PAW double counting   =      4055.41080827    -4094.20756934
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2471.91774388
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.60639999 eV

  energy without entropy =     -469.60639999  energy(sigma->0) =     -469.60639999


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




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


    POTLOK:  VPU time    9.07: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2380.34: CPU time 1225.68
 BZINTS: Fermi energy: -3.231271;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.01: CPU time   57.52
    MIXING:  VPU time    0.19: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 2504.02: CPU time 1292.82

 eigenvalue-minimisations  :  8624
 total energy-change (2. order) :-0.4161435E-01  (-0.4715817E-01)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9589586 magnetization   -0.0000003

 Broyden mixing:
  rms(total) = 0.17665E-01    rms(broyden)= 0.17659E-01
  rms(prec ) = 0.19067E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7202
  0.7202  0.7202

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34278.34742115
  -1/2 Hartree   DENC   =    -41169.83553359
  -V(xc)+E(xc)   XCENC  =       726.20633903
  PAW double counting   =      4057.96167858    -4096.72415643
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2471.04361668
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64801434 eV

  energy without entropy =     -469.64801434  energy(sigma->0) =     -469.64801434


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




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


    POTLOK:  VPU time    9.07: CPU time    9.07
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 2080.40: CPU time 1073.54
 BZINTS: Fermi energy: -3.237218;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.71: CPU time   57.44
    MIXING:  VPU time    0.20: CPU time    0.20
    ------------------------------------------
      LOOP:  VPU time 2203.79: CPU time 1140.61

 eigenvalue-minimisations  :  7296
 total energy-change (2. order) :-0.3658670E-03  (-0.9568312E-03)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9562263 magnetization   -0.0000003

 Broyden mixing:
  rms(total) = 0.11646E-01    rms(broyden)= 0.11646E-01
  rms(prec ) = 0.12432E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2019
  1.9561  0.9878  0.6619

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34278.34742115
  -1/2 Hartree   DENC   =    -41170.77991398
  -V(xc)+E(xc)   XCENC  =       726.25257227
  PAW double counting   =      4061.33219234    -4100.06931800
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2470.17118758
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64838020 eV

  energy without entropy =     -469.64838020  energy(sigma->0) =     -469.64838020


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




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


    POTLOK:  VPU time    8.75: CPU time    8.75
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1976.72: CPU time 1024.79
 BZINTS: Fermi energy: -3.239849;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.06: CPU time   57.83
    MIXING:  VPU time    0.21: CPU time    0.21
    ------------------------------------------
      LOOP:  VPU time 2100.09: CPU time 1091.89

 eigenvalue-minimisations  :  6880
 total energy-change (2. order) : 0.2573696E-03  (-0.1268204E-03)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9555152 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.18736E-02    rms(broyden)= 0.18719E-02
  rms(prec ) = 0.20742E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2220
  2.2891  0.6548  0.9721  0.9721

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34278.34742115
  -1/2 Hartree   DENC   =    -41172.46305658
  -V(xc)+E(xc)   XCENC  =       726.32934247
  PAW double counting   =      4067.12547079    -4105.80429476
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2468.62285950
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64812283 eV

  energy without entropy =     -469.64812283  energy(sigma->0) =     -469.64812283


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




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


    POTLOK:  VPU time    9.05: CPU time    9.05
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1493.42: CPU time  774.42
 BZINTS: Fermi energy: -3.243601;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1502.86: CPU time  783.85

 eigenvalue-minimisations  :  4624
 total energy-change (2. order) :-0.1861146E-04  (-0.7330436E-05)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9555152 magnetization   -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34278.34742115
  -1/2 Hartree   DENC   =    -41172.78822346
  -V(xc)+E(xc)   XCENC  =       726.34028625
  PAW double counting   =      4068.08434762    -4106.74572300
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2468.32610361
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64814145 eV

  energy without entropy =     -469.64814145  energy(sigma->0) =     -469.64814145


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




 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 -59.0120       2 -37.4822       3 -37.4822       4 -58.3209       5 -58.2946
       6 -58.3071       7 -58.3047       8 -58.3141       9 -58.3140      10 -58.2875
      11 -58.3247      12 -58.2817      13 -58.3252      14 -58.3047      15 -58.3033
      16 -58.3982      17 -58.9696      18 -58.2817      19 -58.3071      20 -58.3094
      21 -58.2948      22 -58.3982      23 -58.3247      24 -58.2946      25 -58.3310
      26 -58.3094      27 -58.3033      28 -58.2875      29 -58.2945      30 -58.2874
      31 -58.3032      32 -58.3093      33 -58.3309      34 -58.3070      35 -58.3245
      36 -58.3981      37 -58.2948      38 -58.3093      39 -58.3045      40 -58.2816
      41 -58.9695      42 -58.3982      43 -58.3032      44 -58.3139      45 -58.3251
      46 -58.2816      47 -58.3246      48 -58.2874      49 -58.3208      50 -58.3139
      51 -58.3046      52 -58.3071      53 -58.2945
 
 
 
 E-fermi :  -3.2436     XC(G=0):  -2.3766     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     -22.3747      1.00000
      2     -21.5083      1.00000
      3     -21.4322      1.00000
      4     -21.4319      1.00000
      5     -21.4209      1.00000
      6     -21.4105      1.00000
      7     -21.4062      1.00000
      8     -19.6700      1.00000
      9     -19.5985      1.00000
     10     -19.5936      1.00000
     11     -19.5828      1.00000
     12     -19.5706      1.00000
     13     -19.5669      1.00000
     14     -18.7690      1.00000
     15     -18.7042      1.00000
     16     -18.6985      1.00000
     17     -18.6851      1.00000
     18     -18.6774      1.00000
     19     -18.6709      1.00000
     20     -16.6372      1.00000
     21     -16.5526      1.00000
     22     -16.5435      1.00000
     23     -16.5401      1.00000
     24     -16.5272      1.00000
     25     -16.5199      1.00000
     26     -15.6155      1.00000
     27     -15.5658      1.00000
     28     -15.5302      1.00000
     29     -15.5203      1.00000
     30     -15.5194      1.00000
     31     -15.5145      1.00000
     32     -14.2585      1.00000
     33     -14.2224      1.00000
     34     -14.1967      1.00000
     35     -14.1963      1.00000
     36     -14.1779      1.00000
     37     -14.1733      1.00000
     38     -11.9900      1.00000
     39     -11.8761      1.00000
     40     -11.8278      1.00000
     41     -11.8139      1.00000
     42     -11.8053      1.00000
     43     -11.7991      1.00000
     44     -11.7320      1.00000
     45     -11.7247      1.00000
     46     -11.7074      1.00000
     47     -11.6995      1.00000
     48     -11.6914      1.00000
     49     -11.6844      1.00000
     50     -10.6479      1.00000
     51     -10.3790      1.00000
     52     -10.3572      1.00000
     53     -10.3441      1.00000
     54     -10.3270      1.00000
     55     -10.3193      1.00000
     56     -10.2973      1.00000
     57      -9.7959      1.00000
     58      -9.4123      1.00000
     59      -9.3935      1.00000
     60      -9.3550      1.00000
     61      -9.3446      1.00000
     62      -9.3345      1.00000
     63      -9.1786      1.00000
     64      -9.0810      1.00000
     65      -9.0784      1.00000
     66      -9.0642      1.00000
     67      -9.0628      1.00000
     68      -9.0346      1.00000
     69      -9.0291      1.00000
     70      -9.0286      1.00000
     71      -9.0148      1.00000
     72      -9.0046      1.00000
     73      -8.9975      1.00000
     74      -8.9737      1.00000
     75      -7.9882      1.00000
     76      -7.7033      1.00000
     77      -7.5087      1.00000
     78      -7.4862      1.00000
     79      -7.4607      1.00000
     80      -7.4149      1.00000
     81      -7.3990      1.00000
     82      -7.3780      1.00000
     83      -7.3506      1.00000
     84      -7.2262      1.00000
     85      -7.1831      1.00000
     86      -7.1802      1.00000
     87      -7.1761      1.00000
     88      -6.6136      1.00000
     89      -6.5805      1.00000
     90      -6.3696      1.00000
     91      -6.3596      1.00000
     92      -6.3204      1.00000
     93      -6.2928      1.00000
     94      -5.9506      1.00000
     95      -5.8903      1.00000
     96      -5.3606      1.00000
     97      -5.1966      1.00000
     98      -4.8442      1.00000
     99      -4.7175      1.00000
    100      -4.3663      1.00000
    101      -4.3613      1.00000
    102      -4.3452      1.00000
    103      -4.3409      1.00000
    104      -4.1710      1.00000
    105      -3.9317      1.00000
    106      -3.5947      1.00000
    107      -2.9264      0.00000
    108      -1.5604      0.00000
    109      -1.5495      0.00000
    110      -1.5370      0.00000
    111      -1.5345      0.00000
    112      -1.4867      0.00000
    113      -1.4642      0.00000
    114       0.0758      0.00000
    115       0.2323      0.00000
    116       0.2772      0.00000
    117       0.3002      0.00000
    118       0.3053      0.00000
    119       0.3725      0.00000
    120       0.6022      0.00000
    121       1.2631      0.00000
    122       1.3414      0.00000
    123       1.6766      0.00000
    124       1.7447      0.00000
    125       1.7665      0.00000
    126       1.7712      0.00000
    127       1.8322      0.00000
    128       1.8683      0.00000
    129       1.9992      0.00000
    130       2.0038      0.00000
    131       2.0163      0.00000
    132       2.0196      0.00000
    133       2.0220      0.00000
    134       2.0811      0.00000
    135       2.3030      0.00000
    136       2.4669      0.00000
    137       2.5632      0.00000
    138       2.5648      0.00000
    139       2.5912      0.00000
    140       2.7217      0.00000
    141       2.8108      0.00000
    142       2.9981      0.00000
    143       3.0036      0.00000
    144       3.0112      0.00000
    145       3.0115      0.00000
    146       3.0531      0.00000
    147       3.0756      0.00000
    148       3.4374      0.00000
    149       3.5294      0.00000
    150       3.5819      0.00000
    151       3.8953      0.00000
    152       3.8969      0.00000
    153       3.9225      0.00000
    154       3.9456      0.00000
    155       3.9847      0.00000
    156       4.0385      0.00000
    157       4.1549      0.00000
    158       4.1798      0.00000
    159       4.2318      0.00000
    160       4.2473      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3372      1.00000
      2     -21.7749      1.00000
      3     -21.6006      1.00000
      4     -21.5689      1.00000
      5     -21.2254      1.00000
      6     -21.1962      1.00000
      7     -21.0234      1.00000
      8     -20.1232      1.00000
      9     -20.0894      1.00000
     10     -19.5742      1.00000
     11     -19.5466      1.00000
     12     -19.3816      1.00000
     13     -19.0539      1.00000
     14     -19.0207      1.00000
     15     -19.0080      1.00000
     16     -18.9962      1.00000
     17     -18.3309      1.00000
     18     -18.3052      1.00000
     19     -17.9854      1.00000
     20     -17.0406      1.00000
     21     -16.9876      1.00000
     22     -16.9235      1.00000
     23     -16.8956      1.00000
     24     -16.4398      1.00000
     25     -16.4129      1.00000
     26     -15.5960      1.00000
     27     -15.5569      1.00000
     28     -15.2411      1.00000
     29     -15.1986      1.00000
     30     -15.1343      1.00000
     31     -15.0609      1.00000
     32     -15.0284      1.00000
     33     -14.6716      1.00000
     34     -14.6523      1.00000
     35     -13.7086      1.00000
     36     -13.6828      1.00000
     37     -13.2045      1.00000
     38     -12.6031      1.00000
     39     -12.5386      1.00000
     40     -12.4215      1.00000
     41     -12.4060      1.00000
     42     -12.1147      1.00000
     43     -12.0725      1.00000
     44     -11.6979      1.00000
     45     -11.6490      1.00000
     46     -11.2382      1.00000
     47     -11.1871      1.00000
     48     -11.0108      1.00000
     49     -10.9747      1.00000
     50     -10.9147      1.00000
     51     -10.8659      1.00000
     52     -10.5331      1.00000
     53     -10.1285      1.00000
     54     -10.1246      1.00000
     55     -10.0825      1.00000
     56      -9.9223      1.00000
     57      -9.7115      1.00000
     58      -9.6711      1.00000
     59      -9.6158      1.00000
     60      -9.5844      1.00000
     61      -9.5451      1.00000
     62      -9.4810      1.00000
     63      -9.2999      1.00000
     64      -9.2788      1.00000
     65      -9.2302      1.00000
     66      -9.1773      1.00000
     67      -9.1128      1.00000
     68      -9.0784      1.00000
     69      -9.0665      1.00000
     70      -8.9077      1.00000
     71      -8.8472      1.00000
     72      -8.6046      1.00000
     73      -8.5697      1.00000
     74      -8.1246      1.00000
     75      -8.0473      1.00000
     76      -7.9502      1.00000
     77      -7.8320      1.00000
     78      -7.7940      1.00000
     79      -7.7309      1.00000
     80      -7.6959      1.00000
     81      -7.3501      1.00000
     82      -7.3347      1.00000
     83      -7.3291      1.00000
     84      -7.2704      1.00000
     85      -7.0687      1.00000
     86      -6.9842      1.00000
     87      -6.8271      1.00000
     88      -6.7514      1.00000
     89      -6.6453      1.00000
     90      -6.5669      1.00000
     91      -6.1374      1.00000
     92      -6.1046      1.00000
     93      -6.0977      1.00000
     94      -5.9698      1.00000
     95      -5.7387      1.00000
     96      -5.3967      1.00000
     97      -5.2114      1.00000
     98      -4.9443      1.00000
     99      -4.8027      1.00000
    100      -4.6400      1.00000
    101      -4.5395      1.00000
    102      -4.4883      1.00000
    103      -4.3661      1.00000
    104      -4.0476      1.00000
    105      -3.8134      1.00000
    106      -3.5720      1.00000
    107      -2.9481      0.00000
    108      -1.7224      0.00000
    109      -1.6804      0.00000
    110      -1.2947      0.00000
    111      -1.2777      0.00000
    112      -1.2440      0.00000
    113      -1.2137      0.00000
    114      -0.5608      0.00000
    115      -0.1958      0.00000
    116      -0.1709      0.00000
    117       0.6232      0.00000
    118       0.6688      0.00000
    119       0.7227      0.00000
    120       0.9831      0.00000
    121       1.1152      0.00000
    122       1.2383      0.00000
    123       1.3270      0.00000
    124       1.4247      0.00000
    125       1.4870      0.00000
    126       1.7279      0.00000
    127       1.7439      0.00000
    128       1.7880      0.00000
    129       1.8443      0.00000
    130       1.9439      0.00000
    131       2.1529      0.00000
    132       2.1959      0.00000
    133       2.2320      0.00000
    134       2.4173      0.00000
    135       2.5099      0.00000
    136       2.5777      0.00000
    137       2.6726      0.00000
    138       2.6869      0.00000
    139       2.7496      0.00000
    140       2.7800      0.00000
    141       2.8140      0.00000
    142       2.8481      0.00000
    143       2.9682      0.00000
    144       3.0275      0.00000
    145       3.2380      0.00000
    146       3.3100      0.00000
    147       3.3377      0.00000
    148       3.4368      0.00000
    149       3.5061      0.00000
    150       3.5489      0.00000
    151       3.6307      0.00000
    152       3.7088      0.00000
    153       3.7407      0.00000
    154       3.9124      0.00000
    155       3.9395      0.00000
    156       4.0057      0.00000
    157       4.0507      0.00000
    158       4.1344      0.00000
    159       4.2648      0.00000
    160       4.3483      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2257      1.00000
      2     -22.0342      1.00000
      3     -21.6749      1.00000
      4     -21.6438      1.00000
      5     -20.9316      1.00000
      6     -20.8993      1.00000
      7     -20.5712      1.00000
      8     -20.5360      1.00000
      9     -20.5264      1.00000
     10     -19.9947      1.00000
     11     -19.4686      1.00000
     12     -19.4386      1.00000
     13     -19.2765      1.00000
     14     -19.2558      1.00000
     15     -18.4101      1.00000
     16     -18.3706      1.00000
     17     -17.8990      1.00000
     18     -17.8660      1.00000
     19     -17.7216      1.00000
     20     -17.6857      1.00000
     21     -17.4123      1.00000
     22     -17.3830      1.00000
     23     -17.3102      1.00000
     24     -16.4331      1.00000
     25     -16.4125      1.00000
     26     -15.9187      1.00000
     27     -15.3930      1.00000
     28     -15.3601      1.00000
     29     -15.0757      1.00000
     30     -15.0471      1.00000
     31     -14.8429      1.00000
     32     -14.8085      1.00000
     33     -14.2575      1.00000
     34     -14.2150      1.00000
     35     -13.4163      1.00000
     36     -13.3606      1.00000
     37     -13.1630      1.00000
     38     -13.1337      1.00000
     39     -12.9379      1.00000
     40     -12.9284      1.00000
     41     -12.6061      1.00000
     42     -12.5738      1.00000
     43     -12.1723      1.00000
     44     -11.5658      1.00000
     45     -11.5045      1.00000
     46     -11.3045      1.00000
     47     -11.2505      1.00000
     48     -11.1239      1.00000
     49     -10.6842      1.00000
     50     -10.6328      1.00000
     51     -10.4502      1.00000
     52     -10.2918      1.00000
     53     -10.2774      1.00000
     54     -10.1632      1.00000
     55     -10.0860      1.00000
     56     -10.0711      1.00000
     57      -9.7904      1.00000
     58      -9.7434      1.00000
     59      -9.6959      1.00000
     60      -9.6755      1.00000
     61      -9.6638      1.00000
     62      -9.5995      1.00000
     63      -9.3393      1.00000
     64      -9.3242      1.00000
     65      -9.2874      1.00000
     66      -9.0342      1.00000
     67      -8.9344      1.00000
     68      -8.8464      1.00000
     69      -8.7630      1.00000
     70      -8.5939      1.00000
     71      -8.4983      1.00000
     72      -8.3720      1.00000
     73      -8.3658      1.00000
     74      -8.3066      1.00000
     75      -8.2483      1.00000
     76      -8.2458      1.00000
     77      -8.2263      1.00000
     78      -8.1982      1.00000
     79      -7.8742      1.00000
     80      -7.7480      1.00000
     81      -7.3719      1.00000
     82      -7.3139      1.00000
     83      -7.2993      1.00000
     84      -7.2090      1.00000
     85      -7.1816      1.00000
     86      -6.9506      1.00000
     87      -6.9327      1.00000
     88      -6.5952      1.00000
     89      -6.5405      1.00000
     90      -6.2678      1.00000
     91      -6.2022      1.00000
     92      -5.9863      1.00000
     93      -5.8164      1.00000
     94      -5.6729      1.00000
     95      -5.5172      1.00000
     96      -5.3321      1.00000
     97      -5.3106      1.00000
     98      -5.1965      1.00000
     99      -5.1922      1.00000
    100      -5.1123      1.00000
    101      -4.6894      1.00000
    102      -4.5521      1.00000
    103      -4.4533      1.00000
    104      -3.9161      1.00000
    105      -3.7079      1.00000
    106      -3.5377      1.00000
    107      -2.9695      0.00000
    108      -1.8217      0.00000
    109      -1.7670      0.00000
    110      -1.0858      0.00000
    111      -0.9777      0.00000
    112      -0.9414      0.00000
    113      -0.6480      0.00000
    114      -0.6105      0.00000
    115      -0.5692      0.00000
    116      -0.5319      0.00000
    117       0.1735      0.00000
    118       0.2569      0.00000
    119       0.7769      0.00000
    120       0.9966      0.00000
    121       1.1084      0.00000
    122       1.1636      0.00000
    123       1.3522      0.00000
    124       1.4697      0.00000
    125       1.5847      0.00000
    126       1.5912      0.00000
    127       1.6585      0.00000
    128       1.8788      0.00000
    129       1.9257      0.00000
    130       2.0117      0.00000
    131       2.1542      0.00000
    132       2.3321      0.00000
    133       2.3781      0.00000
    134       2.3952      0.00000
    135       2.5898      0.00000
    136       2.6721      0.00000
    137       2.6966      0.00000
    138       2.7498      0.00000
    139       2.8273      0.00000
    140       2.9906      0.00000
    141       3.0337      0.00000
    142       3.0707      0.00000
    143       3.1262      0.00000
    144       3.2401      0.00000
    145       3.3191      0.00000
    146       3.3596      0.00000
    147       3.4343      0.00000
    148       3.5279      0.00000
    149       3.5682      0.00000
    150       3.6001      0.00000
    151       3.6468      0.00000
    152       3.6967      0.00000
    153       3.7306      0.00000
    154       3.7505      0.00000
    155       3.7815      0.00000
    156       3.9034      0.00000
    157       3.9092      0.00000
    158       4.0040      0.00000
    159       4.2145      0.00000
    160       4.2788      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2627      1.00000
      2     -21.8918      1.00000
      3     -21.8777      1.00000
      4     -21.3297      1.00000
      5     -21.3167      1.00000
      6     -20.7750      1.00000
      7     -20.7589      1.00000
      8     -20.5824      1.00000
      9     -20.0315      1.00000
     10     -20.0295      1.00000
     11     -19.6755      1.00000
     12     -19.6600      1.00000
     13     -18.9511      1.00000
     14     -18.9506      1.00000
     15     -18.5937      1.00000
     16     -18.5932      1.00000
     17     -18.4231      1.00000
     18     -17.6490      1.00000
     19     -17.5921      1.00000
     20     -17.5708      1.00000
     21     -17.5654      1.00000
     22     -17.0752      1.00000
     23     -17.0745      1.00000
     24     -16.9156      1.00000
     25     -15.9494      1.00000
     26     -15.9115      1.00000
     27     -15.5493      1.00000
     28     -15.5331      1.00000
     29     -15.2776      1.00000
     30     -14.8172      1.00000
     31     -14.7947      1.00000
     32     -14.5462      1.00000
     33     -14.5148      1.00000
     34     -14.1342      1.00000
     35     -14.1293      1.00000
     36     -13.1020      1.00000
     37     -13.0453      1.00000
     38     -13.0228      1.00000
     39     -12.9910      1.00000
     40     -12.6799      1.00000
     41     -12.6775      1.00000
     42     -12.2893      1.00000
     43     -12.2817      1.00000
     44     -11.6569      1.00000
     45     -11.6017      1.00000
     46     -11.5452      1.00000
     47     -10.9432      1.00000
     48     -10.8933      1.00000
     49     -10.6402      1.00000
     50     -10.5982      1.00000
     51     -10.4752      1.00000
     52     -10.4634      1.00000
     53     -10.4059      1.00000
     54     -10.4031      1.00000
     55     -10.3199      1.00000
     56     -10.0432      1.00000
     57      -9.8779      1.00000
     58      -9.5911      1.00000
     59      -9.5260      1.00000
     60      -9.5055      1.00000
     61      -9.3791      1.00000
     62      -9.3737      1.00000
     63      -9.3434      1.00000
     64      -9.2964      1.00000
     65      -9.2436      1.00000
     66      -9.1730      1.00000
     67      -9.1291      1.00000
     68      -9.0893      1.00000
     69      -8.8458      1.00000
     70      -8.8248      1.00000
     71      -8.6854      1.00000
     72      -8.5775      1.00000
     73      -8.4230      1.00000
     74      -8.2018      1.00000
     75      -8.1554      1.00000
     76      -7.9729      1.00000
     77      -7.8837      1.00000
     78      -7.8213      1.00000
     79      -7.7943      1.00000
     80      -7.7694      1.00000
     81      -7.6782      1.00000
     82      -7.6230      1.00000
     83      -7.4131      1.00000
     84      -7.3535      1.00000
     85      -6.9001      1.00000
     86      -6.8928      1.00000
     87      -6.7310      1.00000
     88      -6.6496      1.00000
     89      -6.4076      1.00000
     90      -6.3294      1.00000
     91      -6.2912      1.00000
     92      -6.1867      1.00000
     93      -5.9779      1.00000
     94      -5.5866      1.00000
     95      -5.4787      1.00000
     96      -5.4151      1.00000
     97      -5.3759      1.00000
     98      -5.1997      1.00000
     99      -5.1113      1.00000
    100      -4.7514      1.00000
    101      -4.7066      1.00000
    102      -4.5707      1.00000
    103      -4.4214      1.00000
    104      -4.2031      1.00000
    105      -3.5557      1.00000
    106      -3.3919      1.00000
    107      -3.0540      0.00000
    108      -2.1103      0.00000
    109      -1.2525      0.00000
    110      -1.2070      0.00000
    111      -1.1789      0.00000
    112      -0.9322      0.00000
    113      -0.8332      0.00000
    114      -0.7827      0.00000
    115      -0.7014      0.00000
    116       0.1930      0.00000
    117       0.1977      0.00000
    118       0.3071      0.00000
    119       0.7557      0.00000
    120       0.8185      0.00000
    121       0.9088      0.00000
    122       1.1058      0.00000
    123       1.3223      0.00000
    124       1.4990      0.00000
    125       1.5583      0.00000
    126       1.8043      0.00000
    127       1.8299      0.00000
    128       1.8489      0.00000
    129       1.9460      0.00000
    130       1.9517      0.00000
    131       2.2353      0.00000
    132       2.3697      0.00000
    133       2.3948      0.00000
    134       2.4175      0.00000
    135       2.5409      0.00000
    136       2.5765      0.00000
    137       2.6246      0.00000
    138       2.6966      0.00000
    139       2.7293      0.00000
    140       2.9456      0.00000
    141       3.0367      0.00000
    142       3.1155      0.00000
    143       3.1540      0.00000
    144       3.1886      0.00000
    145       3.2164      0.00000
    146       3.2930      0.00000
    147       3.3188      0.00000
    148       3.4911      0.00000
    149       3.4963      0.00000
    150       3.6158      0.00000
    151       3.6693      0.00000
    152       3.6988      0.00000
    153       3.7723      0.00000
    154       3.9345      0.00000
    155       3.9557      0.00000
    156       3.9618      0.00000
    157       3.9720      0.00000
    158       4.0200      0.00000
    159       4.1663      0.00000
    160       4.2449      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1311      1.00000
      2     -22.0918      1.00000
      3     -21.9208      1.00000
      4     -21.3612      1.00000
      5     -21.0071      1.00000
      6     -20.9708      1.00000
      7     -20.4554      1.00000
      8     -20.4169      1.00000
      9     -20.2644      1.00000
     10     -20.2343      1.00000
     11     -19.9028      1.00000
     12     -19.8647      1.00000
     13     -18.8297      1.00000
     14     -18.7857      1.00000
     15     -18.3158      1.00000
     16     -18.2646      1.00000
     17     -18.1242      1.00000
     18     -18.0935      1.00000
     19     -17.7891      1.00000
     20     -17.7493      1.00000
     21     -17.2305      1.00000
     22     -17.1918      1.00000
     23     -17.1380      1.00000
     24     -17.0946      1.00000
     25     -16.0584      1.00000
     26     -15.8646      1.00000
     27     -15.8226      1.00000
     28     -15.7891      1.00000
     29     -15.2141      1.00000
     30     -14.5330      1.00000
     31     -14.4856      1.00000
     32     -14.2584      1.00000
     33     -13.9336      1.00000
     34     -13.9191      1.00000
     35     -13.7965      1.00000
     36     -13.7595      1.00000
     37     -13.5857      1.00000
     38     -13.5371      1.00000
     39     -13.3252      1.00000
     40     -12.5857      1.00000
     41     -12.1788      1.00000
     42     -12.1038      1.00000
     43     -12.0392      1.00000
     44     -11.9913      1.00000
     45     -11.6593      1.00000
     46     -11.6237      1.00000
     47     -11.1399      1.00000
     48     -11.0842      1.00000
     49     -10.7834      1.00000
     50     -10.7053      1.00000
     51     -10.4079      1.00000
     52     -10.1972      1.00000
     53     -10.1701      1.00000
     54     -10.1294      1.00000
     55      -9.9960      1.00000
     56      -9.9839      1.00000
     57      -9.9429      1.00000
     58      -9.7963      1.00000
     59      -9.7759      1.00000
     60      -9.7442      1.00000
     61      -9.7197      1.00000
     62      -9.4385      1.00000
     63      -9.3373      1.00000
     64      -9.0920      1.00000
     65      -9.0480      1.00000
     66      -9.0043      1.00000
     67      -8.8941      1.00000
     68      -8.8287      1.00000
     69      -8.7117      1.00000
     70      -8.6686      1.00000
     71      -8.5696      1.00000
     72      -8.5089      1.00000
     73      -8.4768      1.00000
     74      -8.4386      1.00000
     75      -8.3339      1.00000
     76      -8.2009      1.00000
     77      -8.0699      1.00000
     78      -7.9837      1.00000
     79      -7.9067      1.00000
     80      -7.8803      1.00000
     81      -7.6971      1.00000
     82      -7.5633      1.00000
     83      -7.4971      1.00000
     84      -6.9803      1.00000
     85      -6.9097      1.00000
     86      -6.8592      1.00000
     87      -6.7430      1.00000
     88      -6.5226      1.00000
     89      -6.4705      1.00000
     90      -6.3812      1.00000
     91      -6.1941      1.00000
     92      -5.9337      1.00000
     93      -5.7970      1.00000
     94      -5.7553      1.00000
     95      -5.5576      1.00000
     96      -5.3800      1.00000
     97      -5.2465      1.00000
     98      -5.1976      1.00000
     99      -5.1873      1.00000
    100      -5.1266      1.00000
    101      -4.8092      1.00000
    102      -4.5411      1.00000
    103      -4.4596      1.00000
    104      -4.2466      1.00000
    105      -3.5566      1.00000
    106      -3.2934      1.00000
    107      -2.9391      0.00000
    108      -2.3487      0.00000
    109      -1.1835      0.00000
    110      -1.1679      0.00000
    111      -1.1208      0.00000
    112      -1.0596      0.00000
    113      -0.5047      0.00000
    114      -0.4571      0.00000
    115      -0.3012      0.00000
    116      -0.2727      0.00000
    117      -0.0009      0.00000
    118       0.0346      0.00000
    119       0.5284      0.00000
    120       0.6391      0.00000
    121       0.8699      0.00000
    122       0.9672      0.00000
    123       1.1865      0.00000
    124       1.5208      0.00000
    125       1.7366      0.00000
    126       1.7550      0.00000
    127       1.9977      0.00000
    128       2.0674      0.00000
    129       2.1171      0.00000
    130       2.1368      0.00000
    131       2.2434      0.00000
    132       2.2984      0.00000
    133       2.3344      0.00000
    134       2.4507      0.00000
    135       2.6656      0.00000
    136       2.7513      0.00000
    137       2.7887      0.00000
    138       2.8768      0.00000
    139       2.9477      0.00000
    140       2.9822      0.00000
    141       3.0385      0.00000
    142       3.0941      0.00000
    143       3.1419      0.00000
    144       3.2279      0.00000
    145       3.2457      0.00000
    146       3.2830      0.00000
    147       3.3125      0.00000
    148       3.3377      0.00000
    149       3.3632      0.00000
    150       3.5138      0.00000
    151       3.5713      0.00000
    152       3.6266      0.00000
    153       3.6554      0.00000
    154       3.6998      0.00000
    155       3.7179      0.00000
    156       3.7816      0.00000
    157       3.9541      0.00000
    158       4.0465      0.00000
    159       4.1036      0.00000
    160       4.2418      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2622      1.00000
      2     -21.9040      1.00000
      3     -21.8656      1.00000
      4     -21.3416      1.00000
      5     -21.3056      1.00000
      6     -20.7853      1.00000
      7     -20.7468      1.00000
      8     -20.5807      1.00000
      9     -20.0510      1.00000
     10     -20.0151      1.00000
     11     -19.6836      1.00000
     12     -19.6482      1.00000
     13     -18.9716      1.00000
     14     -18.9336      1.00000
     15     -18.6164      1.00000
     16     -18.5790      1.00000
     17     -18.4191      1.00000
     18     -17.6355      1.00000
     19     -17.5865      1.00000
     20     -17.5687      1.00000
     21     -17.5503      1.00000
     22     -17.1021      1.00000
     23     -17.0580      1.00000
     24     -16.9439      1.00000
     25     -15.9875      1.00000
     26     -15.8706      1.00000
     27     -15.5706      1.00000
     28     -15.5311      1.00000
     29     -15.2306      1.00000
     30     -14.8534      1.00000
     31     -14.7955      1.00000
     32     -14.5416      1.00000
     33     -14.4991      1.00000
     34     -14.1320      1.00000
     35     -14.1186      1.00000
     36     -13.1616      1.00000
     37     -13.0525      1.00000
     38     -12.9981      1.00000
     39     -12.9764      1.00000
     40     -12.7016      1.00000
     41     -12.6562      1.00000
     42     -12.3017      1.00000
     43     -12.2817      1.00000
     44     -11.6237      1.00000
     45     -11.5871      1.00000
     46     -11.5267      1.00000
     47     -10.9250      1.00000
     48     -10.9001      1.00000
     49     -10.7160      1.00000
     50     -10.5684      1.00000
     51     -10.5381      1.00000
     52     -10.4701      1.00000
     53     -10.4301      1.00000
     54     -10.3694      1.00000
     55     -10.3164      1.00000
     56     -10.0370      1.00000
     57      -9.8728      1.00000
     58      -9.6034      1.00000
     59      -9.5232      1.00000
     60      -9.4572      1.00000
     61      -9.4097      1.00000
     62      -9.3735      1.00000
     63      -9.3416      1.00000
     64      -9.3009      1.00000
     65      -9.2482      1.00000
     66      -9.1372      1.00000
     67      -9.0887      1.00000
     68      -9.0722      1.00000
     69      -8.8533      1.00000
     70      -8.8368      1.00000
     71      -8.7049      1.00000
     72      -8.5620      1.00000
     73      -8.4396      1.00000
     74      -8.1991      1.00000
     75      -8.1729      1.00000
     76      -8.0407      1.00000
     77      -7.8680      1.00000
     78      -7.8037      1.00000
     79      -7.7752      1.00000
     80      -7.7207      1.00000
     81      -7.6814      1.00000
     82      -7.6425      1.00000
     83      -7.4484      1.00000
     84      -7.3106      1.00000
     85      -6.9233      1.00000
     86      -6.8890      1.00000
     87      -6.7779      1.00000
     88      -6.5610      1.00000
     89      -6.3934      1.00000
     90      -6.3253      1.00000
     91      -6.2805      1.00000
     92      -6.1711      1.00000
     93      -6.0684      1.00000
     94      -5.7831      1.00000
     95      -5.5354      1.00000
     96      -5.3567      1.00000
     97      -5.2065      1.00000
     98      -5.1799      1.00000
     99      -5.0336      1.00000
    100      -4.8139      1.00000
    101      -4.6748      1.00000
    102      -4.4956      1.00000
    103      -4.4337      1.00000
    104      -4.2372      1.00000
    105      -3.6375      1.00000
    106      -3.5482      1.00000
    107      -2.8485      0.00000
    108      -2.1349      0.00000
    109      -1.2455      0.00000
    110      -1.1942      0.00000
    111      -1.1766      0.00000
    112      -0.8912      0.00000
    113      -0.8685      0.00000
    114      -0.7903      0.00000
    115      -0.7568      0.00000
    116       0.1413      0.00000
    117       0.2431      0.00000
    118       0.3131      0.00000
    119       0.7081      0.00000
    120       0.8551      0.00000
    121       0.9355      0.00000
    122       1.1600      0.00000
    123       1.2483      0.00000
    124       1.5150      0.00000
    125       1.5489      0.00000
    126       1.7962      0.00000
    127       1.8567      0.00000
    128       1.8796      0.00000
    129       1.9454      0.00000
    130       2.0333      0.00000
    131       2.2088      0.00000
    132       2.3121      0.00000
    133       2.3811      0.00000
    134       2.4297      0.00000
    135       2.5662      0.00000
    136       2.6014      0.00000
    137       2.6634      0.00000
    138       2.7050      0.00000
    139       2.7416      0.00000
    140       2.8760      0.00000
    141       3.0243      0.00000
    142       3.1201      0.00000
    143       3.1654      0.00000
    144       3.1814      0.00000
    145       3.2216      0.00000
    146       3.2611      0.00000
    147       3.3086      0.00000
    148       3.4323      0.00000
    149       3.5106      0.00000
    150       3.5931      0.00000
    151       3.6692      0.00000
    152       3.6913      0.00000
    153       3.8420      0.00000
    154       3.9046      0.00000
    155       3.9130      0.00000
    156       3.9409      0.00000
    157       3.9708      0.00000
    158       3.9894      0.00000
    159       4.0647      0.00000
    160       4.1511      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3371      1.00000
      2     -21.7765      1.00000
      3     -21.5964      1.00000
      4     -21.5713      1.00000
      5     -21.2268      1.00000
      6     -21.1972      1.00000
      7     -21.0209      1.00000
      8     -20.1218      1.00000
      9     -20.0897      1.00000
     10     -19.5814      1.00000
     11     -19.5464      1.00000
     12     -19.3739      1.00000
     13     -19.0641      1.00000
     14     -19.0233      1.00000
     15     -19.0064      1.00000
     16     -18.9881      1.00000
     17     -18.3374      1.00000
     18     -18.3058      1.00000
     19     -17.9731      1.00000
     20     -17.0239      1.00000
     21     -16.9809      1.00000
     22     -16.9289      1.00000
     23     -16.9037      1.00000
     24     -16.4613      1.00000
     25     -16.4268      1.00000
     26     -15.5783      1.00000
     27     -15.5498      1.00000
     28     -15.2024      1.00000
     29     -15.1795      1.00000
     30     -15.1661      1.00000
     31     -15.0881      1.00000
     32     -15.0338      1.00000
     33     -14.6732      1.00000
     34     -14.6469      1.00000
     35     -13.7059      1.00000
     36     -13.6740      1.00000
     37     -13.2090      1.00000
     38     -12.6443      1.00000
     39     -12.5427      1.00000
     40     -12.4292      1.00000
     41     -12.4064      1.00000
     42     -12.0719      1.00000
     43     -12.0511      1.00000
     44     -11.6815      1.00000
     45     -11.6497      1.00000
     46     -11.2932      1.00000
     47     -11.1902      1.00000
     48     -10.9975      1.00000
     49     -10.9652      1.00000
     50     -10.8898      1.00000
     51     -10.8579      1.00000
     52     -10.5654      1.00000
     53     -10.2106      1.00000
     54     -10.1222      1.00000
     55     -10.0627      1.00000
     56      -9.8926      1.00000
     57      -9.6633      1.00000
     58      -9.6618      1.00000
     59      -9.6285      1.00000
     60      -9.6034      1.00000
     61      -9.5367      1.00000
     62      -9.4767      1.00000
     63      -9.3141      1.00000
     64      -9.2654      1.00000
     65      -9.2268      1.00000
     66      -9.1954      1.00000
     67      -9.0966      1.00000
     68      -9.0922      1.00000
     69      -9.0714      1.00000
     70      -8.9043      1.00000
     71      -8.8434      1.00000
     72      -8.5741      1.00000
     73      -8.5592      1.00000
     74      -8.1739      1.00000
     75      -8.0127      1.00000
     76      -7.9483      1.00000
     77      -7.8859      1.00000
     78      -7.7787      1.00000
     79      -7.7288      1.00000
     80      -7.7139      1.00000
     81      -7.4065      1.00000
     82      -7.2862      1.00000
     83      -7.2499      1.00000
     84      -7.2220      1.00000
     85      -7.1528      1.00000
     86      -6.9695      1.00000
     87      -6.8588      1.00000
     88      -6.6969      1.00000
     89      -6.6660      1.00000
     90      -6.5858      1.00000
     91      -6.1637      1.00000
     92      -6.0910      1.00000
     93      -6.0733      1.00000
     94      -5.9105      1.00000
     95      -5.8824      1.00000
     96      -5.3760      1.00000
     97      -5.1946      1.00000
     98      -4.8763      1.00000
     99      -4.8587      1.00000
    100      -4.6460      1.00000
    101      -4.5266      1.00000
    102      -4.3924      1.00000
    103      -4.2677      1.00000
    104      -4.0669      1.00000
    105      -4.0459      1.00000
    106      -3.5663      1.00000
    107      -2.8705      0.00000
    108      -1.7027      0.00000
    109      -1.6964      0.00000
    110      -1.3079      0.00000
    111      -1.2657      0.00000
    112      -1.2361      0.00000
    113      -1.2326      0.00000
    114      -0.5722      0.00000
    115      -0.2557      0.00000
    116      -0.1162      0.00000
    117       0.5794      0.00000
    118       0.6658      0.00000
    119       0.8073      0.00000
    120       0.9529      0.00000
    121       1.1367      0.00000
    122       1.2020      0.00000
    123       1.2733      0.00000
    124       1.4314      0.00000
    125       1.6057      0.00000
    126       1.6747      0.00000
    127       1.7461      0.00000
    128       1.7650      0.00000
    129       1.9130      0.00000
    130       1.9339      0.00000
    131       2.1778      0.00000
    132       2.1841      0.00000
    133       2.2174      0.00000
    134       2.4668      0.00000
    135       2.4745      0.00000
    136       2.5632      0.00000
    137       2.6135      0.00000
    138       2.7006      0.00000
    139       2.7693      0.00000
    140       2.7924      0.00000
    141       2.8578      0.00000
    142       2.9386      0.00000
    143       2.9580      0.00000
    144       2.9969      0.00000
    145       3.1131      0.00000
    146       3.3166      0.00000
    147       3.3406      0.00000
    148       3.4007      0.00000
    149       3.5450      0.00000
    150       3.5912      0.00000
    151       3.6312      0.00000
    152       3.6530      0.00000
    153       3.7717      0.00000
    154       3.7738      0.00000
    155       3.9940      0.00000
    156       4.0181      0.00000
    157       4.0221      0.00000
    158       4.0918      0.00000
    159       4.2239      0.00000
    160       4.3608      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1213      1.00000
      2     -22.1033      1.00000
      3     -21.9191      1.00000
      4     -21.3622      1.00000
      5     -20.9950      1.00000
      6     -20.9823      1.00000
      7     -20.4438      1.00000
      8     -20.4290      1.00000
      9     -20.2485      1.00000
     10     -20.2473      1.00000
     11     -19.8927      1.00000
     12     -19.8774      1.00000
     13     -18.8273      1.00000
     14     -18.7993      1.00000
     15     -18.2839      1.00000
     16     -18.2786      1.00000
     17     -18.1158      1.00000
     18     -18.1084      1.00000
     19     -17.7661      1.00000
     20     -17.7624      1.00000
     21     -17.2351      1.00000
     22     -17.2062      1.00000
     23     -17.1103      1.00000
     24     -17.1049      1.00000
     25     -16.0986      1.00000
     26     -15.8336      1.00000
     27     -15.8250      1.00000
     28     -15.8119      1.00000
     29     -15.1789      1.00000
     30     -14.5159      1.00000
     31     -14.5020      1.00000
     32     -14.2242      1.00000
     33     -13.9675      1.00000
     34     -13.9281      1.00000
     35     -13.7943      1.00000
     36     -13.7814      1.00000
     37     -13.5593      1.00000
     38     -13.5406      1.00000
     39     -13.3331      1.00000
     40     -12.6159      1.00000
     41     -12.1305      1.00000
     42     -12.1199      1.00000
     43     -12.0093      1.00000
     44     -11.9911      1.00000
     45     -11.6539      1.00000
     46     -11.6379      1.00000
     47     -11.1440      1.00000
     48     -11.1061      1.00000
     49     -10.7647      1.00000
     50     -10.7053      1.00000
     51     -10.4454      1.00000
     52     -10.1734      1.00000
     53     -10.1663      1.00000
     54     -10.1499      1.00000
     55     -10.0054      1.00000
     56      -9.9659      1.00000
     57      -9.9397      1.00000
     58      -9.8170      1.00000
     59      -9.7655      1.00000
     60      -9.7477      1.00000
     61      -9.7314      1.00000
     62      -9.4375      1.00000
     63      -9.3361      1.00000
     64      -9.0803      1.00000
     65      -9.0425      1.00000
     66      -8.9674      1.00000
     67      -8.9428      1.00000
     68      -8.8017      1.00000
     69      -8.6832      1.00000
     70      -8.6666      1.00000
     71      -8.5507      1.00000
     72      -8.5177      1.00000
     73      -8.4439      1.00000
     74      -8.4373      1.00000
     75      -8.3026      1.00000
     76      -8.2326      1.00000
     77      -8.1099      1.00000
     78      -8.0491      1.00000
     79      -8.0277      1.00000
     80      -7.7929      1.00000
     81      -7.6034      1.00000
     82      -7.5958      1.00000
     83      -7.4596      1.00000
     84      -7.0070      1.00000
     85      -6.9521      1.00000
     86      -6.8690      1.00000
     87      -6.5780      1.00000
     88      -6.5414      1.00000
     89      -6.4608      1.00000
     90      -6.4079      1.00000
     91      -6.3324      1.00000
     92      -5.9865      1.00000
     93      -5.7706      1.00000
     94      -5.7293      1.00000
     95      -5.5584      1.00000
     96      -5.3814      1.00000
     97      -5.2033      1.00000
     98      -5.2013      1.00000
     99      -5.1813      1.00000
    100      -5.1608      1.00000
    101      -4.6546      1.00000
    102      -4.5029      1.00000
    103      -4.4448      1.00000
    104      -4.3860      1.00000
    105      -3.5748      1.00000
    106      -3.4368      1.00000
    107      -2.7385      0.00000
    108      -2.4049      0.00000
    109      -1.1642      0.00000
    110      -1.1639      0.00000
    111      -1.1462      0.00000
    112      -1.0525      0.00000
    113      -0.4929      0.00000
    114      -0.4833      0.00000
    115      -0.3253      0.00000
    116      -0.2495      0.00000
    117       0.0008      0.00000
    118       0.0040      0.00000
    119       0.5216      0.00000
    120       0.6642      0.00000
    121       0.8058      0.00000
    122       1.0028      0.00000
    123       1.2338      0.00000
    124       1.4812      0.00000
    125       1.7478      0.00000
    126       1.9367      0.00000
    127       1.9452      0.00000
    128       2.0056      0.00000
    129       2.0600      0.00000
    130       2.1628      0.00000
    131       2.2837      0.00000
    132       2.2894      0.00000
    133       2.3283      0.00000
    134       2.5430      0.00000
    135       2.6353      0.00000
    136       2.6759      0.00000
    137       2.8409      0.00000
    138       2.8859      0.00000
    139       2.9504      0.00000
    140       2.9740      0.00000
    141       3.0988      0.00000
    142       3.1309      0.00000
    143       3.1340      0.00000
    144       3.1697      0.00000
    145       3.2333      0.00000
    146       3.2413      0.00000
    147       3.3246      0.00000
    148       3.3461      0.00000
    149       3.3630      0.00000
    150       3.3969      0.00000
    151       3.5017      0.00000
    152       3.6077      0.00000
    153       3.6463      0.00000
    154       3.6522      0.00000
    155       3.8298      0.00000
    156       3.8943      0.00000
    157       3.9568      0.00000
    158       3.9797      0.00000
    159       4.0983      0.00000
    160       4.1944      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2245      1.00000
      2     -22.0363      1.00000
      3     -21.6722      1.00000
      4     -21.6461      1.00000
      5     -20.9309      1.00000
      6     -20.9002      1.00000
      7     -20.5610      1.00000
      8     -20.5402      1.00000
      9     -20.5301      1.00000
     10     -19.9928      1.00000
     11     -19.4717      1.00000
     12     -19.4379      1.00000
     13     -19.2852      1.00000
     14     -19.2575      1.00000
     15     -18.4008      1.00000
     16     -18.3686      1.00000
     17     -17.9013      1.00000
     18     -17.8685      1.00000
     19     -17.7155      1.00000
     20     -17.6809      1.00000
     21     -17.4165      1.00000
     22     -17.3852      1.00000
     23     -17.2912      1.00000
     24     -16.4608      1.00000
     25     -16.4219      1.00000
     26     -15.9414      1.00000
     27     -15.3822      1.00000
     28     -15.3545      1.00000
     29     -15.0708      1.00000
     30     -15.0416      1.00000
     31     -14.8067      1.00000
     32     -14.7845      1.00000
     33     -14.2900      1.00000
     34     -14.2178      1.00000
     35     -13.4471      1.00000
     36     -13.3636      1.00000
     37     -13.1537      1.00000
     38     -13.1225      1.00000
     39     -12.9650      1.00000
     40     -12.9346      1.00000
     41     -12.5864      1.00000
     42     -12.5597      1.00000
     43     -12.1750      1.00000
     44     -11.5385      1.00000
     45     -11.5028      1.00000
     46     -11.2762      1.00000
     47     -11.2478      1.00000
     48     -11.1326      1.00000
     49     -10.7720      1.00000
     50     -10.6308      1.00000
     51     -10.4531      1.00000
     52     -10.2824      1.00000
     53     -10.2750      1.00000
     54     -10.1690      1.00000
     55     -10.0930      1.00000
     56     -10.0597      1.00000
     57      -9.8084      1.00000
     58      -9.7072      1.00000
     59      -9.6914      1.00000
     60      -9.6841      1.00000
     61      -9.6735      1.00000
     62      -9.6072      1.00000
     63      -9.3458      1.00000
     64      -9.3187      1.00000
     65      -9.2928      1.00000
     66      -8.9696      1.00000
     67      -8.9281      1.00000
     68      -8.8801      1.00000
     69      -8.7492      1.00000
     70      -8.5644      1.00000
     71      -8.4847      1.00000
     72      -8.4007      1.00000
     73      -8.3617      1.00000
     74      -8.2857      1.00000
     75      -8.2392      1.00000
     76      -8.2233      1.00000
     77      -8.2093      1.00000
     78      -8.1958      1.00000
     79      -7.9949      1.00000
     80      -7.7804      1.00000
     81      -7.4174      1.00000
     82      -7.3239      1.00000
     83      -7.2445      1.00000
     84      -7.1452      1.00000
     85      -7.0991      1.00000
     86      -6.9603      1.00000
     87      -6.9126      1.00000
     88      -6.5850      1.00000
     89      -6.5612      1.00000
     90      -6.4350      1.00000
     91      -6.2467      1.00000
     92      -5.9027      1.00000
     93      -5.8241      1.00000
     94      -5.6772      1.00000
     95      -5.5874      1.00000
     96      -5.2928      1.00000
     97      -5.2595      1.00000
     98      -5.1872      1.00000
     99      -5.1857      1.00000
    100      -5.1638      1.00000
    101      -4.5245      1.00000
    102      -4.4577      1.00000
    103      -4.3986      1.00000
    104      -4.0817      1.00000
    105      -3.9349      1.00000
    106      -3.5199      1.00000
    107      -2.8201      0.00000
    108      -1.8016      0.00000
    109      -1.7908      0.00000
    110      -1.0843      0.00000
    111      -1.0113      0.00000
    112      -0.9276      0.00000
    113      -0.6564      0.00000
    114      -0.6110      0.00000
    115      -0.5746      0.00000
    116      -0.5299      0.00000
    117       0.1550      0.00000
    118       0.2591      0.00000
    119       0.6974      0.00000
    120       0.9726      0.00000
    121       1.0909      0.00000
    122       1.2557      0.00000
    123       1.4108      0.00000
    124       1.5283      0.00000
    125       1.5913      0.00000
    126       1.6089      0.00000
    127       1.6480      0.00000
    128       1.8211      0.00000
    129       1.9187      0.00000
    130       2.1023      0.00000
    131       2.1627      0.00000
    132       2.3203      0.00000
    133       2.3656      0.00000
    134       2.4577      0.00000
    135       2.5887      0.00000
    136       2.6557      0.00000
    137       2.7057      0.00000
    138       2.7147      0.00000
    139       2.8378      0.00000
    140       2.9286      0.00000
    141       3.0452      0.00000
    142       3.0652      0.00000
    143       3.1745      0.00000
    144       3.2731      0.00000
    145       3.3200      0.00000
    146       3.3222      0.00000
    147       3.4487      0.00000
    148       3.5143      0.00000
    149       3.5570      0.00000
    150       3.5964      0.00000
    151       3.6078      0.00000
    152       3.6775      0.00000
    153       3.7155      0.00000
    154       3.7387      0.00000
    155       3.7403      0.00000
    156       3.8242      0.00000
    157       3.9061      0.00000
    158       3.9745      0.00000
    159       4.0049      0.00000
    160       4.2419      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3747      1.00000
      2     -21.5083      1.00000
      3     -21.4322      1.00000
      4     -21.4319      1.00000
      5     -21.4209      1.00000
      6     -21.4105      1.00000
      7     -21.4062      1.00000
      8     -19.6700      1.00000
      9     -19.5985      1.00000
     10     -19.5936      1.00000
     11     -19.5828      1.00000
     12     -19.5706      1.00000
     13     -19.5669      1.00000
     14     -18.7690      1.00000
     15     -18.7042      1.00000
     16     -18.6985      1.00000
     17     -18.6851      1.00000
     18     -18.6774      1.00000
     19     -18.6709      1.00000
     20     -16.6372      1.00000
     21     -16.5526      1.00000
     22     -16.5435      1.00000
     23     -16.5401      1.00000
     24     -16.5272      1.00000
     25     -16.5199      1.00000
     26     -15.6155      1.00000
     27     -15.5658      1.00000
     28     -15.5302      1.00000
     29     -15.5203      1.00000
     30     -15.5194      1.00000
     31     -15.5145      1.00000
     32     -14.2585      1.00000
     33     -14.2224      1.00000
     34     -14.1967      1.00000
     35     -14.1963      1.00000
     36     -14.1779      1.00000
     37     -14.1733      1.00000
     38     -11.9900      1.00000
     39     -11.8761      1.00000
     40     -11.8278      1.00000
     41     -11.8139      1.00000
     42     -11.8053      1.00000
     43     -11.7991      1.00000
     44     -11.7320      1.00000
     45     -11.7247      1.00000
     46     -11.7074      1.00000
     47     -11.6995      1.00000
     48     -11.6914      1.00000
     49     -11.6844      1.00000
     50     -10.6479      1.00000
     51     -10.3790      1.00000
     52     -10.3572      1.00000
     53     -10.3441      1.00000
     54     -10.3270      1.00000
     55     -10.3193      1.00000
     56     -10.2973      1.00000
     57      -9.7959      1.00000
     58      -9.4123      1.00000
     59      -9.3935      1.00000
     60      -9.3550      1.00000
     61      -9.3446      1.00000
     62      -9.3345      1.00000
     63      -9.1786      1.00000
     64      -9.0810      1.00000
     65      -9.0784      1.00000
     66      -9.0642      1.00000
     67      -9.0628      1.00000
     68      -9.0346      1.00000
     69      -9.0291      1.00000
     70      -9.0286      1.00000
     71      -9.0148      1.00000
     72      -9.0046      1.00000
     73      -8.9975      1.00000
     74      -8.9737      1.00000
     75      -7.9882      1.00000
     76      -7.7033      1.00000
     77      -7.5087      1.00000
     78      -7.4862      1.00000
     79      -7.4607      1.00000
     80      -7.4149      1.00000
     81      -7.3990      1.00000
     82      -7.3780      1.00000
     83      -7.3506      1.00000
     84      -7.2262      1.00000
     85      -7.1831      1.00000
     86      -7.1802      1.00000
     87      -7.1761      1.00000
     88      -6.6136      1.00000
     89      -6.5805      1.00000
     90      -6.3696      1.00000
     91      -6.3596      1.00000
     92      -6.3204      1.00000
     93      -6.2928      1.00000
     94      -5.9506      1.00000
     95      -5.8903      1.00000
     96      -5.3606      1.00000
     97      -5.1966      1.00000
     98      -4.8442      1.00000
     99      -4.7175      1.00000
    100      -4.3663      1.00000
    101      -4.3613      1.00000
    102      -4.3452      1.00000
    103      -4.3409      1.00000
    104      -4.1710      1.00000
    105      -3.9317      1.00000
    106      -3.5947      1.00000
    107      -2.9264      0.00000
    108      -1.5604      0.00000
    109      -1.5495      0.00000
    110      -1.5370      0.00000
    111      -1.5345      0.00000
    112      -1.4867      0.00000
    113      -1.4642      0.00000
    114       0.0758      0.00000
    115       0.2323      0.00000
    116       0.2772      0.00000
    117       0.3002      0.00000
    118       0.3053      0.00000
    119       0.3725      0.00000
    120       0.6022      0.00000
    121       1.2631      0.00000
    122       1.3414      0.00000
    123       1.6764      0.00000
    124       1.7447      0.00000
    125       1.7665      0.00000
    126       1.7712      0.00000
    127       1.8321      0.00000
    128       1.8683      0.00000
    129       1.9992      0.00000
    130       2.0038      0.00000
    131       2.0163      0.00000
    132       2.0196      0.00000
    133       2.0220      0.00000
    134       2.0811      0.00000
    135       2.3030      0.00000
    136       2.4668      0.00000
    137       2.5632      0.00000
    138       2.5648      0.00000
    139       2.5912      0.00000
    140       2.7216      0.00000
    141       2.8108      0.00000
    142       2.9980      0.00000
    143       3.0035      0.00000
    144       3.0110      0.00000
    145       3.0112      0.00000
    146       3.0528      0.00000
    147       3.0754      0.00000
    148       3.4374      0.00000
    149       3.5294      0.00000
    150       3.5818      0.00000
    151       3.8951      0.00000
    152       3.8968      0.00000
    153       3.9224      0.00000
    154       3.9455      0.00000
    155       3.9846      0.00000
    156       4.0383      0.00000
    157       4.1549      0.00000
    158       4.1797      0.00000
    159       4.2316      0.00000
    160       4.2473      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3372      1.00000
      2     -21.7749      1.00000
      3     -21.6006      1.00000
      4     -21.5689      1.00000
      5     -21.2254      1.00000
      6     -21.1962      1.00000
      7     -21.0234      1.00000
      8     -20.1232      1.00000
      9     -20.0894      1.00000
     10     -19.5742      1.00000
     11     -19.5466      1.00000
     12     -19.3816      1.00000
     13     -19.0539      1.00000
     14     -19.0207      1.00000
     15     -19.0080      1.00000
     16     -18.9962      1.00000
     17     -18.3309      1.00000
     18     -18.3052      1.00000
     19     -17.9854      1.00000
     20     -17.0406      1.00000
     21     -16.9876      1.00000
     22     -16.9235      1.00000
     23     -16.8956      1.00000
     24     -16.4398      1.00000
     25     -16.4129      1.00000
     26     -15.5960      1.00000
     27     -15.5569      1.00000
     28     -15.2411      1.00000
     29     -15.1986      1.00000
     30     -15.1343      1.00000
     31     -15.0609      1.00000
     32     -15.0284      1.00000
     33     -14.6716      1.00000
     34     -14.6523      1.00000
     35     -13.7086      1.00000
     36     -13.6828      1.00000
     37     -13.2045      1.00000
     38     -12.6031      1.00000
     39     -12.5386      1.00000
     40     -12.4215      1.00000
     41     -12.4060      1.00000
     42     -12.1147      1.00000
     43     -12.0725      1.00000
     44     -11.6979      1.00000
     45     -11.6490      1.00000
     46     -11.2382      1.00000
     47     -11.1871      1.00000
     48     -11.0108      1.00000
     49     -10.9747      1.00000
     50     -10.9147      1.00000
     51     -10.8659      1.00000
     52     -10.5331      1.00000
     53     -10.1285      1.00000
     54     -10.1246      1.00000
     55     -10.0825      1.00000
     56      -9.9223      1.00000
     57      -9.7115      1.00000
     58      -9.6711      1.00000
     59      -9.6158      1.00000
     60      -9.5844      1.00000
     61      -9.5451      1.00000
     62      -9.4810      1.00000
     63      -9.2999      1.00000
     64      -9.2788      1.00000
     65      -9.2302      1.00000
     66      -9.1773      1.00000
     67      -9.1128      1.00000
     68      -9.0784      1.00000
     69      -9.0665      1.00000
     70      -8.9077      1.00000
     71      -8.8472      1.00000
     72      -8.6046      1.00000
     73      -8.5697      1.00000
     74      -8.1246      1.00000
     75      -8.0473      1.00000
     76      -7.9502      1.00000
     77      -7.8320      1.00000
     78      -7.7940      1.00000
     79      -7.7309      1.00000
     80      -7.6959      1.00000
     81      -7.3501      1.00000
     82      -7.3347      1.00000
     83      -7.3291      1.00000
     84      -7.2704      1.00000
     85      -7.0687      1.00000
     86      -6.9842      1.00000
     87      -6.8271      1.00000
     88      -6.7514      1.00000
     89      -6.6453      1.00000
     90      -6.5669      1.00000
     91      -6.1374      1.00000
     92      -6.1046      1.00000
     93      -6.0977      1.00000
     94      -5.9698      1.00000
     95      -5.7387      1.00000
     96      -5.3967      1.00000
     97      -5.2114      1.00000
     98      -4.9443      1.00000
     99      -4.8027      1.00000
    100      -4.6400      1.00000
    101      -4.5395      1.00000
    102      -4.4883      1.00000
    103      -4.3661      1.00000
    104      -4.0476      1.00000
    105      -3.8134      1.00000
    106      -3.5720      1.00000
    107      -2.9481      0.00000
    108      -1.7224      0.00000
    109      -1.6804      0.00000
    110      -1.2947      0.00000
    111      -1.2777      0.00000
    112      -1.2440      0.00000
    113      -1.2137      0.00000
    114      -0.5608      0.00000
    115      -0.1958      0.00000
    116      -0.1709      0.00000
    117       0.6232      0.00000
    118       0.6688      0.00000
    119       0.7227      0.00000
    120       0.9831      0.00000
    121       1.1152      0.00000
    122       1.2383      0.00000
    123       1.3270      0.00000
    124       1.4246      0.00000
    125       1.4869      0.00000
    126       1.7278      0.00000
    127       1.7439      0.00000
    128       1.7880      0.00000
    129       1.8442      0.00000
    130       1.9439      0.00000
    131       2.1529      0.00000
    132       2.1959      0.00000
    133       2.2319      0.00000
    134       2.4172      0.00000
    135       2.5097      0.00000
    136       2.5776      0.00000
    137       2.6726      0.00000
    138       2.6869      0.00000
    139       2.7496      0.00000
    140       2.7800      0.00000
    141       2.8138      0.00000
    142       2.8480      0.00000
    143       2.9680      0.00000
    144       3.0274      0.00000
    145       3.2379      0.00000
    146       3.3099      0.00000
    147       3.3376      0.00000
    148       3.4367      0.00000
    149       3.5060      0.00000
    150       3.5488      0.00000
    151       3.6306      0.00000
    152       3.7087      0.00000
    153       3.7406      0.00000
    154       3.9124      0.00000
    155       3.9394      0.00000
    156       4.0056      0.00000
    157       4.0506      0.00000
    158       4.1344      0.00000
    159       4.2660      0.00000
    160       4.3494      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2257      1.00000
      2     -22.0342      1.00000
      3     -21.6749      1.00000
      4     -21.6438      1.00000
      5     -20.9316      1.00000
      6     -20.8993      1.00000
      7     -20.5712      1.00000
      8     -20.5360      1.00000
      9     -20.5264      1.00000
     10     -19.9947      1.00000
     11     -19.4686      1.00000
     12     -19.4386      1.00000
     13     -19.2765      1.00000
     14     -19.2558      1.00000
     15     -18.4101      1.00000
     16     -18.3706      1.00000
     17     -17.8990      1.00000
     18     -17.8660      1.00000
     19     -17.7216      1.00000
     20     -17.6857      1.00000
     21     -17.4123      1.00000
     22     -17.3830      1.00000
     23     -17.3102      1.00000
     24     -16.4331      1.00000
     25     -16.4125      1.00000
     26     -15.9187      1.00000
     27     -15.3930      1.00000
     28     -15.3601      1.00000
     29     -15.0757      1.00000
     30     -15.0471      1.00000
     31     -14.8429      1.00000
     32     -14.8085      1.00000
     33     -14.2575      1.00000
     34     -14.2150      1.00000
     35     -13.4163      1.00000
     36     -13.3606      1.00000
     37     -13.1630      1.00000
     38     -13.1337      1.00000
     39     -12.9379      1.00000
     40     -12.9284      1.00000
     41     -12.6061      1.00000
     42     -12.5738      1.00000
     43     -12.1723      1.00000
     44     -11.5658      1.00000
     45     -11.5045      1.00000
     46     -11.3045      1.00000
     47     -11.2505      1.00000
     48     -11.1239      1.00000
     49     -10.6842      1.00000
     50     -10.6328      1.00000
     51     -10.4502      1.00000
     52     -10.2918      1.00000
     53     -10.2774      1.00000
     54     -10.1632      1.00000
     55     -10.0860      1.00000
     56     -10.0711      1.00000
     57      -9.7904      1.00000
     58      -9.7434      1.00000
     59      -9.6959      1.00000
     60      -9.6755      1.00000
     61      -9.6638      1.00000
     62      -9.5995      1.00000
     63      -9.3393      1.00000
     64      -9.3242      1.00000
     65      -9.2874      1.00000
     66      -9.0342      1.00000
     67      -8.9344      1.00000
     68      -8.8464      1.00000
     69      -8.7630      1.00000
     70      -8.5939      1.00000
     71      -8.4983      1.00000
     72      -8.3720      1.00000
     73      -8.3658      1.00000
     74      -8.3066      1.00000
     75      -8.2483      1.00000
     76      -8.2458      1.00000
     77      -8.2263      1.00000
     78      -8.1982      1.00000
     79      -7.8742      1.00000
     80      -7.7480      1.00000
     81      -7.3719      1.00000
     82      -7.3139      1.00000
     83      -7.2993      1.00000
     84      -7.2090      1.00000
     85      -7.1816      1.00000
     86      -6.9506      1.00000
     87      -6.9327      1.00000
     88      -6.5952      1.00000
     89      -6.5405      1.00000
     90      -6.2678      1.00000
     91      -6.2022      1.00000
     92      -5.9863      1.00000
     93      -5.8164      1.00000
     94      -5.6729      1.00000
     95      -5.5172      1.00000
     96      -5.3321      1.00000
     97      -5.3106      1.00000
     98      -5.1965      1.00000
     99      -5.1922      1.00000
    100      -5.1123      1.00000
    101      -4.6894      1.00000
    102      -4.5521      1.00000
    103      -4.4533      1.00000
    104      -3.9161      1.00000
    105      -3.7079      1.00000
    106      -3.5377      1.00000
    107      -2.9695      0.00000
    108      -1.8217      0.00000
    109      -1.7670      0.00000
    110      -1.0858      0.00000
    111      -0.9777      0.00000
    112      -0.9414      0.00000
    113      -0.6480      0.00000
    114      -0.6105      0.00000
    115      -0.5692      0.00000
    116      -0.5319      0.00000
    117       0.1735      0.00000
    118       0.2569      0.00000
    119       0.7769      0.00000
    120       0.9966      0.00000
    121       1.1084      0.00000
    122       1.1636      0.00000
    123       1.3522      0.00000
    124       1.4697      0.00000
    125       1.5847      0.00000
    126       1.5912      0.00000
    127       1.6584      0.00000
    128       1.8787      0.00000
    129       1.9256      0.00000
    130       2.0117      0.00000
    131       2.1541      0.00000
    132       2.3321      0.00000
    133       2.3781      0.00000
    134       2.3952      0.00000
    135       2.5897      0.00000
    136       2.6721      0.00000
    137       2.6964      0.00000
    138       2.7497      0.00000
    139       2.8273      0.00000
    140       2.9905      0.00000
    141       3.0337      0.00000
    142       3.0707      0.00000
    143       3.1262      0.00000
    144       3.2401      0.00000
    145       3.3190      0.00000
    146       3.3595      0.00000
    147       3.4342      0.00000
    148       3.5278      0.00000
    149       3.5681      0.00000
    150       3.6000      0.00000
    151       3.6468      0.00000
    152       3.6973      0.00000
    153       3.7305      0.00000
    154       3.7503      0.00000
    155       3.7817      0.00000
    156       3.9032      0.00000
    157       3.9091      0.00000
    158       4.0038      0.00000
    159       4.2173      0.00000
    160       4.2777      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2627      1.00000
      2     -21.8918      1.00000
      3     -21.8777      1.00000
      4     -21.3297      1.00000
      5     -21.3167      1.00000
      6     -20.7750      1.00000
      7     -20.7589      1.00000
      8     -20.5824      1.00000
      9     -20.0315      1.00000
     10     -20.0295      1.00000
     11     -19.6755      1.00000
     12     -19.6600      1.00000
     13     -18.9511      1.00000
     14     -18.9506      1.00000
     15     -18.5937      1.00000
     16     -18.5932      1.00000
     17     -18.4231      1.00000
     18     -17.6490      1.00000
     19     -17.5921      1.00000
     20     -17.5708      1.00000
     21     -17.5654      1.00000
     22     -17.0752      1.00000
     23     -17.0745      1.00000
     24     -16.9156      1.00000
     25     -15.9494      1.00000
     26     -15.9115      1.00000
     27     -15.5493      1.00000
     28     -15.5331      1.00000
     29     -15.2776      1.00000
     30     -14.8172      1.00000
     31     -14.7947      1.00000
     32     -14.5462      1.00000
     33     -14.5148      1.00000
     34     -14.1342      1.00000
     35     -14.1293      1.00000
     36     -13.1020      1.00000
     37     -13.0453      1.00000
     38     -13.0228      1.00000
     39     -12.9910      1.00000
     40     -12.6799      1.00000
     41     -12.6775      1.00000
     42     -12.2893      1.00000
     43     -12.2817      1.00000
     44     -11.6569      1.00000
     45     -11.6017      1.00000
     46     -11.5452      1.00000
     47     -10.9432      1.00000
     48     -10.8933      1.00000
     49     -10.6402      1.00000
     50     -10.5982      1.00000
     51     -10.4752      1.00000
     52     -10.4634      1.00000
     53     -10.4059      1.00000
     54     -10.4031      1.00000
     55     -10.3199      1.00000
     56     -10.0432      1.00000
     57      -9.8779      1.00000
     58      -9.5911      1.00000
     59      -9.5260      1.00000
     60      -9.5055      1.00000
     61      -9.3791      1.00000
     62      -9.3737      1.00000
     63      -9.3434      1.00000
     64      -9.2964      1.00000
     65      -9.2436      1.00000
     66      -9.1730      1.00000
     67      -9.1291      1.00000
     68      -9.0893      1.00000
     69      -8.8458      1.00000
     70      -8.8248      1.00000
     71      -8.6854      1.00000
     72      -8.5775      1.00000
     73      -8.4230      1.00000
     74      -8.2018      1.00000
     75      -8.1554      1.00000
     76      -7.9729      1.00000
     77      -7.8837      1.00000
     78      -7.8213      1.00000
     79      -7.7943      1.00000
     80      -7.7694      1.00000
     81      -7.6782      1.00000
     82      -7.6230      1.00000
     83      -7.4131      1.00000
     84      -7.3535      1.00000
     85      -6.9001      1.00000
     86      -6.8928      1.00000
     87      -6.7310      1.00000
     88      -6.6496      1.00000
     89      -6.4076      1.00000
     90      -6.3294      1.00000
     91      -6.2912      1.00000
     92      -6.1867      1.00000
     93      -5.9779      1.00000
     94      -5.5866      1.00000
     95      -5.4787      1.00000
     96      -5.4151      1.00000
     97      -5.3759      1.00000
     98      -5.1997      1.00000
     99      -5.1113      1.00000
    100      -4.7514      1.00000
    101      -4.7066      1.00000
    102      -4.5707      1.00000
    103      -4.4214      1.00000
    104      -4.2031      1.00000
    105      -3.5557      1.00000
    106      -3.3919      1.00000
    107      -3.0540      0.00000
    108      -2.1103      0.00000
    109      -1.2525      0.00000
    110      -1.2070      0.00000
    111      -1.1789      0.00000
    112      -0.9322      0.00000
    113      -0.8332      0.00000
    114      -0.7827      0.00000
    115      -0.7014      0.00000
    116       0.1930      0.00000
    117       0.1977      0.00000
    118       0.3071      0.00000
    119       0.7557      0.00000
    120       0.8185      0.00000
    121       0.9088      0.00000
    122       1.1058      0.00000
    123       1.3223      0.00000
    124       1.4990      0.00000
    125       1.5583      0.00000
    126       1.8043      0.00000
    127       1.8299      0.00000
    128       1.8488      0.00000
    129       1.9460      0.00000
    130       1.9517      0.00000
    131       2.2352      0.00000
    132       2.3695      0.00000
    133       2.3947      0.00000
    134       2.4175      0.00000
    135       2.5409      0.00000
    136       2.5764      0.00000
    137       2.6246      0.00000
    138       2.6966      0.00000
    139       2.7292      0.00000
    140       2.9455      0.00000
    141       3.0367      0.00000
    142       3.1154      0.00000
    143       3.1538      0.00000
    144       3.1884      0.00000
    145       3.2163      0.00000
    146       3.2930      0.00000
    147       3.3188      0.00000
    148       3.4911      0.00000
    149       3.4962      0.00000
    150       3.6158      0.00000
    151       3.6692      0.00000
    152       3.6988      0.00000
    153       3.7722      0.00000
    154       3.9335      0.00000
    155       3.9549      0.00000
    156       3.9618      0.00000
    157       3.9718      0.00000
    158       4.0177      0.00000
    159       4.1651      0.00000
    160       4.2423      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1311      1.00000
      2     -22.0918      1.00000
      3     -21.9208      1.00000
      4     -21.3612      1.00000
      5     -21.0071      1.00000
      6     -20.9708      1.00000
      7     -20.4554      1.00000
      8     -20.4169      1.00000
      9     -20.2644      1.00000
     10     -20.2343      1.00000
     11     -19.9028      1.00000
     12     -19.8647      1.00000
     13     -18.8297      1.00000
     14     -18.7857      1.00000
     15     -18.3158      1.00000
     16     -18.2646      1.00000
     17     -18.1242      1.00000
     18     -18.0935      1.00000
     19     -17.7891      1.00000
     20     -17.7493      1.00000
     21     -17.2305      1.00000
     22     -17.1918      1.00000
     23     -17.1380      1.00000
     24     -17.0946      1.00000
     25     -16.0584      1.00000
     26     -15.8646      1.00000
     27     -15.8226      1.00000
     28     -15.7891      1.00000
     29     -15.2141      1.00000
     30     -14.5330      1.00000
     31     -14.4856      1.00000
     32     -14.2584      1.00000
     33     -13.9336      1.00000
     34     -13.9191      1.00000
     35     -13.7965      1.00000
     36     -13.7595      1.00000
     37     -13.5857      1.00000
     38     -13.5371      1.00000
     39     -13.3252      1.00000
     40     -12.5857      1.00000
     41     -12.1788      1.00000
     42     -12.1038      1.00000
     43     -12.0392      1.00000
     44     -11.9913      1.00000
     45     -11.6593      1.00000
     46     -11.6237      1.00000
     47     -11.1399      1.00000
     48     -11.0842      1.00000
     49     -10.7834      1.00000
     50     -10.7053      1.00000
     51     -10.4079      1.00000
     52     -10.1972      1.00000
     53     -10.1701      1.00000
     54     -10.1294      1.00000
     55      -9.9960      1.00000
     56      -9.9839      1.00000
     57      -9.9429      1.00000
     58      -9.7963      1.00000
     59      -9.7759      1.00000
     60      -9.7442      1.00000
     61      -9.7197      1.00000
     62      -9.4385      1.00000
     63      -9.3373      1.00000
     64      -9.0920      1.00000
     65      -9.0480      1.00000
     66      -9.0043      1.00000
     67      -8.8941      1.00000
     68      -8.8287      1.00000
     69      -8.7117      1.00000
     70      -8.6686      1.00000
     71      -8.5696      1.00000
     72      -8.5089      1.00000
     73      -8.4768      1.00000
     74      -8.4386      1.00000
     75      -8.3339      1.00000
     76      -8.2009      1.00000
     77      -8.0699      1.00000
     78      -7.9837      1.00000
     79      -7.9067      1.00000
     80      -7.8803      1.00000
     81      -7.6971      1.00000
     82      -7.5633      1.00000
     83      -7.4971      1.00000
     84      -6.9803      1.00000
     85      -6.9097      1.00000
     86      -6.8592      1.00000
     87      -6.7430      1.00000
     88      -6.5226      1.00000
     89      -6.4705      1.00000
     90      -6.3812      1.00000
     91      -6.1941      1.00000
     92      -5.9337      1.00000
     93      -5.7970      1.00000
     94      -5.7553      1.00000
     95      -5.5576      1.00000
     96      -5.3800      1.00000
     97      -5.2465      1.00000
     98      -5.1976      1.00000
     99      -5.1873      1.00000
    100      -5.1266      1.00000
    101      -4.8092      1.00000
    102      -4.5411      1.00000
    103      -4.4596      1.00000
    104      -4.2466      1.00000
    105      -3.5566      1.00000
    106      -3.2934      1.00000
    107      -2.9391      0.00000
    108      -2.3487      0.00000
    109      -1.1835      0.00000
    110      -1.1679      0.00000
    111      -1.1208      0.00000
    112      -1.0596      0.00000
    113      -0.5047      0.00000
    114      -0.4571      0.00000
    115      -0.3012      0.00000
    116      -0.2727      0.00000
    117      -0.0009      0.00000
    118       0.0346      0.00000
    119       0.5284      0.00000
    120       0.6391      0.00000
    121       0.8699      0.00000
    122       0.9672      0.00000
    123       1.1865      0.00000
    124       1.5208      0.00000
    125       1.7366      0.00000
    126       1.7549      0.00000
    127       1.9975      0.00000
    128       2.0672      0.00000
    129       2.1171      0.00000
    130       2.1367      0.00000
    131       2.2434      0.00000
    132       2.2984      0.00000
    133       2.3343      0.00000
    134       2.4506      0.00000
    135       2.6656      0.00000
    136       2.7512      0.00000
    137       2.7886      0.00000
    138       2.8768      0.00000
    139       2.9476      0.00000
    140       2.9821      0.00000
    141       3.0385      0.00000
    142       3.0940      0.00000
    143       3.1418      0.00000
    144       3.2278      0.00000
    145       3.2456      0.00000
    146       3.2830      0.00000
    147       3.3125      0.00000
    148       3.3376      0.00000
    149       3.3631      0.00000
    150       3.5138      0.00000
    151       3.5713      0.00000
    152       3.6264      0.00000
    153       3.6553      0.00000
    154       3.6997      0.00000
    155       3.7178      0.00000
    156       3.7816      0.00000
    157       3.9540      0.00000
    158       4.0463      0.00000
    159       4.1041      0.00000
    160       4.2420      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2622      1.00000
      2     -21.9040      1.00000
      3     -21.8656      1.00000
      4     -21.3416      1.00000
      5     -21.3056      1.00000
      6     -20.7853      1.00000
      7     -20.7468      1.00000
      8     -20.5807      1.00000
      9     -20.0510      1.00000
     10     -20.0151      1.00000
     11     -19.6836      1.00000
     12     -19.6482      1.00000
     13     -18.9716      1.00000
     14     -18.9336      1.00000
     15     -18.6164      1.00000
     16     -18.5790      1.00000
     17     -18.4191      1.00000
     18     -17.6355      1.00000
     19     -17.5865      1.00000
     20     -17.5687      1.00000
     21     -17.5503      1.00000
     22     -17.1021      1.00000
     23     -17.0580      1.00000
     24     -16.9439      1.00000
     25     -15.9875      1.00000
     26     -15.8706      1.00000
     27     -15.5706      1.00000
     28     -15.5311      1.00000
     29     -15.2306      1.00000
     30     -14.8534      1.00000
     31     -14.7955      1.00000
     32     -14.5416      1.00000
     33     -14.4991      1.00000
     34     -14.1320      1.00000
     35     -14.1186      1.00000
     36     -13.1616      1.00000
     37     -13.0525      1.00000
     38     -12.9981      1.00000
     39     -12.9764      1.00000
     40     -12.7016      1.00000
     41     -12.6562      1.00000
     42     -12.3017      1.00000
     43     -12.2817      1.00000
     44     -11.6237      1.00000
     45     -11.5871      1.00000
     46     -11.5267      1.00000
     47     -10.9250      1.00000
     48     -10.9001      1.00000
     49     -10.7160      1.00000
     50     -10.5684      1.00000
     51     -10.5381      1.00000
     52     -10.4701      1.00000
     53     -10.4301      1.00000
     54     -10.3694      1.00000
     55     -10.3164      1.00000
     56     -10.0370      1.00000
     57      -9.8728      1.00000
     58      -9.6034      1.00000
     59      -9.5232      1.00000
     60      -9.4572      1.00000
     61      -9.4097      1.00000
     62      -9.3735      1.00000
     63      -9.3416      1.00000
     64      -9.3009      1.00000
     65      -9.2482      1.00000
     66      -9.1372      1.00000
     67      -9.0887      1.00000
     68      -9.0722      1.00000
     69      -8.8533      1.00000
     70      -8.8368      1.00000
     71      -8.7049      1.00000
     72      -8.5620      1.00000
     73      -8.4396      1.00000
     74      -8.1991      1.00000
     75      -8.1729      1.00000
     76      -8.0407      1.00000
     77      -7.8680      1.00000
     78      -7.8037      1.00000
     79      -7.7752      1.00000
     80      -7.7207      1.00000
     81      -7.6814      1.00000
     82      -7.6425      1.00000
     83      -7.4484      1.00000
     84      -7.3106      1.00000
     85      -6.9233      1.00000
     86      -6.8890      1.00000
     87      -6.7779      1.00000
     88      -6.5610      1.00000
     89      -6.3934      1.00000
     90      -6.3253      1.00000
     91      -6.2805      1.00000
     92      -6.1711      1.00000
     93      -6.0684      1.00000
     94      -5.7831      1.00000
     95      -5.5354      1.00000
     96      -5.3567      1.00000
     97      -5.2065      1.00000
     98      -5.1799      1.00000
     99      -5.0336      1.00000
    100      -4.8139      1.00000
    101      -4.6748      1.00000
    102      -4.4956      1.00000
    103      -4.4337      1.00000
    104      -4.2372      1.00000
    105      -3.6375      1.00000
    106      -3.5482      1.00000
    107      -2.8485      0.00000
    108      -2.1349      0.00000
    109      -1.2455      0.00000
    110      -1.1942      0.00000
    111      -1.1766      0.00000
    112      -0.8912      0.00000
    113      -0.8685      0.00000
    114      -0.7903      0.00000
    115      -0.7568      0.00000
    116       0.1413      0.00000
    117       0.2431      0.00000
    118       0.3131      0.00000
    119       0.7081      0.00000
    120       0.8551      0.00000
    121       0.9355      0.00000
    122       1.1600      0.00000
    123       1.2483      0.00000
    124       1.5150      0.00000
    125       1.5489      0.00000
    126       1.7962      0.00000
    127       1.8565      0.00000
    128       1.8796      0.00000
    129       1.9454      0.00000
    130       2.0333      0.00000
    131       2.2088      0.00000
    132       2.3119      0.00000
    133       2.3810      0.00000
    134       2.4297      0.00000
    135       2.5661      0.00000
    136       2.6013      0.00000
    137       2.6634      0.00000
    138       2.7050      0.00000
    139       2.7415      0.00000
    140       2.8759      0.00000
    141       3.0243      0.00000
    142       3.1200      0.00000
    143       3.1652      0.00000
    144       3.1812      0.00000
    145       3.2215      0.00000
    146       3.2610      0.00000
    147       3.3085      0.00000
    148       3.4322      0.00000
    149       3.5105      0.00000
    150       3.5930      0.00000
    151       3.6691      0.00000
    152       3.6913      0.00000
    153       3.8420      0.00000
    154       3.9047      0.00000
    155       3.9128      0.00000
    156       3.9409      0.00000
    157       3.9707      0.00000
    158       3.9892      0.00000
    159       4.0647      0.00000
    160       4.1511      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3371      1.00000
      2     -21.7765      1.00000
      3     -21.5964      1.00000
      4     -21.5713      1.00000
      5     -21.2268      1.00000
      6     -21.1972      1.00000
      7     -21.0209      1.00000
      8     -20.1218      1.00000
      9     -20.0897      1.00000
     10     -19.5814      1.00000
     11     -19.5464      1.00000
     12     -19.3739      1.00000
     13     -19.0641      1.00000
     14     -19.0233      1.00000
     15     -19.0064      1.00000
     16     -18.9881      1.00000
     17     -18.3374      1.00000
     18     -18.3058      1.00000
     19     -17.9731      1.00000
     20     -17.0239      1.00000
     21     -16.9809      1.00000
     22     -16.9289      1.00000
     23     -16.9037      1.00000
     24     -16.4613      1.00000
     25     -16.4268      1.00000
     26     -15.5783      1.00000
     27     -15.5498      1.00000
     28     -15.2024      1.00000
     29     -15.1795      1.00000
     30     -15.1661      1.00000
     31     -15.0881      1.00000
     32     -15.0338      1.00000
     33     -14.6732      1.00000
     34     -14.6469      1.00000
     35     -13.7059      1.00000
     36     -13.6740      1.00000
     37     -13.2090      1.00000
     38     -12.6443      1.00000
     39     -12.5427      1.00000
     40     -12.4292      1.00000
     41     -12.4064      1.00000
     42     -12.0719      1.00000
     43     -12.0511      1.00000
     44     -11.6815      1.00000
     45     -11.6497      1.00000
     46     -11.2932      1.00000
     47     -11.1902      1.00000
     48     -10.9975      1.00000
     49     -10.9652      1.00000
     50     -10.8898      1.00000
     51     -10.8579      1.00000
     52     -10.5654      1.00000
     53     -10.2106      1.00000
     54     -10.1222      1.00000
     55     -10.0627      1.00000
     56      -9.8926      1.00000
     57      -9.6633      1.00000
     58      -9.6618      1.00000
     59      -9.6285      1.00000
     60      -9.6034      1.00000
     61      -9.5367      1.00000
     62      -9.4767      1.00000
     63      -9.3141      1.00000
     64      -9.2654      1.00000
     65      -9.2268      1.00000
     66      -9.1954      1.00000
     67      -9.0966      1.00000
     68      -9.0922      1.00000
     69      -9.0714      1.00000
     70      -8.9043      1.00000
     71      -8.8434      1.00000
     72      -8.5741      1.00000
     73      -8.5592      1.00000
     74      -8.1739      1.00000
     75      -8.0127      1.00000
     76      -7.9483      1.00000
     77      -7.8859      1.00000
     78      -7.7787      1.00000
     79      -7.7288      1.00000
     80      -7.7139      1.00000
     81      -7.4065      1.00000
     82      -7.2862      1.00000
     83      -7.2499      1.00000
     84      -7.2220      1.00000
     85      -7.1528      1.00000
     86      -6.9695      1.00000
     87      -6.8588      1.00000
     88      -6.6969      1.00000
     89      -6.6660      1.00000
     90      -6.5858      1.00000
     91      -6.1637      1.00000
     92      -6.0910      1.00000
     93      -6.0733      1.00000
     94      -5.9105      1.00000
     95      -5.8824      1.00000
     96      -5.3760      1.00000
     97      -5.1946      1.00000
     98      -4.8763      1.00000
     99      -4.8587      1.00000
    100      -4.6460      1.00000
    101      -4.5266      1.00000
    102      -4.3924      1.00000
    103      -4.2677      1.00000
    104      -4.0669      1.00000
    105      -4.0459      1.00000
    106      -3.5663      1.00000
    107      -2.8705      0.00000
    108      -1.7027      0.00000
    109      -1.6964      0.00000
    110      -1.3079      0.00000
    111      -1.2657      0.00000
    112      -1.2361      0.00000
    113      -1.2326      0.00000
    114      -0.5722      0.00000
    115      -0.2557      0.00000
    116      -0.1162      0.00000
    117       0.5794      0.00000
    118       0.6657      0.00000
    119       0.8073      0.00000
    120       0.9528      0.00000
    121       1.1367      0.00000
    122       1.2020      0.00000
    123       1.2733      0.00000
    124       1.4314      0.00000
    125       1.6057      0.00000
    126       1.6747      0.00000
    127       1.7460      0.00000
    128       1.7650      0.00000
    129       1.9130      0.00000
    130       1.9339      0.00000
    131       2.1778      0.00000
    132       2.1841      0.00000
    133       2.2174      0.00000
    134       2.4667      0.00000
    135       2.4745      0.00000
    136       2.5631      0.00000
    137       2.6134      0.00000
    138       2.7006      0.00000
    139       2.7692      0.00000
    140       2.7922      0.00000
    141       2.8578      0.00000
    142       2.9385      0.00000
    143       2.9580      0.00000
    144       2.9969      0.00000
    145       3.1131      0.00000
    146       3.3164      0.00000
    147       3.3404      0.00000
    148       3.4006      0.00000
    149       3.5449      0.00000
    150       3.5911      0.00000
    151       3.6312      0.00000
    152       3.6528      0.00000
    153       3.7716      0.00000
    154       3.7737      0.00000
    155       3.9939      0.00000
    156       4.0180      0.00000
    157       4.0221      0.00000
    158       4.0917      0.00000
    159       4.2236      0.00000
    160       4.3615      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1213      1.00000
      2     -22.1033      1.00000
      3     -21.9191      1.00000
      4     -21.3622      1.00000
      5     -20.9950      1.00000
      6     -20.9823      1.00000
      7     -20.4438      1.00000
      8     -20.4290      1.00000
      9     -20.2485      1.00000
     10     -20.2473      1.00000
     11     -19.8927      1.00000
     12     -19.8774      1.00000
     13     -18.8273      1.00000
     14     -18.7993      1.00000
     15     -18.2839      1.00000
     16     -18.2786      1.00000
     17     -18.1158      1.00000
     18     -18.1084      1.00000
     19     -17.7661      1.00000
     20     -17.7624      1.00000
     21     -17.2351      1.00000
     22     -17.2062      1.00000
     23     -17.1103      1.00000
     24     -17.1049      1.00000
     25     -16.0986      1.00000
     26     -15.8336      1.00000
     27     -15.8250      1.00000
     28     -15.8119      1.00000
     29     -15.1789      1.00000
     30     -14.5159      1.00000
     31     -14.5020      1.00000
     32     -14.2242      1.00000
     33     -13.9675      1.00000
     34     -13.9281      1.00000
     35     -13.7943      1.00000
     36     -13.7814      1.00000
     37     -13.5593      1.00000
     38     -13.5406      1.00000
     39     -13.3331      1.00000
     40     -12.6159      1.00000
     41     -12.1305      1.00000
     42     -12.1199      1.00000
     43     -12.0093      1.00000
     44     -11.9911      1.00000
     45     -11.6539      1.00000
     46     -11.6379      1.00000
     47     -11.1440      1.00000
     48     -11.1061      1.00000
     49     -10.7647      1.00000
     50     -10.7053      1.00000
     51     -10.4454      1.00000
     52     -10.1734      1.00000
     53     -10.1663      1.00000
     54     -10.1499      1.00000
     55     -10.0054      1.00000
     56      -9.9659      1.00000
     57      -9.9397      1.00000
     58      -9.8170      1.00000
     59      -9.7655      1.00000
     60      -9.7477      1.00000
     61      -9.7314      1.00000
     62      -9.4375      1.00000
     63      -9.3361      1.00000
     64      -9.0803      1.00000
     65      -9.0425      1.00000
     66      -8.9674      1.00000
     67      -8.9428      1.00000
     68      -8.8017      1.00000
     69      -8.6832      1.00000
     70      -8.6666      1.00000
     71      -8.5507      1.00000
     72      -8.5177      1.00000
     73      -8.4439      1.00000
     74      -8.4373      1.00000
     75      -8.3026      1.00000
     76      -8.2326      1.00000
     77      -8.1099      1.00000
     78      -8.0491      1.00000
     79      -8.0277      1.00000
     80      -7.7929      1.00000
     81      -7.6034      1.00000
     82      -7.5958      1.00000
     83      -7.4596      1.00000
     84      -7.0070      1.00000
     85      -6.9521      1.00000
     86      -6.8690      1.00000
     87      -6.5780      1.00000
     88      -6.5414      1.00000
     89      -6.4608      1.00000
     90      -6.4079      1.00000
     91      -6.3324      1.00000
     92      -5.9865      1.00000
     93      -5.7706      1.00000
     94      -5.7293      1.00000
     95      -5.5584      1.00000
     96      -5.3814      1.00000
     97      -5.2033      1.00000
     98      -5.2013      1.00000
     99      -5.1813      1.00000
    100      -5.1608      1.00000
    101      -4.6546      1.00000
    102      -4.5029      1.00000
    103      -4.4448      1.00000
    104      -4.3860      1.00000
    105      -3.5748      1.00000
    106      -3.4368      1.00000
    107      -2.7385      0.00000
    108      -2.4049      0.00000
    109      -1.1642      0.00000
    110      -1.1639      0.00000
    111      -1.1462      0.00000
    112      -1.0525      0.00000
    113      -0.4929      0.00000
    114      -0.4833      0.00000
    115      -0.3253      0.00000
    116      -0.2495      0.00000
    117       0.0008      0.00000
    118       0.0040      0.00000
    119       0.5216      0.00000
    120       0.6642      0.00000
    121       0.8058      0.00000
    122       1.0028      0.00000
    123       1.2338      0.00000
    124       1.4812      0.00000
    125       1.7477      0.00000
    126       1.9366      0.00000
    127       1.9451      0.00000
    128       2.0055      0.00000
    129       2.0598      0.00000
    130       2.1628      0.00000
    131       2.2837      0.00000
    132       2.2894      0.00000
    133       2.3282      0.00000
    134       2.5429      0.00000
    135       2.6353      0.00000
    136       2.6759      0.00000
    137       2.8409      0.00000
    138       2.8859      0.00000
    139       2.9504      0.00000
    140       2.9739      0.00000
    141       3.0987      0.00000
    142       3.1308      0.00000
    143       3.1340      0.00000
    144       3.1696      0.00000
    145       3.2332      0.00000
    146       3.2413      0.00000
    147       3.3246      0.00000
    148       3.3461      0.00000
    149       3.3629      0.00000
    150       3.3969      0.00000
    151       3.5017      0.00000
    152       3.6077      0.00000
    153       3.6461      0.00000
    154       3.6520      0.00000
    155       3.8298      0.00000
    156       3.8943      0.00000
    157       3.9567      0.00000
    158       3.9796      0.00000
    159       4.0984      0.00000
    160       4.1950      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2245      1.00000
      2     -22.0363      1.00000
      3     -21.6722      1.00000
      4     -21.6461      1.00000
      5     -20.9309      1.00000
      6     -20.9002      1.00000
      7     -20.5610      1.00000
      8     -20.5402      1.00000
      9     -20.5301      1.00000
     10     -19.9928      1.00000
     11     -19.4717      1.00000
     12     -19.4379      1.00000
     13     -19.2852      1.00000
     14     -19.2575      1.00000
     15     -18.4008      1.00000
     16     -18.3686      1.00000
     17     -17.9013      1.00000
     18     -17.8685      1.00000
     19     -17.7155      1.00000
     20     -17.6809      1.00000
     21     -17.4165      1.00000
     22     -17.3852      1.00000
     23     -17.2912      1.00000
     24     -16.4608      1.00000
     25     -16.4219      1.00000
     26     -15.9414      1.00000
     27     -15.3822      1.00000
     28     -15.3545      1.00000
     29     -15.0708      1.00000
     30     -15.0416      1.00000
     31     -14.8067      1.00000
     32     -14.7845      1.00000
     33     -14.2900      1.00000
     34     -14.2178      1.00000
     35     -13.4471      1.00000
     36     -13.3636      1.00000
     37     -13.1537      1.00000
     38     -13.1225      1.00000
     39     -12.9650      1.00000
     40     -12.9346      1.00000
     41     -12.5864      1.00000
     42     -12.5597      1.00000
     43     -12.1750      1.00000
     44     -11.5385      1.00000
     45     -11.5028      1.00000
     46     -11.2762      1.00000
     47     -11.2478      1.00000
     48     -11.1326      1.00000
     49     -10.7720      1.00000
     50     -10.6308      1.00000
     51     -10.4531      1.00000
     52     -10.2824      1.00000
     53     -10.2750      1.00000
     54     -10.1690      1.00000
     55     -10.0930      1.00000
     56     -10.0597      1.00000
     57      -9.8084      1.00000
     58      -9.7072      1.00000
     59      -9.6914      1.00000
     60      -9.6841      1.00000
     61      -9.6735      1.00000
     62      -9.6072      1.00000
     63      -9.3458      1.00000
     64      -9.3187      1.00000
     65      -9.2928      1.00000
     66      -8.9696      1.00000
     67      -8.9281      1.00000
     68      -8.8801      1.00000
     69      -8.7492      1.00000
     70      -8.5644      1.00000
     71      -8.4847      1.00000
     72      -8.4007      1.00000
     73      -8.3617      1.00000
     74      -8.2857      1.00000
     75      -8.2392      1.00000
     76      -8.2233      1.00000
     77      -8.2093      1.00000
     78      -8.1958      1.00000
     79      -7.9949      1.00000
     80      -7.7804      1.00000
     81      -7.4174      1.00000
     82      -7.3239      1.00000
     83      -7.2445      1.00000
     84      -7.1452      1.00000
     85      -7.0991      1.00000
     86      -6.9603      1.00000
     87      -6.9126      1.00000
     88      -6.5850      1.00000
     89      -6.5612      1.00000
     90      -6.4350      1.00000
     91      -6.2467      1.00000
     92      -5.9027      1.00000
     93      -5.8241      1.00000
     94      -5.6772      1.00000
     95      -5.5874      1.00000
     96      -5.2928      1.00000
     97      -5.2595      1.00000
     98      -5.1872      1.00000
     99      -5.1857      1.00000
    100      -5.1638      1.00000
    101      -4.5245      1.00000
    102      -4.4577      1.00000
    103      -4.3986      1.00000
    104      -4.0817      1.00000
    105      -3.9349      1.00000
    106      -3.5199      1.00000
    107      -2.8201      0.00000
    108      -1.8016      0.00000
    109      -1.7908      0.00000
    110      -1.0843      0.00000
    111      -1.0113      0.00000
    112      -0.9276      0.00000
    113      -0.6564      0.00000
    114      -0.6110      0.00000
    115      -0.5746      0.00000
    116      -0.5299      0.00000
    117       0.1550      0.00000
    118       0.2591      0.00000
    119       0.6974      0.00000
    120       0.9726      0.00000
    121       1.0909      0.00000
    122       1.2557      0.00000
    123       1.4108      0.00000
    124       1.5283      0.00000
    125       1.5913      0.00000
    126       1.6089      0.00000
    127       1.6480      0.00000
    128       1.8210      0.00000
    129       1.9186      0.00000
    130       2.1022      0.00000
    131       2.1626      0.00000
    132       2.3202      0.00000
    133       2.3656      0.00000
    134       2.4577      0.00000
    135       2.5886      0.00000
    136       2.6556      0.00000
    137       2.7055      0.00000
    138       2.7146      0.00000
    139       2.8378      0.00000
    140       2.9285      0.00000
    141       3.0451      0.00000
    142       3.0652      0.00000
    143       3.1745      0.00000
    144       3.2730      0.00000
    145       3.3199      0.00000
    146       3.3222      0.00000
    147       3.4486      0.00000
    148       3.5143      0.00000
    149       3.5570      0.00000
    150       3.5964      0.00000
    151       3.6078      0.00000
    152       3.6774      0.00000
    153       3.7154      0.00000
    154       3.7385      0.00000
    155       3.7402      0.00000
    156       3.8241      0.00000
    157       3.9061      0.00000
    158       3.9744      0.00000
    159       4.0048      0.00000
    160       4.2417      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0445   -6.8625    2.8588   -0.4771   -0.0182   17.1568    0.0938   -0.0730    0.1197   -0.2127
x    -3.1506   -0.0332   -0.0583    0.0255    0.0329   -3.0252    0.0212   -0.0020   -0.0001    0.0000
x    -0.0936   -0.0009    0.0019   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
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   204.0445    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0010    0.0005    0.0035   -0.0976   -0.0405    0.0685    0.0119
y     0.0415   -3.2489   -0.0998    0.2004   -2.4462   -0.6656
z   204.0445    1.9917    0.0143   -0.0661    0.0189    0.0770   -0.0027   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0616    0.0081    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8252
z    -0.5080    0.0404    0.0740    0.1435   -0.0970   -0.0018
 total charge-density along one line
x   212.0000   -9.6894    4.7936   -1.2801   -0.2536   19.0984   -1.1298    1.0538   -0.6841    0.2215
x    -2.7495   -0.0174   -0.0408    0.0179    0.0339   -2.3080    0.0203    0.0017   -0.0030   -0.0008
x    -0.0825    0.0014   -0.0022    0.0005    0.0009   -0.0370    0.0003    0.0004   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0000    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   -9.6894    4.7936   -1.2801   -0.2536   19.0984   -1.1298    1.0538   -0.6841    0.2215
y    -2.7495   -0.0174   -0.0408    0.0179    0.0339   -2.3080    0.0203    0.0017   -0.0030   -0.0008
y    -0.0825    0.0014   -0.0022    0.0005    0.0009   -0.0370    0.0003    0.0004   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0000    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 -205.6768  189.4267 -169.4349  151.1881 -136.5264  123.8135 -110.3417   94.7378  -77.7696
z    61.4972  -47.8019   37.4023  -29.8163   23.9980  -19.0581   14.6214  -10.7467    7.6244   -5.3221
z     3.7181   -2.5892    1.7367   -1.0533    0.5115   -0.1144   -0.1447    0.2912   -0.3582    0.3748
z    -0.3623    0.3371   -0.3112    0.2904   -0.2727    0.2508   -0.2192    0.1789   -0.1371    0.1025
z    -0.0797    0.0672   -0.0596    0.0519   -0.0422    0.0320   -0.0237    0.0185   -0.0158    0.0142
z    -0.0126    0.0108   -0.0088    0.0069   -0.0052    0.0039   -0.0029    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.203   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.302   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.421   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.299   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.203   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.302   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.421   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.299   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.278   0.000  -0.305   0.000  -0.195   0.084  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.046   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.267   0.000   0.297   0.000   0.157  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.113   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.196   0.000   0.182   0.000   0.062  -0.068   0.037   0.000  -0.053   0.000   0.000
  0.278   0.000  -0.267   0.000  -0.196   0.219   0.000  -0.122   0.000  -0.109   0.321  -0.102   0.000   0.025   0.000   0.000
  0.000   0.046   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.297   0.000   0.182  -0.122   0.000   0.428   0.000   0.068   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.113   0.000   0.000  -0.049   0.000   0.170   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.195   0.000   0.157   0.000   0.062  -0.109   0.000   0.068   0.000   0.089  -0.178   0.060   0.000  -0.012   0.000   0.000
  0.084   0.000  -0.280   0.000  -0.068   0.321   0.000   0.148   0.000  -0.178   1.140  -0.353   0.000  -0.139   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.102   0.000  -0.138   0.000   0.060  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.333   0.000   0.174  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.139   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.174   0.000   0.131  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.008   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.783
  2        0.542   0.016   0.000   0.557
  3        0.542   0.016   0.000   0.557
  4        0.864   1.780   0.000   2.643
  5        0.863   1.782   0.000   2.645
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.782   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.784   0.000   2.649
 15        0.865   1.785   0.000   2.649
 16        0.865   1.776   0.000   2.640
 17        0.849   1.733   0.000   2.582
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.768   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.863   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.783   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.768   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.784   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.733   0.000   2.582
 42        0.865   1.776   0.000   2.640
 43        0.865   1.785   0.000   2.649
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.782   0.000   2.645
 49        0.864   1.780   0.000   2.643
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.863   1.782   0.000   2.645
------------------------------------------------
tot       44.792  89.408   7.854 142.054
 


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


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


    CHARGE:  VPU time  113.24: CPU time   57.10
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  439.64: CPU time  220.25
    STRESS:  VPU time 1320.40: CPU time  663.48
    FORCOR:  VPU time    8.68: CPU time    8.68
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.23: CPU time    0.23


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648141 eV

  energy  without entropy=     -469.648141  energy(sigma->0) =     -469.648141
 

  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    40940.15  40982.91 -47644.73     37.03      0.00      0.00
  Hartree  40397.16  40421.51 -39645.43     21.09      0.00      0.00
  E(xc)     -779.25   -778.91   -806.99      0.30      0.00      0.00
  Local   -83627.88 -83692.97  84602.82    -56.37      0.00      0.00
  n-local   -214.80   -206.82   -206.60      6.02      0.00      0.00
  augment     21.82     19.28     20.59     -2.19      0.00      0.00
  Kinetic   3165.69   3163.49   3585.97     -8.33      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.02     -0.74     -0.43     -0.63      0.00      0.00
  in kB       -0.01     -0.45     -0.26     -0.38      0.00      0.00
  external pressure =       -0.24 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.340206921  0.001324444  0.000000000     0.081030898  0.046771685  0.000000000
    -6.168963097 10.687590735  0.000000000    -0.000010042  0.093560661  0.000000000
     0.000000000  0.000000000 20.001188680     0.000000000  0.000000000  0.049997028

  length of vectors
    12.340206992 12.340206700 20.001188680     0.093560659  0.093560662  0.049997028


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.739E-05 -.318E-04 -.110E+04   0.446E-05 -.262E-04 0.110E+04   0.169E-20 0.169E-20 0.368E+01   -.328E-08 -.148E-07 0.590E-02
   -.267E+02 -.463E+02 -.108E+03   0.278E+02 0.482E+02 0.108E+03   -.111E+01 -.192E+01 -.198E+00   0.273E-03 0.471E-03 0.496E-03
   0.267E+02 0.463E+02 -.108E+03   -.278E+02 -.482E+02 0.108E+03   0.111E+01 0.192E+01 -.198E+00   -.273E-03 -.471E-03 0.496E-03
   -.193E+01 0.111E+01 0.308E+02   0.186E+01 -.107E+01 -.308E+02   0.413E-01 -.238E-01 0.471E-02   0.129E-02 -.747E-03 -.161E-02
   0.678E+01 0.644E+01 0.343E+02   -.676E+01 -.642E+01 -.343E+02   -.414E-01 -.668E-02 -.415E-01   -.101E-02 0.202E-02 -.189E-02
   0.119E+02 0.577E+01 0.251E+02   -.118E+02 -.578E+01 -.250E+02   -.569E-01 0.272E-01 -.116E+00   -.269E-02 0.211E-02 -.174E-02
   0.441E+01 -.116E+01 0.210E+02   -.442E+01 0.117E+01 -.210E+02   -.406E-02 -.465E-02 0.193E-01   -.126E-02 0.833E-03 -.165E-02
   -.272E+01 -.267E+01 0.220E+02   0.271E+01 0.266E+01 -.220E+02   -.966E-02 0.202E-01 0.184E-01   0.205E-02 -.191E-02 -.146E-02
   0.954E+00 0.369E+01 0.220E+02   -.954E+00 -.368E+01 -.220E+02   -.223E-01 -.172E-02 0.184E-01   0.268E-02 -.827E-03 -.146E-02
   0.304E+01 0.187E+02 0.368E+02   -.309E+01 -.187E+02 -.368E+02   0.236E-01 -.277E-01 -.243E-01   0.148E-02 -.265E-03 -.218E-02
   0.205E+02 0.222E+02 0.461E+02   -.206E+02 -.223E+02 -.458E+02   -.769E-04 0.122E+00 -.327E+00   -.592E-03 0.130E-02 -.253E-02
   0.276E+02 -.592E+01 0.228E+02   -.277E+02 0.599E+01 -.228E+02   0.816E-01 -.515E-01 0.102E-02   -.338E-02 0.253E-02 -.288E-02
   0.991E+01 -.572E+01 0.158E+02   -.987E+01 0.570E+01 -.158E+02   -.665E-01 0.384E-01 0.506E-01   -.753E-03 0.431E-03 -.170E-02
   0.321E+01 -.324E+01 0.210E+02   -.322E+01 0.325E+01 -.210E+02   0.200E-02 0.584E-02 0.193E-01   -.135E-02 0.669E-03 -.166E-02
   -.681E+01 0.127E+02 0.240E+02   0.677E+01 -.127E+02 -.240E+02   0.159E-01 0.175E-02 0.178E-01   0.264E-02 -.153E-03 -.200E-02
   -.133E+02 0.310E+02 0.323E+02   0.132E+02 -.315E+02 -.326E+02   0.998E-01 0.428E+00 0.287E+00   0.116E-02 -.468E-03 -.337E-02
   0.343E+02 -.198E+02 0.942E+01   -.355E+02 0.205E+02 -.117E+02   0.113E+01 -.651E+00 0.232E+01   -.121E-02 0.697E-03 -.541E-02
   0.189E+02 -.209E+02 0.228E+02   -.190E+02 0.210E+02 -.228E+02   0.854E-01 -.449E-01 0.102E-02   -.388E-02 0.165E-02 -.289E-02
   0.935E+00 -.132E+02 0.251E+02   -.905E+00 0.131E+02 -.250E+02   -.520E-01 0.357E-01 -.116E+00   -.317E-02 0.127E-02 -.174E-02
   -.391E+01 0.885E+00 0.173E+02   0.390E+01 -.891E+00 -.172E+02   -.114E-01 0.254E-01 -.866E-01   -.231E-02 0.766E-03 -.160E-02
   -.180E+02 0.104E+02 0.128E+02   0.180E+02 -.104E+02 -.126E+02   -.516E-02 0.298E-02 -.248E+00   0.117E-02 -.674E-03 -.250E-02
   -.335E+02 -.401E+01 0.323E+02   0.338E+02 0.434E+01 -.326E+02   -.321E+00 -.301E+00 0.287E+00   0.989E-03 -.775E-03 -.337E-02
   -.893E+01 -.289E+02 0.461E+02   0.901E+01 0.289E+02 -.458E+02   -.106E+00 -.611E-01 -.327E+00   -.142E-02 -.139E-03 -.253E-02
   -.219E+01 -.909E+01 0.343E+02   0.218E+01 0.907E+01 -.343E+02   -.149E-01 0.392E-01 -.415E-01   -.225E-02 -.141E-03 -.189E-02
   0.132E+01 -.760E+00 0.239E+02   -.131E+01 0.756E+00 -.238E+02   -.194E-01 0.112E-01 -.592E-01   -.350E-02 0.202E-02 -.155E-02
   -.272E+01 0.294E+01 0.173E+02   0.272E+01 -.293E+01 -.172E+02   -.277E-01 -.280E-02 -.866E-01   -.182E-02 0.162E-02 -.160E-02
   -.144E+02 -.475E+00 0.240E+02   0.144E+02 0.505E+00 -.240E+02   0.643E-02 -.146E-01 0.178E-01   0.145E-02 -.221E-02 -.199E-02
   -.147E+02 -.120E+02 0.368E+02   0.146E+02 0.120E+02 -.368E+02   0.358E-01 -.658E-02 -.243E-01   0.972E-03 -.116E-02 -.218E-02
   0.219E+01 0.909E+01 0.343E+02   -.218E+01 -.907E+01 -.343E+02   0.149E-01 -.392E-01 -.415E-01   0.225E-02 0.141E-03 -.189E-02
   0.147E+02 0.120E+02 0.368E+02   -.146E+02 -.120E+02 -.368E+02   -.358E-01 0.658E-02 -.243E-01   -.972E-03 0.116E-02 -.218E-02
   0.144E+02 0.475E+00 0.240E+02   -.144E+02 -.505E+00 -.240E+02   -.643E-02 0.146E-01 0.178E-01   -.145E-02 0.221E-02 -.199E-02
   0.272E+01 -.294E+01 0.173E+02   -.272E+01 0.293E+01 -.172E+02   0.277E-01 0.280E-02 -.866E-01   0.182E-02 -.162E-02 -.160E-02
   -.132E+01 0.761E+00 0.239E+02   0.131E+01 -.756E+00 -.238E+02   0.194E-01 -.112E-01 -.592E-01   0.350E-02 -.202E-02 -.155E-02
   -.935E+00 0.132E+02 0.251E+02   0.905E+00 -.131E+02 -.250E+02   0.520E-01 -.357E-01 -.116E+00   0.317E-02 -.127E-02 -.174E-02
   0.893E+01 0.289E+02 0.461E+02   -.901E+01 -.289E+02 -.458E+02   0.106E+00 0.611E-01 -.327E+00   0.142E-02 0.139E-03 -.253E-02
   0.335E+02 0.401E+01 0.323E+02   -.338E+02 -.434E+01 -.326E+02   0.321E+00 0.301E+00 0.287E+00   -.989E-03 0.775E-03 -.337E-02
   0.180E+02 -.104E+02 0.128E+02   -.180E+02 0.104E+02 -.126E+02   0.516E-02 -.298E-02 -.248E+00   -.117E-02 0.674E-03 -.250E-02
   0.391E+01 -.885E+00 0.173E+02   -.390E+01 0.891E+00 -.172E+02   0.114E-01 -.254E-01 -.866E-01   0.231E-02 -.766E-03 -.160E-02
   -.321E+01 0.324E+01 0.210E+02   0.322E+01 -.325E+01 -.210E+02   -.200E-02 -.584E-02 0.193E-01   0.135E-02 -.669E-03 -.166E-02
   -.189E+02 0.209E+02 0.228E+02   0.190E+02 -.210E+02 -.228E+02   -.854E-01 0.449E-01 0.102E-02   0.388E-02 -.165E-02 -.289E-02
   -.343E+02 0.198E+02 0.942E+01   0.355E+02 -.205E+02 -.117E+02   -.113E+01 0.651E+00 0.232E+01   0.121E-02 -.697E-03 -.541E-02
   0.133E+02 -.310E+02 0.323E+02   -.132E+02 0.315E+02 -.326E+02   -.998E-01 -.428E+00 0.287E+00   -.116E-02 0.468E-03 -.337E-02
   0.681E+01 -.127E+02 0.240E+02   -.677E+01 0.127E+02 -.240E+02   -.159E-01 -.175E-02 0.178E-01   -.264E-02 0.153E-03 -.200E-02
   -.954E+00 -.369E+01 0.220E+02   0.954E+00 0.368E+01 -.220E+02   0.223E-01 0.172E-02 0.184E-01   -.268E-02 0.827E-03 -.146E-02
   -.991E+01 0.572E+01 0.158E+02   0.987E+01 -.570E+01 -.158E+02   0.665E-01 -.384E-01 0.506E-01   0.753E-03 -.431E-03 -.170E-02
   -.276E+02 0.592E+01 0.228E+02   0.277E+02 -.599E+01 -.228E+02   -.816E-01 0.515E-01 0.102E-02   0.338E-02 -.253E-02 -.288E-02
   -.205E+02 -.222E+02 0.461E+02   0.206E+02 0.223E+02 -.458E+02   0.769E-04 -.122E+00 -.327E+00   0.592E-03 -.130E-02 -.253E-02
   -.304E+01 -.187E+02 0.368E+02   0.309E+01 0.187E+02 -.368E+02   -.236E-01 0.277E-01 -.243E-01   -.148E-02 0.265E-03 -.218E-02
   0.193E+01 -.111E+01 0.308E+02   -.186E+01 0.107E+01 -.308E+02   -.413E-01 0.238E-01 0.471E-02   -.129E-02 0.747E-03 -.161E-02
   0.272E+01 0.267E+01 0.220E+02   -.271E+01 -.266E+01 -.220E+02   0.966E-02 -.202E-01 0.184E-01   -.205E-02 0.191E-02 -.146E-02
   -.441E+01 0.116E+01 0.210E+02   0.442E+01 -.117E+01 -.210E+02   0.406E-02 0.465E-02 0.193E-01   0.126E-02 -.833E-03 -.165E-02
   -.119E+02 -.577E+01 0.251E+02   0.118E+02 0.578E+01 -.250E+02   0.569E-01 -.272E-01 -.116E+00   0.269E-02 -.211E-02 -.174E-02
   -.678E+01 -.644E+01 0.343E+02   0.676E+01 0.642E+01 -.343E+02   0.414E-01 0.668E-02 -.415E-01   0.101E-02 -.202E-02 -.189E-02
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.326E-03 -.629E+01   -.240E-13 0.462E-13 0.924E-13   -.173E-15 0.369E-15 0.642E+01   -.184E-07 -.992E-08 -.104E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85168      6.05688     12.41262         0.000000      0.000000      0.001336
      2.67940      7.49053     12.52594        -0.003997     -0.006923     -0.016303
      1.02396      4.62323     12.52594         0.003997      0.006923     -0.016303
     12.34003      0.00143      9.88040        -0.026137      0.015090     -0.000687
     -1.23243      2.13828      9.88569        -0.027926      0.019956      0.000928
     -2.46781      4.27582      9.93428        -0.013483      0.021624      0.000601
      8.63838      6.41375      9.94357        -0.015231      0.006245      0.001551
     -4.93340      8.54955      9.92018        -0.018535      0.011273     -0.003512
     -3.69958     10.68659      9.92018        -0.019030      0.010415     -0.003512
      1.23575      2.14093      9.92600        -0.025737     -0.006852     -0.002465
     -0.00269      4.27889     10.00866        -0.011840      0.024297      0.004411
     -1.23676      6.41054     10.03645        -0.026872      0.020604     -0.004902
     -2.46399      8.54853      9.96861        -0.028771      0.016611      0.000878
      4.93597      0.00098      9.94357        -0.013024      0.010068      0.001551
      3.70247      2.13470      9.96259        -0.022227      0.011278     -0.001358
      2.47269      4.25500     10.12922        -0.025565     -0.011216      0.016627
      1.21567      6.42408     10.35732        -0.033654      0.019430      0.000819
      0.00117      8.55470     10.03645        -0.031280      0.012970     -0.004902
      1.23437     10.68819      9.93428        -0.025468      0.000865      0.000601
      6.17018      2.13741      9.94466        -0.021051      0.020354     -0.005418
      4.93941      4.27417     10.02908        -0.031337      0.018092     -0.001197
      3.72265      6.42001     10.12922        -0.003069      0.027748      0.016627
      2.46427      8.55180     10.00866        -0.026962     -0.001895      0.004411
      3.70322     10.68709      9.88569        -0.031245      0.014207      0.000928
      8.63793      2.13884      9.90273        -0.015583      0.008997      0.002897
      7.40529      4.27668      9.94466        -0.028152      0.008054     -0.005418
      6.17378      6.41513      9.96259        -0.020881      0.013610     -0.001358
      4.93502      8.54826      9.92600        -0.006934      0.025715     -0.002465
      0.00014      1.42666      9.88569         0.031245     -0.014207      0.000928
     -1.23167      3.56549      9.92600         0.006934     -0.025715     -0.002465
     -2.47042      5.69862      9.96259         0.020881     -0.013610     -0.001358
     -3.70194      7.83707      9.94466         0.028152     -0.008054     -0.005418
     -4.93457      9.97492      9.90273         0.015583     -0.008997      0.002897
      2.46898      1.42556      9.93428         0.025468     -0.000865      0.000601
      1.23908      3.56195     10.00866         0.026962      0.001895      0.004411
     -0.01930      5.69375     10.12922         0.003069     -0.027748      0.016627
     -1.23605      7.83958     10.02908         0.031337     -0.018092     -0.001197
     -2.46683      9.97635      9.94466         0.021051     -0.020354     -0.005418
      4.93635      1.42518      9.94357         0.013024     -0.010068      0.001551
      3.70218      3.55905     10.03645         0.031280     -0.012970     -0.004902
      2.48769      5.68968     10.35732         0.033654     -0.019430      0.000819
      1.23067      7.85875     10.12922         0.025565      0.011216      0.016627
      0.00088      9.97905      9.96259         0.022227     -0.011278     -0.001358
      7.40294      1.42716      9.92018         0.019030     -0.010415     -0.003512
      6.16735      3.56522      9.96861         0.028771     -0.016611      0.000878
      4.94011      5.70321     10.03645         0.026872     -0.020604     -0.004902
      3.70605      7.83486     10.00866         0.011840     -0.024297      0.004411
      2.46760      9.97282      9.92600         0.025737      0.006852     -0.002465
      9.87250      1.42606      9.88040         0.026137     -0.015090     -0.000687
      8.63676      3.56420      9.92018         0.018535     -0.011273     -0.003512
      7.40518      5.70133      9.94357         0.015231     -0.006245      0.001551
      6.17117      7.83793      9.93428         0.013483     -0.021624      0.000601
      4.93579      9.97547      9.88569         0.027926     -0.019956      0.000928
 -----------------------------------------------------------------------------------
    total drift:                               -0.001821      0.000326      0.019469


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




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


    WAVPRE:  VPU time    1.97: CPU time    1.96
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  182.84: CPU time   91.51
     LOOP+:  VPU time14568.27: CPU time 7528.69


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


    POTLOK:  VPU time    9.11: CPU time    8.93
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1824.98: CPU time  940.08
 BZINTS: Fermi energy: -3.244932;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.71: CPU time   56.38
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1946.36: CPU time 1005.93

 eigenvalue-minimisations  :  6064
 total energy-change (2. order) :-0.4696453E+03  (-0.3805080E-01)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9556785 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.21216E-01    rms(broyden)= 0.21205E-01
  rms(prec ) = 0.22712E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.47383193
  -1/2 Hartree   DENC   =    -41170.24345936
  -V(xc)+E(xc)   XCENC  =       726.33853097
  PAW double counting   =      4068.00188910    -4106.65498708
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2468.00098349
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64532433 eV

  energy without entropy =     -469.64532433  energy(sigma->0) =     -469.64532433


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




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


    POTLOK:  VPU time    9.06: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1956.69: CPU time 1009.71
 BZINTS: Fermi energy: -3.249058;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.16: CPU time   57.12
    MIXING:  VPU time    0.18: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 2079.49: CPU time 1076.43

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) : 0.1615007E-03  (-0.1116665E-02)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9550687 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.14939E-01    rms(broyden)= 0.14938E-01
  rms(prec ) = 0.15885E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3263
  2.3263

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.47383193
  -1/2 Hartree   DENC   =    -41170.24069623
  -V(xc)+E(xc)   XCENC  =       726.33777835
  PAW double counting   =      4068.01449331    -4106.66659208
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2468.00383171
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64516282 eV

  energy without entropy =     -469.64516282  energy(sigma->0) =     -469.64516282


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




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


    POTLOK:  VPU time    9.05: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1837.44: CPU time  948.36
 BZINTS: Fermi energy: -3.250877;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.44: CPU time   56.81
    MIXING:  VPU time    0.19: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 1959.54: CPU time 1014.78

 eigenvalue-minimisations  :  6184
 total energy-change (2. order) : 0.6525617E-03  (-0.2336068E-03)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9554337 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.22473E-02    rms(broyden)= 0.22459E-02
  rms(prec ) = 0.24867E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5649
  2.0190  1.1107

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.47383193
  -1/2 Hartree   DENC   =    -41170.23238510
  -V(xc)+E(xc)   XCENC  =       726.33554366
  PAW double counting   =      4067.89591208    -4106.54804126
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2468.00922518
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64451026 eV

  energy without entropy =     -469.64451026  energy(sigma->0) =     -469.64451026


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




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


    POTLOK:  VPU time    9.05: CPU time    9.05
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1650.22: CPU time  852.41
 BZINTS: Fermi energy: -3.252910;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1659.67: CPU time  861.83

 eigenvalue-minimisations  :  5328
 total energy-change (2. order) :-0.1424279E-04  (-0.3612811E-04)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9554337 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.47383193
  -1/2 Hartree   DENC   =    -41170.26280194
  -V(xc)+E(xc)   XCENC  =       726.33616126
  PAW double counting   =      4067.96488213    -4106.61731690
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.97913459
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64452451 eV

  energy without entropy =     -469.64452451  energy(sigma->0) =     -469.64452451


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




 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 -59.0073       2 -37.4855       3 -37.4855       4 -58.3183       5 -58.2937
       6 -58.3054       7 -58.3042       8 -58.3125       9 -58.3125      10 -58.2871
      11 -58.3248      12 -58.2817      13 -58.3236      14 -58.3042      15 -58.3014
      16 -58.3984      17 -58.9705      18 -58.2817      19 -58.3054      20 -58.3077
      21 -58.2958      22 -58.3984      23 -58.3248      24 -58.2937      25 -58.3291
      26 -58.3077      27 -58.3014      28 -58.2871      29 -58.2936      30 -58.2870
      31 -58.3013      32 -58.3076      33 -58.3290      34 -58.3053      35 -58.3247
      36 -58.3984      37 -58.2957      38 -58.3076      39 -58.3040      40 -58.2816
      41 -58.9704      42 -58.3984      43 -58.3013      44 -58.3124      45 -58.3235
      46 -58.2816      47 -58.3247      48 -58.2870      49 -58.3182      50 -58.3124
      51 -58.3041      52 -58.3053      53 -58.2936
 
 
 
 E-fermi :  -3.2529     XC(G=0):  -2.3680     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     -22.3727      1.00000
      2     -21.5035      1.00000
      3     -21.4327      1.00000
      4     -21.4301      1.00000
      5     -21.4184      1.00000
      6     -21.4084      1.00000
      7     -21.4050      1.00000
      8     -19.6631      1.00000
      9     -19.5997      1.00000
     10     -19.5938      1.00000
     11     -19.5792      1.00000
     12     -19.5679      1.00000
     13     -19.5667      1.00000
     14     -18.7623      1.00000
     15     -18.7075      1.00000
     16     -18.6955      1.00000
     17     -18.6826      1.00000
     18     -18.6742      1.00000
     19     -18.6728      1.00000
     20     -16.6229      1.00000
     21     -16.5592      1.00000
     22     -16.5543      1.00000
     23     -16.5274      1.00000
     24     -16.5261      1.00000
     25     -16.5208      1.00000
     26     -15.5886      1.00000
     27     -15.5732      1.00000
     28     -15.5363      1.00000
     29     -15.5287      1.00000
     30     -15.5262      1.00000
     31     -15.5033      1.00000
     32     -14.2546      1.00000
     33     -14.2233      1.00000
     34     -14.1971      1.00000
     35     -14.1921      1.00000
     36     -14.1786      1.00000
     37     -14.1699      1.00000
     38     -11.9747      1.00000
     39     -11.8712      1.00000
     40     -11.8285      1.00000
     41     -11.8208      1.00000
     42     -11.8110      1.00000
     43     -11.8016      1.00000
     44     -11.7265      1.00000
     45     -11.7259      1.00000
     46     -11.7050      1.00000
     47     -11.6946      1.00000
     48     -11.6939      1.00000
     49     -11.6810      1.00000
     50     -10.6388      1.00000
     51     -10.3690      1.00000
     52     -10.3679      1.00000
     53     -10.3396      1.00000
     54     -10.3314      1.00000
     55     -10.3168      1.00000
     56     -10.2977      1.00000
     57      -9.7868      1.00000
     58      -9.4138      1.00000
     59      -9.3909      1.00000
     60      -9.3524      1.00000
     61      -9.3419      1.00000
     62      -9.3345      1.00000
     63      -9.1696      1.00000
     64      -9.0834      1.00000
     65      -9.0793      1.00000
     66      -9.0646      1.00000
     67      -9.0543      1.00000
     68      -9.0362      1.00000
     69      -9.0307      1.00000
     70      -9.0246      1.00000
     71      -9.0151      1.00000
     72      -9.0049      1.00000
     73      -8.9891      1.00000
     74      -8.9816      1.00000
     75      -7.9892      1.00000
     76      -7.7001      1.00000
     77      -7.5111      1.00000
     78      -7.4883      1.00000
     79      -7.4730      1.00000
     80      -7.4054      1.00000
     81      -7.3920      1.00000
     82      -7.3815      1.00000
     83      -7.3390      1.00000
     84      -7.2248      1.00000
     85      -7.1859      1.00000
     86      -7.1750      1.00000
     87      -7.1743      1.00000
     88      -6.6226      1.00000
     89      -6.5738      1.00000
     90      -6.3615      1.00000
     91      -6.3547      1.00000
     92      -6.3154      1.00000
     93      -6.3024      1.00000
     94      -5.9196      1.00000
     95      -5.9171      1.00000
     96      -5.3667      1.00000
     97      -5.1918      1.00000
     98      -4.8328      1.00000
     99      -4.7172      1.00000
    100      -4.3615      1.00000
    101      -4.3577      1.00000
    102      -4.3511      1.00000
    103      -4.3232      1.00000
    104      -4.1684      1.00000
    105      -3.9449      1.00000
    106      -3.5928      1.00000
    107      -2.9187      0.00000
    108      -1.5623      0.00000
    109      -1.5539      0.00000
    110      -1.5451      0.00000
    111      -1.5344      0.00000
    112      -1.4711      0.00000
    113      -1.4605      0.00000
    114       0.0678      0.00000
    115       0.2432      0.00000
    116       0.2930      0.00000
    117       0.3005      0.00000
    118       0.3006      0.00000
    119       0.3657      0.00000
    120       0.6067      0.00000
    121       1.2643      0.00000
    122       1.3510      0.00000
    123       1.6878      0.00000
    124       1.7520      0.00000
    125       1.7733      0.00000
    126       1.7788      0.00000
    127       1.8477      0.00000
    128       1.8682      0.00000
    129       1.9971      0.00000
    130       2.0013      0.00000
    131       2.0092      0.00000
    132       2.0246      0.00000
    133       2.0253      0.00000
    134       2.0818      0.00000
    135       2.3020      0.00000
    136       2.4604      0.00000
    137       2.5712      0.00000
    138       2.5729      0.00000
    139       2.6049      0.00000
    140       2.7332      0.00000
    141       2.8182      0.00000
    142       3.0127      0.00000
    143       3.0204      0.00000
    144       3.0307      0.00000
    145       3.0364      0.00000
    146       3.0762      0.00000
    147       3.0995      0.00000
    148       3.4397      0.00000
    149       3.5392      0.00000
    150       3.5732      0.00000
    151       3.8889      0.00000
    152       3.8939      0.00000
    153       3.9307      0.00000
    154       3.9518      0.00000
    155       3.9762      0.00000
    156       4.0426      0.00000
    157       4.1563      0.00000
    158       4.1984      0.00000
    159       4.2379      0.00000
    160       4.2485      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3352      1.00000
      2     -21.7725      1.00000
      3     -21.5978      1.00000
      4     -21.5683      1.00000
      5     -21.2227      1.00000
      6     -21.1953      1.00000
      7     -21.0208      1.00000
      8     -20.1194      1.00000
      9     -20.0881      1.00000
     10     -19.5728      1.00000
     11     -19.5471      1.00000
     12     -19.3775      1.00000
     13     -19.0490      1.00000
     14     -19.0208      1.00000
     15     -19.0066      1.00000
     16     -18.9959      1.00000
     17     -18.3287      1.00000
     18     -18.3064      1.00000
     19     -17.9795      1.00000
     20     -17.0321      1.00000
     21     -16.9813      1.00000
     22     -16.9135      1.00000
     23     -16.9085      1.00000
     24     -16.4390      1.00000
     25     -16.4234      1.00000
     26     -15.5752      1.00000
     27     -15.5674      1.00000
     28     -15.2273      1.00000
     29     -15.1931      1.00000
     30     -15.1367      1.00000
     31     -15.0622      1.00000
     32     -15.0390      1.00000
     33     -14.6674      1.00000
     34     -14.6510      1.00000
     35     -13.7041      1.00000
     36     -13.6791      1.00000
     37     -13.2059      1.00000
     38     -12.5956      1.00000
     39     -12.5554      1.00000
     40     -12.4210      1.00000
     41     -12.4088      1.00000
     42     -12.1037      1.00000
     43     -12.0615      1.00000
     44     -11.6944      1.00000
     45     -11.6445      1.00000
     46     -11.2239      1.00000
     47     -11.2099      1.00000
     48     -11.0065      1.00000
     49     -10.9749      1.00000
     50     -10.8987      1.00000
     51     -10.8708      1.00000
     52     -10.5284      1.00000
     53     -10.1366      1.00000
     54     -10.1286      1.00000
     55     -10.0861      1.00000
     56      -9.9187      1.00000
     57      -9.6992      1.00000
     58      -9.6814      1.00000
     59      -9.6056      1.00000
     60      -9.5861      1.00000
     61      -9.5347      1.00000
     62      -9.4845      1.00000
     63      -9.3005      1.00000
     64      -9.2754      1.00000
     65      -9.2287      1.00000
     66      -9.1745      1.00000
     67      -9.1134      1.00000
     68      -9.0794      1.00000
     69      -9.0653      1.00000
     70      -8.9041      1.00000
     71      -8.8426      1.00000
     72      -8.5976      1.00000
     73      -8.5608      1.00000
     74      -8.1268      1.00000
     75      -8.0464      1.00000
     76      -7.9548      1.00000
     77      -7.8286      1.00000
     78      -7.7904      1.00000
     79      -7.7389      1.00000
     80      -7.6860      1.00000
     81      -7.3550      1.00000
     82      -7.3380      1.00000
     83      -7.3294      1.00000
     84      -7.2762      1.00000
     85      -7.0636      1.00000
     86      -6.9750      1.00000
     87      -6.8272      1.00000
     88      -6.7535      1.00000
     89      -6.6424      1.00000
     90      -6.5632      1.00000
     91      -6.1474      1.00000
     92      -6.1230      1.00000
     93      -6.0783      1.00000
     94      -5.9583      1.00000
     95      -5.7304      1.00000
     96      -5.4035      1.00000
     97      -5.2063      1.00000
     98      -4.9339      1.00000
     99      -4.7951      1.00000
    100      -4.6400      1.00000
    101      -4.5372      1.00000
    102      -4.4828      1.00000
    103      -4.3659      1.00000
    104      -4.0448      1.00000
    105      -3.8255      1.00000
    106      -3.5700      1.00000
    107      -2.9421      0.00000
    108      -1.7190      0.00000
    109      -1.6642      0.00000
    110      -1.3033      0.00000
    111      -1.2621      0.00000
    112      -1.2512      0.00000
    113      -1.2223      0.00000
    114      -0.5708      0.00000
    115      -0.1838      0.00000
    116      -0.1729      0.00000
    117       0.6247      0.00000
    118       0.6717      0.00000
    119       0.7340      0.00000
    120       0.9821      0.00000
    121       1.1128      0.00000
    122       1.2350      0.00000
    123       1.3314      0.00000
    124       1.4318      0.00000
    125       1.4894      0.00000
    126       1.7348      0.00000
    127       1.7518      0.00000
    128       1.7955      0.00000
    129       1.8560      0.00000
    130       1.9482      0.00000
    131       2.1600      0.00000
    132       2.2003      0.00000
    133       2.2393      0.00000
    134       2.4244      0.00000
    135       2.5078      0.00000
    136       2.5902      0.00000
    137       2.6802      0.00000
    138       2.6917      0.00000
    139       2.7617      0.00000
    140       2.7830      0.00000
    141       2.8324      0.00000
    142       2.8502      0.00000
    143       2.9772      0.00000
    144       3.0375      0.00000
    145       3.2490      0.00000
    146       3.3295      0.00000
    147       3.3528      0.00000
    148       3.4389      0.00000
    149       3.5118      0.00000
    150       3.5561      0.00000
    151       3.6379      0.00000
    152       3.7133      0.00000
    153       3.7488      0.00000
    154       3.9165      0.00000
    155       3.9454      0.00000
    156       4.0131      0.00000
    157       4.0586      0.00000
    158       4.1440      0.00000
    159       4.2551      0.00000
    160       4.2630      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2235      1.00000
      2     -22.0320      1.00000
      3     -21.6723      1.00000
      4     -21.6432      1.00000
      5     -20.9285      1.00000
      6     -20.8983      1.00000
      7     -20.5677      1.00000
      8     -20.5338      1.00000
      9     -20.5248      1.00000
     10     -19.9913      1.00000
     11     -19.4670      1.00000
     12     -19.4393      1.00000
     13     -19.2756      1.00000
     14     -19.2564      1.00000
     15     -18.4051      1.00000
     16     -18.3681      1.00000
     17     -17.8950      1.00000
     18     -17.8683      1.00000
     19     -17.7169      1.00000
     20     -17.6820      1.00000
     21     -17.4072      1.00000
     22     -17.3880      1.00000
     23     -17.3001      1.00000
     24     -16.4370      1.00000
     25     -16.4173      1.00000
     26     -15.9263      1.00000
     27     -15.3818      1.00000
     28     -15.3646      1.00000
     29     -15.0686      1.00000
     30     -15.0484      1.00000
     31     -14.8298      1.00000
     32     -14.7972      1.00000
     33     -14.2560      1.00000
     34     -14.2246      1.00000
     35     -13.4128      1.00000
     36     -13.3724      1.00000
     37     -13.1568      1.00000
     38     -13.1285      1.00000
     39     -12.9408      1.00000
     40     -12.9332      1.00000
     41     -12.5990      1.00000
     42     -12.5664      1.00000
     43     -12.1739      1.00000
     44     -11.5601      1.00000
     45     -11.5009      1.00000
     46     -11.2940      1.00000
     47     -11.2503      1.00000
     48     -11.1253      1.00000
     49     -10.6788      1.00000
     50     -10.6412      1.00000
     51     -10.4484      1.00000
     52     -10.2929      1.00000
     53     -10.2732      1.00000
     54     -10.1573      1.00000
     55     -10.0914      1.00000
     56     -10.0690      1.00000
     57      -9.7895      1.00000
     58      -9.7467      1.00000
     59      -9.6975      1.00000
     60      -9.6756      1.00000
     61      -9.6628      1.00000
     62      -9.5999      1.00000
     63      -9.3414      1.00000
     64      -9.3257      1.00000
     65      -9.2855      1.00000
     66      -9.0214      1.00000
     67      -8.9443      1.00000
     68      -8.8346      1.00000
     69      -8.7624      1.00000
     70      -8.5878      1.00000
     71      -8.4927      1.00000
     72      -8.3709      1.00000
     73      -8.3634      1.00000
     74      -8.3015      1.00000
     75      -8.2480      1.00000
     76      -8.2342      1.00000
     77      -8.2136      1.00000
     78      -8.1922      1.00000
     79      -7.8751      1.00000
     80      -7.7432      1.00000
     81      -7.3798      1.00000
     82      -7.3298      1.00000
     83      -7.3052      1.00000
     84      -7.2122      1.00000
     85      -7.1863      1.00000
     86      -6.9542      1.00000
     87      -6.9332      1.00000
     88      -6.5875      1.00000
     89      -6.5479      1.00000
     90      -6.2571      1.00000
     91      -6.2032      1.00000
     92      -5.9767      1.00000
     93      -5.8181      1.00000
     94      -5.6659      1.00000
     95      -5.5132      1.00000
     96      -5.3353      1.00000
     97      -5.2978      1.00000
     98      -5.1971      1.00000
     99      -5.1810      1.00000
    100      -5.1046      1.00000
    101      -4.6971      1.00000
    102      -4.5482      1.00000
    103      -4.4508      1.00000
    104      -3.9191      1.00000
    105      -3.7132      1.00000
    106      -3.5364      1.00000
    107      -2.9672      0.00000
    108      -1.8114      0.00000
    109      -1.7539      0.00000
    110      -1.0989      0.00000
    111      -0.9610      0.00000
    112      -0.9465      0.00000
    113      -0.6574      0.00000
    114      -0.5900      0.00000
    115      -0.5768      0.00000
    116      -0.5406      0.00000
    117       0.1718      0.00000
    118       0.2485      0.00000
    119       0.7822      0.00000
    120       1.0008      0.00000
    121       1.1151      0.00000
    122       1.1701      0.00000
    123       1.3542      0.00000
    124       1.4756      0.00000
    125       1.5911      0.00000
    126       1.5990      0.00000
    127       1.6680      0.00000
    128       1.8897      0.00000
    129       1.9356      0.00000
    130       2.0168      0.00000
    131       2.1700      0.00000
    132       2.3350      0.00000
    133       2.3839      0.00000
    134       2.4008      0.00000
    135       2.5945      0.00000
    136       2.6771      0.00000
    137       2.7180      0.00000
    138       2.7632      0.00000
    139       2.8251      0.00000
    140       2.9961      0.00000
    141       3.0434      0.00000
    142       3.0694      0.00000
    143       3.1307      0.00000
    144       3.2463      0.00000
    145       3.3213      0.00000
    146       3.3678      0.00000
    147       3.4377      0.00000
    148       3.5317      0.00000
    149       3.5664      0.00000
    150       3.5952      0.00000
    151       3.6591      0.00000
    152       3.6906      0.00000
    153       3.7427      0.00000
    154       3.7665      0.00000
    155       3.7804      0.00000
    156       3.9144      0.00000
    157       3.9178      0.00000
    158       4.0169      0.00000
    159       4.2056      0.00000
    160       4.2816      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2605      1.00000
      2     -21.8892      1.00000
      3     -21.8762      1.00000
      4     -21.3274      1.00000
      5     -21.3169      1.00000
      6     -20.7712      1.00000
      7     -20.7562      1.00000
      8     -20.5786      1.00000
      9     -20.0327      1.00000
     10     -20.0288      1.00000
     11     -19.6711      1.00000
     12     -19.6582      1.00000
     13     -18.9504      1.00000
     14     -18.9492      1.00000
     15     -18.5976      1.00000
     16     -18.5961      1.00000
     17     -18.4162      1.00000
     18     -17.6390      1.00000
     19     -17.5849      1.00000
     20     -17.5620      1.00000
     21     -17.5565      1.00000
     22     -17.0762      1.00000
     23     -17.0739      1.00000
     24     -16.9372      1.00000
     25     -15.9715      1.00000
     26     -15.8851      1.00000
     27     -15.5560      1.00000
     28     -15.5376      1.00000
     29     -15.2466      1.00000
     30     -14.8273      1.00000
     31     -14.8036      1.00000
     32     -14.5399      1.00000
     33     -14.5086      1.00000
     34     -14.1255      1.00000
     35     -14.1210      1.00000
     36     -13.1239      1.00000
     37     -13.0482      1.00000
     38     -13.0166      1.00000
     39     -12.9872      1.00000
     40     -12.6784      1.00000
     41     -12.6775      1.00000
     42     -12.2910      1.00000
     43     -12.2841      1.00000
     44     -11.6419      1.00000
     45     -11.5914      1.00000
     46     -11.5246      1.00000
     47     -10.9369      1.00000
     48     -10.8865      1.00000
     49     -10.6408      1.00000
     50     -10.6059      1.00000
     51     -10.4792      1.00000
     52     -10.4691      1.00000
     53     -10.4281      1.00000
     54     -10.4057      1.00000
     55     -10.3207      1.00000
     56     -10.0400      1.00000
     57      -9.8766      1.00000
     58      -9.5931      1.00000
     59      -9.5289      1.00000
     60      -9.5003      1.00000
     61      -9.3788      1.00000
     62      -9.3766      1.00000
     63      -9.3530      1.00000
     64      -9.2949      1.00000
     65      -9.2440      1.00000
     66      -9.1598      1.00000
     67      -9.1147      1.00000
     68      -9.0631      1.00000
     69      -8.8428      1.00000
     70      -8.8231      1.00000
     71      -8.6777      1.00000
     72      -8.5728      1.00000
     73      -8.4174      1.00000
     74      -8.1932      1.00000
     75      -8.1437      1.00000
     76      -7.9769      1.00000
     77      -7.8933      1.00000
     78      -7.8290      1.00000
     79      -7.8084      1.00000
     80      -7.7648      1.00000
     81      -7.6822      1.00000
     82      -7.6232      1.00000
     83      -7.4085      1.00000
     84      -7.3499      1.00000
     85      -6.9027      1.00000
     86      -6.8884      1.00000
     87      -6.7366      1.00000
     88      -6.6461      1.00000
     89      -6.4295      1.00000
     90      -6.3462      1.00000
     91      -6.2889      1.00000
     92      -6.1670      1.00000
     93      -5.9656      1.00000
     94      -5.5741      1.00000
     95      -5.4833      1.00000
     96      -5.4074      1.00000
     97      -5.3643      1.00000
     98      -5.1843      1.00000
     99      -5.1038      1.00000
    100      -4.7648      1.00000
    101      -4.7011      1.00000
    102      -4.5720      1.00000
    103      -4.4193      1.00000
    104      -4.2039      1.00000
    105      -3.5534      1.00000
    106      -3.4139      1.00000
    107      -3.0452      0.00000
    108      -2.0854      0.00000
    109      -1.2235      0.00000
    110      -1.2034      0.00000
    111      -1.1747      0.00000
    112      -0.9457      0.00000
    113      -0.8465      0.00000
    114      -0.7993      0.00000
    115      -0.7161      0.00000
    116       0.2063      0.00000
    117       0.2147      0.00000
    118       0.2953      0.00000
    119       0.7607      0.00000
    120       0.8206      0.00000
    121       0.9147      0.00000
    122       1.1117      0.00000
    123       1.3252      0.00000
    124       1.5016      0.00000
    125       1.5652      0.00000
    126       1.8043      0.00000
    127       1.8286      0.00000
    128       1.8616      0.00000
    129       1.9574      0.00000
    130       1.9599      0.00000
    131       2.2446      0.00000
    132       2.3857      0.00000
    133       2.4049      0.00000
    134       2.4188      0.00000
    135       2.5563      0.00000
    136       2.5780      0.00000
    137       2.6310      0.00000
    138       2.7059      0.00000
    139       2.7340      0.00000
    140       2.9538      0.00000
    141       3.0441      0.00000
    142       3.1213      0.00000
    143       3.1697      0.00000
    144       3.2030      0.00000
    145       3.2155      0.00000
    146       3.3033      0.00000
    147       3.3174      0.00000
    148       3.4975      0.00000
    149       3.5052      0.00000
    150       3.6223      0.00000
    151       3.6782      0.00000
    152       3.6914      0.00000
    153       3.7870      0.00000
    154       3.9192      0.00000
    155       3.9629      0.00000
    156       3.9666      0.00000
    157       3.9866      0.00000
    158       3.9962      0.00000
    159       4.0455      0.00000
    160       4.1531      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1288      1.00000
      2     -22.0899      1.00000
      3     -21.9190      1.00000
      4     -21.3597      1.00000
      5     -21.0044      1.00000
      6     -20.9690      1.00000
      7     -20.4529      1.00000
      8     -20.4155      1.00000
      9     -20.2610      1.00000
     10     -20.2317      1.00000
     11     -19.9019      1.00000
     12     -19.8641      1.00000
     13     -18.8294      1.00000
     14     -18.7862      1.00000
     15     -18.3097      1.00000
     16     -18.2615      1.00000
     17     -18.1219      1.00000
     18     -18.0940      1.00000
     19     -17.7838      1.00000
     20     -17.7469      1.00000
     21     -17.2232      1.00000
     22     -17.2036      1.00000
     23     -17.1258      1.00000
     24     -17.0966      1.00000
     25     -16.0682      1.00000
     26     -15.8490      1.00000
     27     -15.8288      1.00000
     28     -15.7946      1.00000
     29     -15.2018      1.00000
     30     -14.5278      1.00000
     31     -14.4869      1.00000
     32     -14.2460      1.00000
     33     -13.9332      1.00000
     34     -13.9232      1.00000
     35     -13.7901      1.00000
     36     -13.7774      1.00000
     37     -13.5784      1.00000
     38     -13.5320      1.00000
     39     -13.3265      1.00000
     40     -12.5923      1.00000
     41     -12.1707      1.00000
     42     -12.0991      1.00000
     43     -12.0285      1.00000
     44     -11.9901      1.00000
     45     -11.6600      1.00000
     46     -11.6265      1.00000
     47     -11.1380      1.00000
     48     -11.0853      1.00000
     49     -10.7773      1.00000
     50     -10.7037      1.00000
     51     -10.4033      1.00000
     52     -10.1975      1.00000
     53     -10.1652      1.00000
     54     -10.1280      1.00000
     55      -9.9962      1.00000
     56      -9.9871      1.00000
     57      -9.9432      1.00000
     58      -9.7928      1.00000
     59      -9.7758      1.00000
     60      -9.7456      1.00000
     61      -9.7268      1.00000
     62      -9.4369      1.00000
     63      -9.3359      1.00000
     64      -9.0866      1.00000
     65      -9.0535      1.00000
     66      -9.0006      1.00000
     67      -8.8880      1.00000
     68      -8.8250      1.00000
     69      -8.7068      1.00000
     70      -8.6692      1.00000
     71      -8.5618      1.00000
     72      -8.5047      1.00000
     73      -8.4614      1.00000
     74      -8.4451      1.00000
     75      -8.3316      1.00000
     76      -8.1969      1.00000
     77      -8.0640      1.00000
     78      -7.9797      1.00000
     79      -7.9098      1.00000
     80      -7.8926      1.00000
     81      -7.6972      1.00000
     82      -7.5622      1.00000
     83      -7.4857      1.00000
     84      -6.9878      1.00000
     85      -6.9222      1.00000
     86      -6.8737      1.00000
     87      -6.7419      1.00000
     88      -6.5176      1.00000
     89      -6.4587      1.00000
     90      -6.3808      1.00000
     91      -6.1928      1.00000
     92      -5.9268      1.00000
     93      -5.8003      1.00000
     94      -5.7427      1.00000
     95      -5.5617      1.00000
     96      -5.3734      1.00000
     97      -5.2449      1.00000
     98      -5.1950      1.00000
     99      -5.1734      1.00000
    100      -5.1200      1.00000
    101      -4.8169      1.00000
    102      -4.5403      1.00000
    103      -4.4566      1.00000
    104      -4.2495      1.00000
    105      -3.5548      1.00000
    106      -3.2885      1.00000
    107      -2.9476      0.00000
    108      -2.3357      0.00000
    109      -1.1950      0.00000
    110      -1.1583      0.00000
    111      -1.0971      0.00000
    112      -1.0682      0.00000
    113      -0.5108      0.00000
    114      -0.4604      0.00000
    115      -0.2965      0.00000
    116      -0.2725      0.00000
    117      -0.0084      0.00000
    118       0.0287      0.00000
    119       0.5364      0.00000
    120       0.6475      0.00000
    121       0.8754      0.00000
    122       0.9725      0.00000
    123       1.1874      0.00000
    124       1.5238      0.00000
    125       1.7435      0.00000
    126       1.7671      0.00000
    127       2.0047      0.00000
    128       2.0907      0.00000
    129       2.1257      0.00000
    130       2.1416      0.00000
    131       2.2545      0.00000
    132       2.3037      0.00000
    133       2.3470      0.00000
    134       2.4560      0.00000
    135       2.6646      0.00000
    136       2.7558      0.00000
    137       2.7916      0.00000
    138       2.8759      0.00000
    139       2.9460      0.00000
    140       2.9871      0.00000
    141       3.0414      0.00000
    142       3.1001      0.00000
    143       3.1526      0.00000
    144       3.2264      0.00000
    145       3.2542      0.00000
    146       3.2877      0.00000
    147       3.3184      0.00000
    148       3.3447      0.00000
    149       3.3753      0.00000
    150       3.5200      0.00000
    151       3.5818      0.00000
    152       3.6481      0.00000
    153       3.6765      0.00000
    154       3.7023      0.00000
    155       3.7208      0.00000
    156       3.7851      0.00000
    157       3.9521      0.00000
    158       4.0473      0.00000
    159       4.1109      0.00000
    160       4.2438      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2602      1.00000
      2     -21.9018      1.00000
      3     -21.8637      1.00000
      4     -21.3387      1.00000
      5     -21.3036      1.00000
      6     -20.7838      1.00000
      7     -20.7457      1.00000
      8     -20.5797      1.00000
      9     -20.0475      1.00000
     10     -20.0125      1.00000
     11     -19.6816      1.00000
     12     -19.6474      1.00000
     13     -18.9686      1.00000
     14     -18.9318      1.00000
     15     -18.6112      1.00000
     16     -18.5756      1.00000
     17     -18.4202      1.00000
     18     -17.6332      1.00000
     19     -17.5952      1.00000
     20     -17.5678      1.00000
     21     -17.5517      1.00000
     22     -17.0973      1.00000
     23     -17.0574      1.00000
     24     -16.9312      1.00000
     25     -15.9735      1.00000
     26     -15.8810      1.00000
     27     -15.5638      1.00000
     28     -15.5280      1.00000
     29     -15.2447      1.00000
     30     -14.8439      1.00000
     31     -14.7896      1.00000
     32     -14.5372      1.00000
     33     -14.5063      1.00000
     34     -14.1318      1.00000
     35     -14.1228      1.00000
     36     -13.1470      1.00000
     37     -13.0471      1.00000
     38     -12.9991      1.00000
     39     -12.9789      1.00000
     40     -12.6985      1.00000
     41     -12.6551      1.00000
     42     -12.2898      1.00000
     43     -12.2871      1.00000
     44     -11.6217      1.00000
     45     -11.5952      1.00000
     46     -11.5363      1.00000
     47     -10.9242      1.00000
     48     -10.9024      1.00000
     49     -10.7087      1.00000
     50     -10.5629      1.00000
     51     -10.5318      1.00000
     52     -10.4711      1.00000
     53     -10.4174      1.00000
     54     -10.3635      1.00000
     55     -10.3135      1.00000
     56     -10.0342      1.00000
     57      -9.8710      1.00000
     58      -9.5993      1.00000
     59      -9.5208      1.00000
     60      -9.4504      1.00000
     61      -9.4105      1.00000
     62      -9.3687      1.00000
     63      -9.3440      1.00000
     64      -9.2921      1.00000
     65      -9.2478      1.00000
     66      -9.1399      1.00000
     67      -9.1012      1.00000
     68      -9.0797      1.00000
     69      -8.8519      1.00000
     70      -8.8370      1.00000
     71      -8.7041      1.00000
     72      -8.5618      1.00000
     73      -8.4399      1.00000
     74      -8.1958      1.00000
     75      -8.1812      1.00000
     76      -8.0365      1.00000
     77      -7.8701      1.00000
     78      -7.8070      1.00000
     79      -7.7562      1.00000
     80      -7.7187      1.00000
     81      -7.6773      1.00000
     82      -7.6429      1.00000
     83      -7.4492      1.00000
     84      -7.3084      1.00000
     85      -6.9132      1.00000
     86      -6.9029      1.00000
     87      -6.7722      1.00000
     88      -6.5541      1.00000
     89      -6.3772      1.00000
     90      -6.3254      1.00000
     91      -6.2777      1.00000
     92      -6.1751      1.00000
     93      -6.0729      1.00000
     94      -5.7892      1.00000
     95      -5.5299      1.00000
     96      -5.3628      1.00000
     97      -5.2076      1.00000
     98      -5.1782      1.00000
     99      -5.0265      1.00000
    100      -4.8197      1.00000
    101      -4.6599      1.00000
    102      -4.4920      1.00000
    103      -4.4295      1.00000
    104      -4.2429      1.00000
    105      -3.6234      1.00000
    106      -3.5454      1.00000
    107      -2.8450      0.00000
    108      -2.1462      0.00000
    109      -1.2589      0.00000
    110      -1.1971      0.00000
    111      -1.1737      0.00000
    112      -0.8821      0.00000
    113      -0.8617      0.00000
    114      -0.7814      0.00000
    115      -0.7464      0.00000
    116       0.1371      0.00000
    117       0.2368      0.00000
    118       0.3206      0.00000
    119       0.7125      0.00000
    120       0.8552      0.00000
    121       0.9353      0.00000
    122       1.1618      0.00000
    123       1.2534      0.00000
    124       1.5174      0.00000
    125       1.5588      0.00000
    126       1.7987      0.00000
    127       1.8734      0.00000
    128       1.8810      0.00000
    129       1.9534      0.00000
    130       2.0403      0.00000
    131       2.2118      0.00000
    132       2.3228      0.00000
    133       2.4039      0.00000
    134       2.4323      0.00000
    135       2.5695      0.00000
    136       2.6068      0.00000
    137       2.6595      0.00000
    138       2.7102      0.00000
    139       2.7424      0.00000
    140       2.8788      0.00000
    141       3.0279      0.00000
    142       3.1246      0.00000
    143       3.1817      0.00000
    144       3.2012      0.00000
    145       3.2304      0.00000
    146       3.2686      0.00000
    147       3.3101      0.00000
    148       3.4353      0.00000
    149       3.5197      0.00000
    150       3.6001      0.00000
    151       3.6828      0.00000
    152       3.6958      0.00000
    153       3.8492      0.00000
    154       3.9043      0.00000
    155       3.9164      0.00000
    156       3.9512      0.00000
    157       3.9874      0.00000
    158       3.9984      0.00000
    159       4.0681      0.00000
    160       4.1519      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3351      1.00000
      2     -21.7749      1.00000
      3     -21.5933      1.00000
      4     -21.5690      1.00000
      5     -21.2244      1.00000
      6     -21.1954      1.00000
      7     -21.0205      1.00000
      8     -20.1203      1.00000
      9     -20.0892      1.00000
     10     -19.5747      1.00000
     11     -19.5426      1.00000
     12     -19.3756      1.00000
     13     -19.0600      1.00000
     14     -19.0210      1.00000
     15     -19.0049      1.00000
     16     -18.9882      1.00000
     17     -18.3319      1.00000
     18     -18.3028      1.00000
     19     -17.9800      1.00000
     20     -17.0291      1.00000
     21     -16.9912      1.00000
     22     -16.9236      1.00000
     23     -16.8964      1.00000
     24     -16.4472      1.00000
     25     -16.4112      1.00000
     26     -15.5832      1.00000
     27     -15.5545      1.00000
     28     -15.2181      1.00000
     29     -15.1976      1.00000
     30     -15.1546      1.00000
     31     -15.0710      1.00000
     32     -15.0184      1.00000
     33     -14.6746      1.00000
     34     -14.6467      1.00000
     35     -13.7101      1.00000
     36     -13.6764      1.00000
     37     -13.2016      1.00000
     38     -12.6284      1.00000
     39     -12.5307      1.00000
     40     -12.4214      1.00000
     41     -12.3999      1.00000
     42     -12.0910      1.00000
     43     -12.0679      1.00000
     44     -11.6854      1.00000
     45     -11.6528      1.00000
     46     -11.2788      1.00000
     47     -11.1801      1.00000
     48     -10.9938      1.00000
     49     -10.9637      1.00000
     50     -10.9002      1.00000
     51     -10.8673      1.00000
     52     -10.5607      1.00000
     53     -10.1974      1.00000
     54     -10.1013      1.00000
     55     -10.0478      1.00000
     56      -9.8879      1.00000
     57      -9.6715      1.00000
     58      -9.6700      1.00000
     59      -9.6281      1.00000
     60      -9.6037      1.00000
     61      -9.5341      1.00000
     62      -9.4762      1.00000
     63      -9.3116      1.00000
     64      -9.2637      1.00000
     65      -9.2279      1.00000
     66      -9.1931      1.00000
     67      -9.0925      1.00000
     68      -9.0904      1.00000
     69      -9.0666      1.00000
     70      -8.9061      1.00000
     71      -8.8465      1.00000
     72      -8.5837      1.00000
     73      -8.5764      1.00000
     74      -8.1620      1.00000
     75      -8.0121      1.00000
     76      -7.9447      1.00000
     77      -7.8929      1.00000
     78      -7.7827      1.00000
     79      -7.7247      1.00000
     80      -7.7128      1.00000
     81      -7.3968      1.00000
     82      -7.2698      1.00000
     83      -7.2328      1.00000
     84      -7.2175      1.00000
     85      -7.1595      1.00000
     86      -6.9850      1.00000
     87      -6.8563      1.00000
     88      -6.6932      1.00000
     89      -6.6585      1.00000
     90      -6.5910      1.00000
     91      -6.1516      1.00000
     92      -6.0865      1.00000
     93      -6.0712      1.00000
     94      -5.9192      1.00000
     95      -5.8872      1.00000
     96      -5.3828      1.00000
     97      -5.1900      1.00000
     98      -4.8701      1.00000
     99      -4.8555      1.00000
    100      -4.6546      1.00000
    101      -4.5210      1.00000
    102      -4.3916      1.00000
    103      -4.2674      1.00000
    104      -4.0630      1.00000
    105      -4.0276      1.00000
    106      -3.5643      1.00000
    107      -2.8645      0.00000
    108      -1.7184      0.00000
    109      -1.7159      0.00000
    110      -1.3170      0.00000
    111      -1.2577      0.00000
    112      -1.2268      0.00000
    113      -1.2104      0.00000
    114      -0.5493      0.00000
    115      -0.2632      0.00000
    116      -0.1216      0.00000
    117       0.5770      0.00000
    118       0.6659      0.00000
    119       0.8005      0.00000
    120       0.9618      0.00000
    121       1.1464      0.00000
    122       1.2099      0.00000
    123       1.2802      0.00000
    124       1.4414      0.00000
    125       1.6097      0.00000
    126       1.6801      0.00000
    127       1.7609      0.00000
    128       1.7651      0.00000
    129       1.9011      0.00000
    130       1.9271      0.00000
    131       2.1799      0.00000
    132       2.1883      0.00000
    133       2.2253      0.00000
    134       2.4712      0.00000
    135       2.4843      0.00000
    136       2.5688      0.00000
    137       2.6228      0.00000
    138       2.7081      0.00000
    139       2.7859      0.00000
    140       2.8108      0.00000
    141       2.8642      0.00000
    142       2.9411      0.00000
    143       2.9671      0.00000
    144       3.0054      0.00000
    145       3.1239      0.00000
    146       3.3319      0.00000
    147       3.3628      0.00000
    148       3.4069      0.00000
    149       3.5615      0.00000
    150       3.5957      0.00000
    151       3.6318      0.00000
    152       3.6593      0.00000
    153       3.7721      0.00000
    154       3.7821      0.00000
    155       3.9904      0.00000
    156       4.0239      0.00000
    157       4.0302      0.00000
    158       4.1032      0.00000
    159       4.2250      0.00000
    160       4.3463      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1189      1.00000
      2     -22.1020      1.00000
      3     -21.9166      1.00000
      4     -21.3590      1.00000
      5     -20.9924      1.00000
      6     -20.9821      1.00000
      7     -20.4404      1.00000
      8     -20.4283      1.00000
      9     -20.2499      1.00000
     10     -20.2468      1.00000
     11     -19.8881      1.00000
     12     -19.8735      1.00000
     13     -18.8206      1.00000
     14     -18.7937      1.00000
     15     -18.2876      1.00000
     16     -18.2813      1.00000
     17     -18.1119      1.00000
     18     -18.1069      1.00000
     19     -17.7693      1.00000
     20     -17.7642      1.00000
     21     -17.2246      1.00000
     22     -17.1979      1.00000
     23     -17.1319      1.00000
     24     -17.0943      1.00000
     25     -16.0733      1.00000
     26     -15.8402      1.00000
     27     -15.8276      1.00000
     28     -15.7949      1.00000
     29     -15.2019      1.00000
     30     -14.5129      1.00000
     31     -14.5004      1.00000
     32     -14.2480      1.00000
     33     -13.9548      1.00000
     34     -13.9176      1.00000
     35     -13.7809      1.00000
     36     -13.7674      1.00000
     37     -13.5686      1.00000
     38     -13.5484      1.00000
     39     -13.3258      1.00000
     40     -12.5977      1.00000
     41     -12.1388      1.00000
     42     -12.1264      1.00000
     43     -12.0173      1.00000
     44     -11.9992      1.00000
     45     -11.6435      1.00000
     46     -11.6297      1.00000
     47     -11.1383      1.00000
     48     -11.1033      1.00000
     49     -10.7681      1.00000
     50     -10.7096      1.00000
     51     -10.4424      1.00000
     52     -10.1733      1.00000
     53     -10.1647      1.00000
     54     -10.1497      1.00000
     55      -9.9998      1.00000
     56      -9.9571      1.00000
     57      -9.9340      1.00000
     58      -9.8083      1.00000
     59      -9.7635      1.00000
     60      -9.7370      1.00000
     61      -9.7251      1.00000
     62      -9.4389      1.00000
     63      -9.3304      1.00000
     64      -9.0726      1.00000
     65      -9.0352      1.00000
     66      -8.9842      1.00000
     67      -8.9395      1.00000
     68      -8.8086      1.00000
     69      -8.6844      1.00000
     70      -8.6684      1.00000
     71      -8.5558      1.00000
     72      -8.5262      1.00000
     73      -8.4517      1.00000
     74      -8.4464      1.00000
     75      -8.2990      1.00000
     76      -8.2339      1.00000
     77      -8.1076      1.00000
     78      -8.0537      1.00000
     79      -8.0204      1.00000
     80      -7.7746      1.00000
     81      -7.6045      1.00000
     82      -7.5909      1.00000
     83      -7.4801      1.00000
     84      -6.9846      1.00000
     85      -6.9321      1.00000
     86      -6.8381      1.00000
     87      -6.5774      1.00000
     88      -6.5578      1.00000
     89      -6.4605      1.00000
     90      -6.4178      1.00000
     91      -6.3301      1.00000
     92      -5.9875      1.00000
     93      -5.7720      1.00000
     94      -5.7294      1.00000
     95      -5.5674      1.00000
     96      -5.3801      1.00000
     97      -5.2204      1.00000
     98      -5.1980      1.00000
     99      -5.1761      1.00000
    100      -5.1494      1.00000
    101      -4.6394      1.00000
    102      -4.5036      1.00000
    103      -4.4395      1.00000
    104      -4.3874      1.00000
    105      -3.5695      1.00000
    106      -3.4206      1.00000
    107      -2.7282      0.00000
    108      -2.4270      0.00000
    109      -1.1807      0.00000
    110      -1.1613      0.00000
    111      -1.1345      0.00000
    112      -1.0635      0.00000
    113      -0.4800      0.00000
    114      -0.4697      0.00000
    115      -0.3279      0.00000
    116      -0.2507      0.00000
    117       0.0176      0.00000
    118       0.0199      0.00000
    119       0.5117      0.00000
    120       0.6516      0.00000
    121       0.8099      0.00000
    122       1.0051      0.00000
    123       1.2380      0.00000
    124       1.4842      0.00000
    125       1.7588      0.00000
    126       1.9432      0.00000
    127       1.9510      0.00000
    128       2.0195      0.00000
    129       2.0721      0.00000
    130       2.1726      0.00000
    131       2.2785      0.00000
    132       2.2852      0.00000
    133       2.3444      0.00000
    134       2.5523      0.00000
    135       2.6340      0.00000
    136       2.6775      0.00000
    137       2.8497      0.00000
    138       2.8900      0.00000
    139       2.9579      0.00000
    140       2.9647      0.00000
    141       3.1139      0.00000
    142       3.1365      0.00000
    143       3.1429      0.00000
    144       3.1780      0.00000
    145       3.2391      0.00000
    146       3.2443      0.00000
    147       3.3277      0.00000
    148       3.3561      0.00000
    149       3.3724      0.00000
    150       3.4036      0.00000
    151       3.5059      0.00000
    152       3.6176      0.00000
    153       3.6674      0.00000
    154       3.6711      0.00000
    155       3.8288      0.00000
    156       3.9043      0.00000
    157       3.9625      0.00000
    158       3.9852      0.00000
    159       4.1018      0.00000
    160       4.1943      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2226      1.00000
      2     -22.0347      1.00000
      3     -21.6690      1.00000
      4     -21.6437      1.00000
      5     -20.9286      1.00000
      6     -20.8988      1.00000
      7     -20.5593      1.00000
      8     -20.5403      1.00000
      9     -20.5289      1.00000
     10     -19.9936      1.00000
     11     -19.4644      1.00000
     12     -19.4341      1.00000
     13     -19.2794      1.00000
     14     -19.2540      1.00000
     15     -18.4023      1.00000
     16     -18.3712      1.00000
     17     -17.8957      1.00000
     18     -17.8652      1.00000
     19     -17.7187      1.00000
     20     -17.6858      1.00000
     21     -17.4102      1.00000
     22     -17.3809      1.00000
     23     -17.3075      1.00000
     24     -16.4471      1.00000
     25     -16.4068      1.00000
     26     -15.9225      1.00000
     27     -15.3842      1.00000
     28     -15.3554      1.00000
     29     -15.0720      1.00000
     30     -15.0411      1.00000
     31     -14.8270      1.00000
     32     -14.8080      1.00000
     33     -14.2756      1.00000
     34     -14.2066      1.00000
     35     -13.4325      1.00000
     36     -13.3525      1.00000
     37     -13.1605      1.00000
     38     -13.1275      1.00000
     39     -12.9526      1.00000
     40     -12.9225      1.00000
     41     -12.5978      1.00000
     42     -12.5691      1.00000
     43     -12.1668      1.00000
     44     -11.5439      1.00000
     45     -11.5074      1.00000
     46     -11.2838      1.00000
     47     -11.2545      1.00000
     48     -11.1220      1.00000
     49     -10.7610      1.00000
     50     -10.6243      1.00000
     51     -10.4479      1.00000
     52     -10.2803      1.00000
     53     -10.2742      1.00000
     54     -10.1663      1.00000
     55     -10.0904      1.00000
     56     -10.0555      1.00000
     57      -9.8027      1.00000
     58      -9.6959      1.00000
     59      -9.6885      1.00000
     60      -9.6817      1.00000
     61      -9.6643      1.00000
     62      -9.6035      1.00000
     63      -9.3395      1.00000
     64      -9.3121      1.00000
     65      -9.2922      1.00000
     66      -8.9722      1.00000
     67      -8.9350      1.00000
     68      -8.8799      1.00000
     69      -8.7490      1.00000
     70      -8.5693      1.00000
     71      -8.4859      1.00000
     72      -8.4051      1.00000
     73      -8.3677      1.00000
     74      -8.2882      1.00000
     75      -8.2447      1.00000
     76      -8.2430      1.00000
     77      -8.2256      1.00000
     78      -8.2037      1.00000
     79      -7.9961      1.00000
     80      -7.7830      1.00000
     81      -7.4013      1.00000
     82      -7.2964      1.00000
     83      -7.2185      1.00000
     84      -7.1289      1.00000
     85      -7.0917      1.00000
     86      -6.9508      1.00000
     87      -6.9048      1.00000
     88      -6.6073      1.00000
     89      -6.5376      1.00000
     90      -6.4351      1.00000
     91      -6.2727      1.00000
     92      -5.9113      1.00000
     93      -5.8239      1.00000
     94      -5.6749      1.00000
     95      -5.5797      1.00000
     96      -5.3076      1.00000
     97      -5.2676      1.00000
     98      -5.1849      1.00000
     99      -5.1847      1.00000
    100      -5.1568      1.00000
    101      -4.5210      1.00000
    102      -4.4553      1.00000
    103      -4.4008      1.00000
    104      -4.0665      1.00000
    105      -3.9142      1.00000
    106      -3.5162      1.00000
    107      -2.8134      0.00000
    108      -1.8244      0.00000
    109      -1.8091      0.00000
    110      -1.0559      0.00000
    111      -1.0191      0.00000
    112      -0.9356      0.00000
    113      -0.6625      0.00000
    114      -0.5926      0.00000
    115      -0.5587      0.00000
    116      -0.5342      0.00000
    117       0.1695      0.00000
    118       0.2719      0.00000
    119       0.7023      0.00000
    120       0.9707      0.00000
    121       1.0861      0.00000
    122       1.2475      0.00000
    123       1.4139      0.00000
    124       1.5269      0.00000
    125       1.5954      0.00000
    126       1.6094      0.00000
    127       1.6385      0.00000
    128       1.8332      0.00000
    129       1.9275      0.00000
    130       2.1059      0.00000
    131       2.1841      0.00000
    132       2.3280      0.00000
    133       2.3739      0.00000
    134       2.4626      0.00000
    135       2.5957      0.00000
    136       2.6576      0.00000
    137       2.7182      0.00000
    138       2.7328      0.00000
    139       2.8379      0.00000
    140       2.9390      0.00000
    141       3.0423      0.00000
    142       3.0667      0.00000
    143       3.1842      0.00000
    144       3.2778      0.00000
    145       3.3260      0.00000
    146       3.3283      0.00000
    147       3.4525      0.00000
    148       3.5232      0.00000
    149       3.5619      0.00000
    150       3.6026      0.00000
    151       3.6131      0.00000
    152       3.6834      0.00000
    153       3.7257      0.00000
    154       3.7537      0.00000
    155       3.7548      0.00000
    156       3.8331      0.00000
    157       3.9151      0.00000
    158       3.9901      0.00000
    159       4.0179      0.00000
    160       4.2536      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3727      1.00000
      2     -21.5035      1.00000
      3     -21.4327      1.00000
      4     -21.4301      1.00000
      5     -21.4184      1.00000
      6     -21.4084      1.00000
      7     -21.4050      1.00000
      8     -19.6631      1.00000
      9     -19.5997      1.00000
     10     -19.5938      1.00000
     11     -19.5792      1.00000
     12     -19.5679      1.00000
     13     -19.5667      1.00000
     14     -18.7623      1.00000
     15     -18.7075      1.00000
     16     -18.6955      1.00000
     17     -18.6826      1.00000
     18     -18.6742      1.00000
     19     -18.6728      1.00000
     20     -16.6229      1.00000
     21     -16.5592      1.00000
     22     -16.5543      1.00000
     23     -16.5274      1.00000
     24     -16.5261      1.00000
     25     -16.5208      1.00000
     26     -15.5886      1.00000
     27     -15.5732      1.00000
     28     -15.5363      1.00000
     29     -15.5287      1.00000
     30     -15.5262      1.00000
     31     -15.5033      1.00000
     32     -14.2546      1.00000
     33     -14.2233      1.00000
     34     -14.1971      1.00000
     35     -14.1921      1.00000
     36     -14.1786      1.00000
     37     -14.1699      1.00000
     38     -11.9747      1.00000
     39     -11.8712      1.00000
     40     -11.8285      1.00000
     41     -11.8208      1.00000
     42     -11.8110      1.00000
     43     -11.8016      1.00000
     44     -11.7265      1.00000
     45     -11.7259      1.00000
     46     -11.7050      1.00000
     47     -11.6946      1.00000
     48     -11.6939      1.00000
     49     -11.6810      1.00000
     50     -10.6388      1.00000
     51     -10.3690      1.00000
     52     -10.3679      1.00000
     53     -10.3396      1.00000
     54     -10.3315      1.00000
     55     -10.3168      1.00000
     56     -10.2977      1.00000
     57      -9.7868      1.00000
     58      -9.4138      1.00000
     59      -9.3909      1.00000
     60      -9.3524      1.00000
     61      -9.3419      1.00000
     62      -9.3345      1.00000
     63      -9.1696      1.00000
     64      -9.0834      1.00000
     65      -9.0793      1.00000
     66      -9.0646      1.00000
     67      -9.0543      1.00000
     68      -9.0362      1.00000
     69      -9.0307      1.00000
     70      -9.0246      1.00000
     71      -9.0151      1.00000
     72      -9.0049      1.00000
     73      -8.9891      1.00000
     74      -8.9816      1.00000
     75      -7.9892      1.00000
     76      -7.7001      1.00000
     77      -7.5111      1.00000
     78      -7.4883      1.00000
     79      -7.4730      1.00000
     80      -7.4054      1.00000
     81      -7.3920      1.00000
     82      -7.3815      1.00000
     83      -7.3390      1.00000
     84      -7.2248      1.00000
     85      -7.1859      1.00000
     86      -7.1750      1.00000
     87      -7.1743      1.00000
     88      -6.6226      1.00000
     89      -6.5738      1.00000
     90      -6.3615      1.00000
     91      -6.3547      1.00000
     92      -6.3154      1.00000
     93      -6.3024      1.00000
     94      -5.9196      1.00000
     95      -5.9171      1.00000
     96      -5.3667      1.00000
     97      -5.1918      1.00000
     98      -4.8328      1.00000
     99      -4.7172      1.00000
    100      -4.3615      1.00000
    101      -4.3577      1.00000
    102      -4.3511      1.00000
    103      -4.3232      1.00000
    104      -4.1684      1.00000
    105      -3.9449      1.00000
    106      -3.5928      1.00000
    107      -2.9187      0.00000
    108      -1.5623      0.00000
    109      -1.5539      0.00000
    110      -1.5451      0.00000
    111      -1.5344      0.00000
    112      -1.4711      0.00000
    113      -1.4605      0.00000
    114       0.0678      0.00000
    115       0.2432      0.00000
    116       0.2930      0.00000
    117       0.3005      0.00000
    118       0.3006      0.00000
    119       0.3657      0.00000
    120       0.6067      0.00000
    121       1.2643      0.00000
    122       1.3510      0.00000
    123       1.6877      0.00000
    124       1.7519      0.00000
    125       1.7733      0.00000
    126       1.7788      0.00000
    127       1.8477      0.00000
    128       1.8682      0.00000
    129       1.9971      0.00000
    130       2.0013      0.00000
    131       2.0092      0.00000
    132       2.0246      0.00000
    133       2.0253      0.00000
    134       2.0818      0.00000
    135       2.3020      0.00000
    136       2.4603      0.00000
    137       2.5712      0.00000
    138       2.5728      0.00000
    139       2.6049      0.00000
    140       2.7331      0.00000
    141       2.8181      0.00000
    142       3.0126      0.00000
    143       3.0203      0.00000
    144       3.0305      0.00000
    145       3.0362      0.00000
    146       3.0760      0.00000
    147       3.0994      0.00000
    148       3.4397      0.00000
    149       3.5391      0.00000
    150       3.5732      0.00000
    151       3.8889      0.00000
    152       3.8939      0.00000
    153       3.9306      0.00000
    154       3.9517      0.00000
    155       3.9762      0.00000
    156       4.0425      0.00000
    157       4.1563      0.00000
    158       4.1984      0.00000
    159       4.2378      0.00000
    160       4.2485      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3352      1.00000
      2     -21.7725      1.00000
      3     -21.5978      1.00000
      4     -21.5683      1.00000
      5     -21.2227      1.00000
      6     -21.1953      1.00000
      7     -21.0208      1.00000
      8     -20.1194      1.00000
      9     -20.0881      1.00000
     10     -19.5728      1.00000
     11     -19.5471      1.00000
     12     -19.3775      1.00000
     13     -19.0490      1.00000
     14     -19.0208      1.00000
     15     -19.0066      1.00000
     16     -18.9959      1.00000
     17     -18.3287      1.00000
     18     -18.3064      1.00000
     19     -17.9795      1.00000
     20     -17.0321      1.00000
     21     -16.9813      1.00000
     22     -16.9135      1.00000
     23     -16.9085      1.00000
     24     -16.4390      1.00000
     25     -16.4234      1.00000
     26     -15.5752      1.00000
     27     -15.5674      1.00000
     28     -15.2273      1.00000
     29     -15.1931      1.00000
     30     -15.1367      1.00000
     31     -15.0622      1.00000
     32     -15.0390      1.00000
     33     -14.6674      1.00000
     34     -14.6510      1.00000
     35     -13.7041      1.00000
     36     -13.6791      1.00000
     37     -13.2059      1.00000
     38     -12.5956      1.00000
     39     -12.5554      1.00000
     40     -12.4210      1.00000
     41     -12.4088      1.00000
     42     -12.1037      1.00000
     43     -12.0615      1.00000
     44     -11.6943      1.00000
     45     -11.6445      1.00000
     46     -11.2239      1.00000
     47     -11.2099      1.00000
     48     -11.0065      1.00000
     49     -10.9749      1.00000
     50     -10.8987      1.00000
     51     -10.8708      1.00000
     52     -10.5284      1.00000
     53     -10.1366      1.00000
     54     -10.1286      1.00000
     55     -10.0861      1.00000
     56      -9.9187      1.00000
     57      -9.6992      1.00000
     58      -9.6814      1.00000
     59      -9.6056      1.00000
     60      -9.5861      1.00000
     61      -9.5347      1.00000
     62      -9.4845      1.00000
     63      -9.3005      1.00000
     64      -9.2754      1.00000
     65      -9.2287      1.00000
     66      -9.1745      1.00000
     67      -9.1134      1.00000
     68      -9.0794      1.00000
     69      -9.0653      1.00000
     70      -8.9041      1.00000
     71      -8.8426      1.00000
     72      -8.5976      1.00000
     73      -8.5608      1.00000
     74      -8.1268      1.00000
     75      -8.0464      1.00000
     76      -7.9548      1.00000
     77      -7.8286      1.00000
     78      -7.7904      1.00000
     79      -7.7389      1.00000
     80      -7.6860      1.00000
     81      -7.3550      1.00000
     82      -7.3380      1.00000
     83      -7.3294      1.00000
     84      -7.2762      1.00000
     85      -7.0636      1.00000
     86      -6.9750      1.00000
     87      -6.8272      1.00000
     88      -6.7535      1.00000
     89      -6.6424      1.00000
     90      -6.5632      1.00000
     91      -6.1474      1.00000
     92      -6.1230      1.00000
     93      -6.0783      1.00000
     94      -5.9583      1.00000
     95      -5.7304      1.00000
     96      -5.4035      1.00000
     97      -5.2063      1.00000
     98      -4.9339      1.00000
     99      -4.7951      1.00000
    100      -4.6400      1.00000
    101      -4.5372      1.00000
    102      -4.4828      1.00000
    103      -4.3659      1.00000
    104      -4.0448      1.00000
    105      -3.8255      1.00000
    106      -3.5700      1.00000
    107      -2.9421      0.00000
    108      -1.7190      0.00000
    109      -1.6642      0.00000
    110      -1.3033      0.00000
    111      -1.2621      0.00000
    112      -1.2512      0.00000
    113      -1.2223      0.00000
    114      -0.5708      0.00000
    115      -0.1838      0.00000
    116      -0.1729      0.00000
    117       0.6247      0.00000
    118       0.6717      0.00000
    119       0.7340      0.00000
    120       0.9821      0.00000
    121       1.1128      0.00000
    122       1.2350      0.00000
    123       1.3314      0.00000
    124       1.4318      0.00000
    125       1.4894      0.00000
    126       1.7348      0.00000
    127       1.7518      0.00000
    128       1.7955      0.00000
    129       1.8559      0.00000
    130       1.9482      0.00000
    131       2.1600      0.00000
    132       2.2003      0.00000
    133       2.2393      0.00000
    134       2.4244      0.00000
    135       2.5077      0.00000
    136       2.5901      0.00000
    137       2.6801      0.00000
    138       2.6917      0.00000
    139       2.7616      0.00000
    140       2.7830      0.00000
    141       2.8323      0.00000
    142       2.8502      0.00000
    143       2.9771      0.00000
    144       3.0375      0.00000
    145       3.2490      0.00000
    146       3.3294      0.00000
    147       3.3526      0.00000
    148       3.4389      0.00000
    149       3.5118      0.00000
    150       3.5560      0.00000
    151       3.6378      0.00000
    152       3.7132      0.00000
    153       3.7487      0.00000
    154       3.9164      0.00000
    155       3.9453      0.00000
    156       4.0130      0.00000
    157       4.0585      0.00000
    158       4.1440      0.00000
    159       4.2563      0.00000
    160       4.2655      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2235      1.00000
      2     -22.0320      1.00000
      3     -21.6723      1.00000
      4     -21.6432      1.00000
      5     -20.9285      1.00000
      6     -20.8983      1.00000
      7     -20.5677      1.00000
      8     -20.5338      1.00000
      9     -20.5248      1.00000
     10     -19.9913      1.00000
     11     -19.4670      1.00000
     12     -19.4393      1.00000
     13     -19.2756      1.00000
     14     -19.2564      1.00000
     15     -18.4051      1.00000
     16     -18.3681      1.00000
     17     -17.8950      1.00000
     18     -17.8683      1.00000
     19     -17.7169      1.00000
     20     -17.6820      1.00000
     21     -17.4072      1.00000
     22     -17.3880      1.00000
     23     -17.3001      1.00000
     24     -16.4370      1.00000
     25     -16.4173      1.00000
     26     -15.9263      1.00000
     27     -15.3818      1.00000
     28     -15.3646      1.00000
     29     -15.0686      1.00000
     30     -15.0484      1.00000
     31     -14.8298      1.00000
     32     -14.7972      1.00000
     33     -14.2560      1.00000
     34     -14.2246      1.00000
     35     -13.4128      1.00000
     36     -13.3724      1.00000
     37     -13.1568      1.00000
     38     -13.1285      1.00000
     39     -12.9408      1.00000
     40     -12.9332      1.00000
     41     -12.5990      1.00000
     42     -12.5664      1.00000
     43     -12.1739      1.00000
     44     -11.5601      1.00000
     45     -11.5009      1.00000
     46     -11.2940      1.00000
     47     -11.2503      1.00000
     48     -11.1253      1.00000
     49     -10.6788      1.00000
     50     -10.6412      1.00000
     51     -10.4484      1.00000
     52     -10.2929      1.00000
     53     -10.2732      1.00000
     54     -10.1573      1.00000
     55     -10.0914      1.00000
     56     -10.0690      1.00000
     57      -9.7895      1.00000
     58      -9.7467      1.00000
     59      -9.6975      1.00000
     60      -9.6756      1.00000
     61      -9.6628      1.00000
     62      -9.5999      1.00000
     63      -9.3414      1.00000
     64      -9.3257      1.00000
     65      -9.2855      1.00000
     66      -9.0214      1.00000
     67      -8.9443      1.00000
     68      -8.8346      1.00000
     69      -8.7624      1.00000
     70      -8.5878      1.00000
     71      -8.4927      1.00000
     72      -8.3709      1.00000
     73      -8.3634      1.00000
     74      -8.3015      1.00000
     75      -8.2480      1.00000
     76      -8.2342      1.00000
     77      -8.2136      1.00000
     78      -8.1922      1.00000
     79      -7.8751      1.00000
     80      -7.7432      1.00000
     81      -7.3798      1.00000
     82      -7.3298      1.00000
     83      -7.3052      1.00000
     84      -7.2122      1.00000
     85      -7.1863      1.00000
     86      -6.9542      1.00000
     87      -6.9332      1.00000
     88      -6.5875      1.00000
     89      -6.5479      1.00000
     90      -6.2571      1.00000
     91      -6.2032      1.00000
     92      -5.9767      1.00000
     93      -5.8181      1.00000
     94      -5.6659      1.00000
     95      -5.5132      1.00000
     96      -5.3353      1.00000
     97      -5.2978      1.00000
     98      -5.1971      1.00000
     99      -5.1810      1.00000
    100      -5.1046      1.00000
    101      -4.6971      1.00000
    102      -4.5482      1.00000
    103      -4.4508      1.00000
    104      -3.9191      1.00000
    105      -3.7132      1.00000
    106      -3.5364      1.00000
    107      -2.9672      0.00000
    108      -1.8114      0.00000
    109      -1.7539      0.00000
    110      -1.0989      0.00000
    111      -0.9610      0.00000
    112      -0.9465      0.00000
    113      -0.6574      0.00000
    114      -0.5900      0.00000
    115      -0.5768      0.00000
    116      -0.5406      0.00000
    117       0.1718      0.00000
    118       0.2485      0.00000
    119       0.7822      0.00000
    120       1.0008      0.00000
    121       1.1151      0.00000
    122       1.1701      0.00000
    123       1.3542      0.00000
    124       1.4756      0.00000
    125       1.5911      0.00000
    126       1.5990      0.00000
    127       1.6680      0.00000
    128       1.8896      0.00000
    129       1.9355      0.00000
    130       2.0168      0.00000
    131       2.1699      0.00000
    132       2.3350      0.00000
    133       2.3839      0.00000
    134       2.4008      0.00000
    135       2.5944      0.00000
    136       2.6771      0.00000
    137       2.7179      0.00000
    138       2.7631      0.00000
    139       2.8251      0.00000
    140       2.9961      0.00000
    141       3.0434      0.00000
    142       3.0694      0.00000
    143       3.1307      0.00000
    144       3.2463      0.00000
    145       3.3213      0.00000
    146       3.3677      0.00000
    147       3.4377      0.00000
    148       3.5316      0.00000
    149       3.5663      0.00000
    150       3.5952      0.00000
    151       3.6591      0.00000
    152       3.6906      0.00000
    153       3.7426      0.00000
    154       3.7663      0.00000
    155       3.7804      0.00000
    156       3.9143      0.00000
    157       3.9177      0.00000
    158       4.0168      0.00000
    159       4.2079      0.00000
    160       4.2776      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2605      1.00000
      2     -21.8892      1.00000
      3     -21.8762      1.00000
      4     -21.3274      1.00000
      5     -21.3169      1.00000
      6     -20.7712      1.00000
      7     -20.7562      1.00000
      8     -20.5786      1.00000
      9     -20.0327      1.00000
     10     -20.0288      1.00000
     11     -19.6711      1.00000
     12     -19.6582      1.00000
     13     -18.9504      1.00000
     14     -18.9492      1.00000
     15     -18.5976      1.00000
     16     -18.5961      1.00000
     17     -18.4162      1.00000
     18     -17.6390      1.00000
     19     -17.5849      1.00000
     20     -17.5620      1.00000
     21     -17.5565      1.00000
     22     -17.0762      1.00000
     23     -17.0739      1.00000
     24     -16.9372      1.00000
     25     -15.9715      1.00000
     26     -15.8851      1.00000
     27     -15.5560      1.00000
     28     -15.5376      1.00000
     29     -15.2466      1.00000
     30     -14.8273      1.00000
     31     -14.8036      1.00000
     32     -14.5399      1.00000
     33     -14.5086      1.00000
     34     -14.1255      1.00000
     35     -14.1210      1.00000
     36     -13.1239      1.00000
     37     -13.0482      1.00000
     38     -13.0166      1.00000
     39     -12.9872      1.00000
     40     -12.6784      1.00000
     41     -12.6775      1.00000
     42     -12.2910      1.00000
     43     -12.2841      1.00000
     44     -11.6419      1.00000
     45     -11.5914      1.00000
     46     -11.5246      1.00000
     47     -10.9369      1.00000
     48     -10.8865      1.00000
     49     -10.6408      1.00000
     50     -10.6059      1.00000
     51     -10.4792      1.00000
     52     -10.4691      1.00000
     53     -10.4281      1.00000
     54     -10.4057      1.00000
     55     -10.3207      1.00000
     56     -10.0400      1.00000
     57      -9.8766      1.00000
     58      -9.5931      1.00000
     59      -9.5289      1.00000
     60      -9.5003      1.00000
     61      -9.3788      1.00000
     62      -9.3766      1.00000
     63      -9.3530      1.00000
     64      -9.2949      1.00000
     65      -9.2440      1.00000
     66      -9.1598      1.00000
     67      -9.1147      1.00000
     68      -9.0631      1.00000
     69      -8.8428      1.00000
     70      -8.8231      1.00000
     71      -8.6777      1.00000
     72      -8.5728      1.00000
     73      -8.4174      1.00000
     74      -8.1932      1.00000
     75      -8.1437      1.00000
     76      -7.9769      1.00000
     77      -7.8933      1.00000
     78      -7.8290      1.00000
     79      -7.8084      1.00000
     80      -7.7648      1.00000
     81      -7.6822      1.00000
     82      -7.6232      1.00000
     83      -7.4085      1.00000
     84      -7.3499      1.00000
     85      -6.9027      1.00000
     86      -6.8884      1.00000
     87      -6.7366      1.00000
     88      -6.6461      1.00000
     89      -6.4295      1.00000
     90      -6.3462      1.00000
     91      -6.2889      1.00000
     92      -6.1670      1.00000
     93      -5.9656      1.00000
     94      -5.5741      1.00000
     95      -5.4833      1.00000
     96      -5.4074      1.00000
     97      -5.3643      1.00000
     98      -5.1843      1.00000
     99      -5.1038      1.00000
    100      -4.7648      1.00000
    101      -4.7011      1.00000
    102      -4.5720      1.00000
    103      -4.4193      1.00000
    104      -4.2039      1.00000
    105      -3.5534      1.00000
    106      -3.4139      1.00000
    107      -3.0452      0.00000
    108      -2.0854      0.00000
    109      -1.2235      0.00000
    110      -1.2034      0.00000
    111      -1.1747      0.00000
    112      -0.9457      0.00000
    113      -0.8465      0.00000
    114      -0.7993      0.00000
    115      -0.7161      0.00000
    116       0.2063      0.00000
    117       0.2147      0.00000
    118       0.2953      0.00000
    119       0.7607      0.00000
    120       0.8206      0.00000
    121       0.9147      0.00000
    122       1.1117      0.00000
    123       1.3252      0.00000
    124       1.5016      0.00000
    125       1.5652      0.00000
    126       1.8043      0.00000
    127       1.8286      0.00000
    128       1.8615      0.00000
    129       1.9573      0.00000
    130       1.9599      0.00000
    131       2.2446      0.00000
    132       2.3855      0.00000
    133       2.4048      0.00000
    134       2.4188      0.00000
    135       2.5562      0.00000
    136       2.5780      0.00000
    137       2.6310      0.00000
    138       2.7059      0.00000
    139       2.7340      0.00000
    140       2.9537      0.00000
    141       3.0441      0.00000
    142       3.1213      0.00000
    143       3.1696      0.00000
    144       3.2029      0.00000
    145       3.2154      0.00000
    146       3.3033      0.00000
    147       3.3174      0.00000
    148       3.4975      0.00000
    149       3.5051      0.00000
    150       3.6223      0.00000
    151       3.6782      0.00000
    152       3.6914      0.00000
    153       3.7870      0.00000
    154       3.9191      0.00000
    155       3.9627      0.00000
    156       3.9665      0.00000
    157       3.9866      0.00000
    158       3.9960      0.00000
    159       4.0459      0.00000
    160       4.1500      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1288      1.00000
      2     -22.0899      1.00000
      3     -21.9190      1.00000
      4     -21.3597      1.00000
      5     -21.0044      1.00000
      6     -20.9690      1.00000
      7     -20.4529      1.00000
      8     -20.4155      1.00000
      9     -20.2610      1.00000
     10     -20.2317      1.00000
     11     -19.9019      1.00000
     12     -19.8641      1.00000
     13     -18.8294      1.00000
     14     -18.7862      1.00000
     15     -18.3097      1.00000
     16     -18.2615      1.00000
     17     -18.1219      1.00000
     18     -18.0940      1.00000
     19     -17.7838      1.00000
     20     -17.7469      1.00000
     21     -17.2232      1.00000
     22     -17.2036      1.00000
     23     -17.1258      1.00000
     24     -17.0966      1.00000
     25     -16.0682      1.00000
     26     -15.8490      1.00000
     27     -15.8288      1.00000
     28     -15.7946      1.00000
     29     -15.2018      1.00000
     30     -14.5278      1.00000
     31     -14.4869      1.00000
     32     -14.2460      1.00000
     33     -13.9332      1.00000
     34     -13.9232      1.00000
     35     -13.7901      1.00000
     36     -13.7774      1.00000
     37     -13.5784      1.00000
     38     -13.5320      1.00000
     39     -13.3265      1.00000
     40     -12.5923      1.00000
     41     -12.1707      1.00000
     42     -12.0991      1.00000
     43     -12.0285      1.00000
     44     -11.9901      1.00000
     45     -11.6600      1.00000
     46     -11.6265      1.00000
     47     -11.1380      1.00000
     48     -11.0853      1.00000
     49     -10.7773      1.00000
     50     -10.7037      1.00000
     51     -10.4033      1.00000
     52     -10.1975      1.00000
     53     -10.1652      1.00000
     54     -10.1280      1.00000
     55      -9.9962      1.00000
     56      -9.9871      1.00000
     57      -9.9432      1.00000
     58      -9.7928      1.00000
     59      -9.7758      1.00000
     60      -9.7456      1.00000
     61      -9.7268      1.00000
     62      -9.4369      1.00000
     63      -9.3359      1.00000
     64      -9.0866      1.00000
     65      -9.0535      1.00000
     66      -9.0006      1.00000
     67      -8.8880      1.00000
     68      -8.8250      1.00000
     69      -8.7068      1.00000
     70      -8.6692      1.00000
     71      -8.5618      1.00000
     72      -8.5047      1.00000
     73      -8.4614      1.00000
     74      -8.4451      1.00000
     75      -8.3316      1.00000
     76      -8.1969      1.00000
     77      -8.0640      1.00000
     78      -7.9797      1.00000
     79      -7.9098      1.00000
     80      -7.8926      1.00000
     81      -7.6972      1.00000
     82      -7.5622      1.00000
     83      -7.4857      1.00000
     84      -6.9878      1.00000
     85      -6.9222      1.00000
     86      -6.8737      1.00000
     87      -6.7419      1.00000
     88      -6.5176      1.00000
     89      -6.4587      1.00000
     90      -6.3808      1.00000
     91      -6.1928      1.00000
     92      -5.9268      1.00000
     93      -5.8003      1.00000
     94      -5.7427      1.00000
     95      -5.5617      1.00000
     96      -5.3734      1.00000
     97      -5.2449      1.00000
     98      -5.1950      1.00000
     99      -5.1734      1.00000
    100      -5.1200      1.00000
    101      -4.8169      1.00000
    102      -4.5403      1.00000
    103      -4.4566      1.00000
    104      -4.2495      1.00000
    105      -3.5548      1.00000
    106      -3.2885      1.00000
    107      -2.9476      0.00000
    108      -2.3357      0.00000
    109      -1.1950      0.00000
    110      -1.1583      0.00000
    111      -1.0971      0.00000
    112      -1.0682      0.00000
    113      -0.5108      0.00000
    114      -0.4604      0.00000
    115      -0.2965      0.00000
    116      -0.2725      0.00000
    117      -0.0084      0.00000
    118       0.0287      0.00000
    119       0.5364      0.00000
    120       0.6475      0.00000
    121       0.8754      0.00000
    122       0.9725      0.00000
    123       1.1874      0.00000
    124       1.5238      0.00000
    125       1.7435      0.00000
    126       1.7671      0.00000
    127       2.0046      0.00000
    128       2.0906      0.00000
    129       2.1257      0.00000
    130       2.1415      0.00000
    131       2.2545      0.00000
    132       2.3037      0.00000
    133       2.3469      0.00000
    134       2.4560      0.00000
    135       2.6646      0.00000
    136       2.7557      0.00000
    137       2.7916      0.00000
    138       2.8759      0.00000
    139       2.9460      0.00000
    140       2.9870      0.00000
    141       3.0414      0.00000
    142       3.1000      0.00000
    143       3.1525      0.00000
    144       3.2264      0.00000
    145       3.2541      0.00000
    146       3.2877      0.00000
    147       3.3183      0.00000
    148       3.3447      0.00000
    149       3.3752      0.00000
    150       3.5199      0.00000
    151       3.5817      0.00000
    152       3.6480      0.00000
    153       3.6764      0.00000
    154       3.7023      0.00000
    155       3.7208      0.00000
    156       3.7851      0.00000
    157       3.9521      0.00000
    158       4.0473      0.00000
    159       4.1109      0.00000
    160       4.2438      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2602      1.00000
      2     -21.9018      1.00000
      3     -21.8637      1.00000
      4     -21.3387      1.00000
      5     -21.3036      1.00000
      6     -20.7838      1.00000
      7     -20.7457      1.00000
      8     -20.5797      1.00000
      9     -20.0475      1.00000
     10     -20.0125      1.00000
     11     -19.6816      1.00000
     12     -19.6474      1.00000
     13     -18.9686      1.00000
     14     -18.9318      1.00000
     15     -18.6112      1.00000
     16     -18.5756      1.00000
     17     -18.4202      1.00000
     18     -17.6332      1.00000
     19     -17.5952      1.00000
     20     -17.5678      1.00000
     21     -17.5517      1.00000
     22     -17.0973      1.00000
     23     -17.0574      1.00000
     24     -16.9312      1.00000
     25     -15.9735      1.00000
     26     -15.8810      1.00000
     27     -15.5638      1.00000
     28     -15.5280      1.00000
     29     -15.2447      1.00000
     30     -14.8439      1.00000
     31     -14.7896      1.00000
     32     -14.5372      1.00000
     33     -14.5063      1.00000
     34     -14.1318      1.00000
     35     -14.1228      1.00000
     36     -13.1470      1.00000
     37     -13.0471      1.00000
     38     -12.9991      1.00000
     39     -12.9789      1.00000
     40     -12.6985      1.00000
     41     -12.6551      1.00000
     42     -12.2898      1.00000
     43     -12.2871      1.00000
     44     -11.6217      1.00000
     45     -11.5952      1.00000
     46     -11.5363      1.00000
     47     -10.9242      1.00000
     48     -10.9024      1.00000
     49     -10.7087      1.00000
     50     -10.5629      1.00000
     51     -10.5318      1.00000
     52     -10.4711      1.00000
     53     -10.4174      1.00000
     54     -10.3635      1.00000
     55     -10.3135      1.00000
     56     -10.0342      1.00000
     57      -9.8710      1.00000
     58      -9.5993      1.00000
     59      -9.5208      1.00000
     60      -9.4504      1.00000
     61      -9.4105      1.00000
     62      -9.3687      1.00000
     63      -9.3440      1.00000
     64      -9.2921      1.00000
     65      -9.2478      1.00000
     66      -9.1399      1.00000
     67      -9.1012      1.00000
     68      -9.0797      1.00000
     69      -8.8519      1.00000
     70      -8.8370      1.00000
     71      -8.7041      1.00000
     72      -8.5618      1.00000
     73      -8.4399      1.00000
     74      -8.1958      1.00000
     75      -8.1812      1.00000
     76      -8.0365      1.00000
     77      -7.8701      1.00000
     78      -7.8070      1.00000
     79      -7.7562      1.00000
     80      -7.7187      1.00000
     81      -7.6773      1.00000
     82      -7.6429      1.00000
     83      -7.4492      1.00000
     84      -7.3084      1.00000
     85      -6.9132      1.00000
     86      -6.9029      1.00000
     87      -6.7722      1.00000
     88      -6.5541      1.00000
     89      -6.3772      1.00000
     90      -6.3254      1.00000
     91      -6.2777      1.00000
     92      -6.1751      1.00000
     93      -6.0729      1.00000
     94      -5.7892      1.00000
     95      -5.5299      1.00000
     96      -5.3628      1.00000
     97      -5.2076      1.00000
     98      -5.1782      1.00000
     99      -5.0265      1.00000
    100      -4.8197      1.00000
    101      -4.6599      1.00000
    102      -4.4920      1.00000
    103      -4.4295      1.00000
    104      -4.2429      1.00000
    105      -3.6234      1.00000
    106      -3.5454      1.00000
    107      -2.8450      0.00000
    108      -2.1462      0.00000
    109      -1.2589      0.00000
    110      -1.1971      0.00000
    111      -1.1737      0.00000
    112      -0.8821      0.00000
    113      -0.8617      0.00000
    114      -0.7814      0.00000
    115      -0.7464      0.00000
    116       0.1371      0.00000
    117       0.2368      0.00000
    118       0.3206      0.00000
    119       0.7125      0.00000
    120       0.8552      0.00000
    121       0.9353      0.00000
    122       1.1618      0.00000
    123       1.2534      0.00000
    124       1.5174      0.00000
    125       1.5588      0.00000
    126       1.7987      0.00000
    127       1.8733      0.00000
    128       1.8810      0.00000
    129       1.9534      0.00000
    130       2.0403      0.00000
    131       2.2118      0.00000
    132       2.3227      0.00000
    133       2.4037      0.00000
    134       2.4322      0.00000
    135       2.5695      0.00000
    136       2.6067      0.00000
    137       2.6594      0.00000
    138       2.7102      0.00000
    139       2.7424      0.00000
    140       2.8788      0.00000
    141       3.0279      0.00000
    142       3.1246      0.00000
    143       3.1816      0.00000
    144       3.2011      0.00000
    145       3.2304      0.00000
    146       3.2686      0.00000
    147       3.3100      0.00000
    148       3.4352      0.00000
    149       3.5197      0.00000
    150       3.6001      0.00000
    151       3.6827      0.00000
    152       3.6958      0.00000
    153       3.8491      0.00000
    154       3.9043      0.00000
    155       3.9163      0.00000
    156       3.9512      0.00000
    157       3.9873      0.00000
    158       3.9983      0.00000
    159       4.0681      0.00000
    160       4.1520      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3351      1.00000
      2     -21.7749      1.00000
      3     -21.5933      1.00000
      4     -21.5690      1.00000
      5     -21.2244      1.00000
      6     -21.1954      1.00000
      7     -21.0205      1.00000
      8     -20.1203      1.00000
      9     -20.0892      1.00000
     10     -19.5747      1.00000
     11     -19.5426      1.00000
     12     -19.3756      1.00000
     13     -19.0600      1.00000
     14     -19.0210      1.00000
     15     -19.0049      1.00000
     16     -18.9882      1.00000
     17     -18.3319      1.00000
     18     -18.3028      1.00000
     19     -17.9800      1.00000
     20     -17.0291      1.00000
     21     -16.9912      1.00000
     22     -16.9236      1.00000
     23     -16.8964      1.00000
     24     -16.4472      1.00000
     25     -16.4112      1.00000
     26     -15.5832      1.00000
     27     -15.5545      1.00000
     28     -15.2181      1.00000
     29     -15.1976      1.00000
     30     -15.1546      1.00000
     31     -15.0710      1.00000
     32     -15.0184      1.00000
     33     -14.6746      1.00000
     34     -14.6467      1.00000
     35     -13.7101      1.00000
     36     -13.6764      1.00000
     37     -13.2016      1.00000
     38     -12.6284      1.00000
     39     -12.5307      1.00000
     40     -12.4214      1.00000
     41     -12.3999      1.00000
     42     -12.0910      1.00000
     43     -12.0679      1.00000
     44     -11.6854      1.00000
     45     -11.6528      1.00000
     46     -11.2788      1.00000
     47     -11.1801      1.00000
     48     -10.9938      1.00000
     49     -10.9637      1.00000
     50     -10.9002      1.00000
     51     -10.8673      1.00000
     52     -10.5607      1.00000
     53     -10.1974      1.00000
     54     -10.1013      1.00000
     55     -10.0478      1.00000
     56      -9.8879      1.00000
     57      -9.6715      1.00000
     58      -9.6700      1.00000
     59      -9.6281      1.00000
     60      -9.6037      1.00000
     61      -9.5341      1.00000
     62      -9.4762      1.00000
     63      -9.3116      1.00000
     64      -9.2637      1.00000
     65      -9.2279      1.00000
     66      -9.1931      1.00000
     67      -9.0925      1.00000
     68      -9.0904      1.00000
     69      -9.0666      1.00000
     70      -8.9061      1.00000
     71      -8.8465      1.00000
     72      -8.5837      1.00000
     73      -8.5764      1.00000
     74      -8.1620      1.00000
     75      -8.0121      1.00000
     76      -7.9447      1.00000
     77      -7.8929      1.00000
     78      -7.7827      1.00000
     79      -7.7247      1.00000
     80      -7.7128      1.00000
     81      -7.3968      1.00000
     82      -7.2698      1.00000
     83      -7.2328      1.00000
     84      -7.2175      1.00000
     85      -7.1595      1.00000
     86      -6.9850      1.00000
     87      -6.8563      1.00000
     88      -6.6932      1.00000
     89      -6.6585      1.00000
     90      -6.5910      1.00000
     91      -6.1516      1.00000
     92      -6.0865      1.00000
     93      -6.0712      1.00000
     94      -5.9192      1.00000
     95      -5.8872      1.00000
     96      -5.3828      1.00000
     97      -5.1900      1.00000
     98      -4.8701      1.00000
     99      -4.8555      1.00000
    100      -4.6546      1.00000
    101      -4.5210      1.00000
    102      -4.3916      1.00000
    103      -4.2674      1.00000
    104      -4.0630      1.00000
    105      -4.0276      1.00000
    106      -3.5643      1.00000
    107      -2.8645      0.00000
    108      -1.7184      0.00000
    109      -1.7159      0.00000
    110      -1.3170      0.00000
    111      -1.2577      0.00000
    112      -1.2268      0.00000
    113      -1.2104      0.00000
    114      -0.5493      0.00000
    115      -0.2632      0.00000
    116      -0.1216      0.00000
    117       0.5770      0.00000
    118       0.6659      0.00000
    119       0.8005      0.00000
    120       0.9618      0.00000
    121       1.1464      0.00000
    122       1.2099      0.00000
    123       1.2802      0.00000
    124       1.4414      0.00000
    125       1.6097      0.00000
    126       1.6801      0.00000
    127       1.7608      0.00000
    128       1.7651      0.00000
    129       1.9011      0.00000
    130       1.9271      0.00000
    131       2.1800      0.00000
    132       2.1883      0.00000
    133       2.2253      0.00000
    134       2.4711      0.00000
    135       2.4843      0.00000
    136       2.5688      0.00000
    137       2.6227      0.00000
    138       2.7080      0.00000
    139       2.7858      0.00000
    140       2.8106      0.00000
    141       2.8642      0.00000
    142       2.9410      0.00000
    143       2.9670      0.00000
    144       3.0053      0.00000
    145       3.1238      0.00000
    146       3.3318      0.00000
    147       3.3627      0.00000
    148       3.4068      0.00000
    149       3.5614      0.00000
    150       3.5957      0.00000
    151       3.6318      0.00000
    152       3.6592      0.00000
    153       3.7720      0.00000
    154       3.7821      0.00000
    155       3.9904      0.00000
    156       4.0239      0.00000
    157       4.0302      0.00000
    158       4.1031      0.00000
    159       4.2249      0.00000
    160       4.3470      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1189      1.00000
      2     -22.1020      1.00000
      3     -21.9166      1.00000
      4     -21.3590      1.00000
      5     -20.9924      1.00000
      6     -20.9821      1.00000
      7     -20.4404      1.00000
      8     -20.4283      1.00000
      9     -20.2499      1.00000
     10     -20.2468      1.00000
     11     -19.8881      1.00000
     12     -19.8735      1.00000
     13     -18.8206      1.00000
     14     -18.7937      1.00000
     15     -18.2876      1.00000
     16     -18.2813      1.00000
     17     -18.1119      1.00000
     18     -18.1069      1.00000
     19     -17.7693      1.00000
     20     -17.7642      1.00000
     21     -17.2246      1.00000
     22     -17.1979      1.00000
     23     -17.1319      1.00000
     24     -17.0943      1.00000
     25     -16.0733      1.00000
     26     -15.8402      1.00000
     27     -15.8276      1.00000
     28     -15.7949      1.00000
     29     -15.2019      1.00000
     30     -14.5129      1.00000
     31     -14.5004      1.00000
     32     -14.2480      1.00000
     33     -13.9548      1.00000
     34     -13.9176      1.00000
     35     -13.7809      1.00000
     36     -13.7674      1.00000
     37     -13.5686      1.00000
     38     -13.5484      1.00000
     39     -13.3258      1.00000
     40     -12.5977      1.00000
     41     -12.1388      1.00000
     42     -12.1264      1.00000
     43     -12.0173      1.00000
     44     -11.9992      1.00000
     45     -11.6435      1.00000
     46     -11.6297      1.00000
     47     -11.1383      1.00000
     48     -11.1033      1.00000
     49     -10.7681      1.00000
     50     -10.7096      1.00000
     51     -10.4424      1.00000
     52     -10.1733      1.00000
     53     -10.1647      1.00000
     54     -10.1497      1.00000
     55      -9.9998      1.00000
     56      -9.9571      1.00000
     57      -9.9340      1.00000
     58      -9.8083      1.00000
     59      -9.7635      1.00000
     60      -9.7370      1.00000
     61      -9.7251      1.00000
     62      -9.4389      1.00000
     63      -9.3304      1.00000
     64      -9.0726      1.00000
     65      -9.0352      1.00000
     66      -8.9842      1.00000
     67      -8.9395      1.00000
     68      -8.8086      1.00000
     69      -8.6844      1.00000
     70      -8.6684      1.00000
     71      -8.5558      1.00000
     72      -8.5262      1.00000
     73      -8.4517      1.00000
     74      -8.4464      1.00000
     75      -8.2990      1.00000
     76      -8.2339      1.00000
     77      -8.1076      1.00000
     78      -8.0537      1.00000
     79      -8.0204      1.00000
     80      -7.7746      1.00000
     81      -7.6045      1.00000
     82      -7.5909      1.00000
     83      -7.4801      1.00000
     84      -6.9846      1.00000
     85      -6.9321      1.00000
     86      -6.8381      1.00000
     87      -6.5774      1.00000
     88      -6.5578      1.00000
     89      -6.4605      1.00000
     90      -6.4178      1.00000
     91      -6.3301      1.00000
     92      -5.9875      1.00000
     93      -5.7720      1.00000
     94      -5.7294      1.00000
     95      -5.5674      1.00000
     96      -5.3801      1.00000
     97      -5.2204      1.00000
     98      -5.1980      1.00000
     99      -5.1761      1.00000
    100      -5.1494      1.00000
    101      -4.6394      1.00000
    102      -4.5036      1.00000
    103      -4.4395      1.00000
    104      -4.3874      1.00000
    105      -3.5695      1.00000
    106      -3.4206      1.00000
    107      -2.7282      0.00000
    108      -2.4270      0.00000
    109      -1.1807      0.00000
    110      -1.1613      0.00000
    111      -1.1345      0.00000
    112      -1.0635      0.00000
    113      -0.4800      0.00000
    114      -0.4697      0.00000
    115      -0.3279      0.00000
    116      -0.2507      0.00000
    117       0.0176      0.00000
    118       0.0199      0.00000
    119       0.5117      0.00000
    120       0.6516      0.00000
    121       0.8099      0.00000
    122       1.0051      0.00000
    123       1.2380      0.00000
    124       1.4842      0.00000
    125       1.7588      0.00000
    126       1.9432      0.00000
    127       1.9510      0.00000
    128       2.0194      0.00000
    129       2.0720      0.00000
    130       2.1726      0.00000
    131       2.2785      0.00000
    132       2.2852      0.00000
    133       2.3442      0.00000
    134       2.5523      0.00000
    135       2.6339      0.00000
    136       2.6775      0.00000
    137       2.8497      0.00000
    138       2.8900      0.00000
    139       2.9579      0.00000
    140       2.9646      0.00000
    141       3.1138      0.00000
    142       3.1365      0.00000
    143       3.1428      0.00000
    144       3.1779      0.00000
    145       3.2390      0.00000
    146       3.2443      0.00000
    147       3.3277      0.00000
    148       3.3561      0.00000
    149       3.3723      0.00000
    150       3.4036      0.00000
    151       3.5058      0.00000
    152       3.6176      0.00000
    153       3.6673      0.00000
    154       3.6709      0.00000
    155       3.8288      0.00000
    156       3.9043      0.00000
    157       3.9625      0.00000
    158       3.9852      0.00000
    159       4.1018      0.00000
    160       4.1943      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2226      1.00000
      2     -22.0347      1.00000
      3     -21.6690      1.00000
      4     -21.6437      1.00000
      5     -20.9286      1.00000
      6     -20.8988      1.00000
      7     -20.5593      1.00000
      8     -20.5403      1.00000
      9     -20.5289      1.00000
     10     -19.9936      1.00000
     11     -19.4644      1.00000
     12     -19.4341      1.00000
     13     -19.2794      1.00000
     14     -19.2540      1.00000
     15     -18.4023      1.00000
     16     -18.3712      1.00000
     17     -17.8957      1.00000
     18     -17.8652      1.00000
     19     -17.7187      1.00000
     20     -17.6858      1.00000
     21     -17.4102      1.00000
     22     -17.3809      1.00000
     23     -17.3075      1.00000
     24     -16.4471      1.00000
     25     -16.4068      1.00000
     26     -15.9225      1.00000
     27     -15.3842      1.00000
     28     -15.3554      1.00000
     29     -15.0720      1.00000
     30     -15.0411      1.00000
     31     -14.8270      1.00000
     32     -14.8080      1.00000
     33     -14.2756      1.00000
     34     -14.2066      1.00000
     35     -13.4325      1.00000
     36     -13.3525      1.00000
     37     -13.1605      1.00000
     38     -13.1275      1.00000
     39     -12.9526      1.00000
     40     -12.9225      1.00000
     41     -12.5978      1.00000
     42     -12.5691      1.00000
     43     -12.1668      1.00000
     44     -11.5439      1.00000
     45     -11.5074      1.00000
     46     -11.2838      1.00000
     47     -11.2545      1.00000
     48     -11.1220      1.00000
     49     -10.7610      1.00000
     50     -10.6243      1.00000
     51     -10.4479      1.00000
     52     -10.2803      1.00000
     53     -10.2742      1.00000
     54     -10.1663      1.00000
     55     -10.0904      1.00000
     56     -10.0555      1.00000
     57      -9.8027      1.00000
     58      -9.6959      1.00000
     59      -9.6885      1.00000
     60      -9.6817      1.00000
     61      -9.6643      1.00000
     62      -9.6035      1.00000
     63      -9.3395      1.00000
     64      -9.3121      1.00000
     65      -9.2922      1.00000
     66      -8.9722      1.00000
     67      -8.9350      1.00000
     68      -8.8799      1.00000
     69      -8.7490      1.00000
     70      -8.5693      1.00000
     71      -8.4859      1.00000
     72      -8.4051      1.00000
     73      -8.3677      1.00000
     74      -8.2882      1.00000
     75      -8.2447      1.00000
     76      -8.2430      1.00000
     77      -8.2256      1.00000
     78      -8.2037      1.00000
     79      -7.9961      1.00000
     80      -7.7830      1.00000
     81      -7.4013      1.00000
     82      -7.2964      1.00000
     83      -7.2185      1.00000
     84      -7.1289      1.00000
     85      -7.0917      1.00000
     86      -6.9508      1.00000
     87      -6.9048      1.00000
     88      -6.6073      1.00000
     89      -6.5376      1.00000
     90      -6.4351      1.00000
     91      -6.2727      1.00000
     92      -5.9113      1.00000
     93      -5.8239      1.00000
     94      -5.6749      1.00000
     95      -5.5797      1.00000
     96      -5.3076      1.00000
     97      -5.2676      1.00000
     98      -5.1849      1.00000
     99      -5.1847      1.00000
    100      -5.1568      1.00000
    101      -4.5210      1.00000
    102      -4.4553      1.00000
    103      -4.4008      1.00000
    104      -4.0665      1.00000
    105      -3.9142      1.00000
    106      -3.5162      1.00000
    107      -2.8134      0.00000
    108      -1.8244      0.00000
    109      -1.8091      0.00000
    110      -1.0559      0.00000
    111      -1.0191      0.00000
    112      -0.9356      0.00000
    113      -0.6625      0.00000
    114      -0.5926      0.00000
    115      -0.5587      0.00000
    116      -0.5342      0.00000
    117       0.1695      0.00000
    118       0.2719      0.00000
    119       0.7023      0.00000
    120       0.9707      0.00000
    121       1.0861      0.00000
    122       1.2475      0.00000
    123       1.4139      0.00000
    124       1.5269      0.00000
    125       1.5954      0.00000
    126       1.6094      0.00000
    127       1.6385      0.00000
    128       1.8331      0.00000
    129       1.9275      0.00000
    130       2.1059      0.00000
    131       2.1840      0.00000
    132       2.3280      0.00000
    133       2.3738      0.00000
    134       2.4626      0.00000
    135       2.5957      0.00000
    136       2.6575      0.00000
    137       2.7181      0.00000
    138       2.7327      0.00000
    139       2.8379      0.00000
    140       2.9390      0.00000
    141       3.0422      0.00000
    142       3.0667      0.00000
    143       3.1842      0.00000
    144       3.2778      0.00000
    145       3.3259      0.00000
    146       3.3283      0.00000
    147       3.4525      0.00000
    148       3.5231      0.00000
    149       3.5619      0.00000
    150       3.6026      0.00000
    151       3.6131      0.00000
    152       3.6834      0.00000
    153       3.7257      0.00000
    154       3.7536      0.00000
    155       3.7547      0.00000
    156       3.8330      0.00000
    157       3.9150      0.00000
    158       3.9900      0.00000
    159       4.0179      0.00000
    160       4.2535      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0446   -6.8607    2.8560   -0.4763   -0.0167   17.0845    0.1053   -0.0771    0.1206   -0.2131
x    -3.1488   -0.0332   -0.0584    0.0254    0.0323   -3.0194    0.0202   -0.0016   -0.0001   -0.0001
x    -0.0911   -0.0013    0.0020   -0.0017    0.0008   -0.0241    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0446    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0010    0.0005    0.0033   -0.1025   -0.0414    0.0699    0.0110
y     0.0441   -3.2526   -0.0973    0.2032   -2.4424   -0.6643
z   204.0446    1.9868    0.0131   -0.0681    0.0180    0.0804   -0.0027   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0614    0.0083    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8183
z    -0.5118    0.0403    0.0749    0.1447   -0.1017   -0.0018
 total charge-density along one line
x   212.0000   -9.6874    4.7901   -1.2789   -0.2519   19.0209   -1.1175    1.0491   -0.6826    0.2202
x    -2.7447   -0.0175   -0.0410    0.0179    0.0333   -2.3046    0.0196    0.0020   -0.0031   -0.0009
x    -0.0803    0.0010   -0.0020    0.0004    0.0010   -0.0375    0.0003    0.0005   -0.0003   -0.0004
x    -0.0052    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6874    4.7901   -1.2789   -0.2519   19.0209   -1.1175    1.0491   -0.6826    0.2202
y    -2.7447   -0.0175   -0.0410    0.0179    0.0333   -2.3046    0.0196    0.0020   -0.0031   -0.0009
y    -0.0803    0.0010   -0.0020    0.0004    0.0010   -0.0375    0.0003    0.0005   -0.0003   -0.0004
y    -0.0052    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6773  189.4273 -169.4350  151.1846 -136.5185  123.8021 -110.3285   94.7242  -77.7564
z    61.4845  -47.7893   37.3899  -29.8042   23.9869  -19.0487   14.6142  -10.7414    7.6203   -5.3186
z     3.7146   -2.5859    1.7340   -1.0514    0.5107   -0.1142   -0.1446    0.2911   -0.3584    0.3751
z    -0.3625    0.3369   -0.3107    0.2898   -0.2721    0.2504   -0.2189    0.1787   -0.1369    0.1023
z    -0.0795    0.0670   -0.0594    0.0517   -0.0421    0.0320   -0.0237    0.0184   -0.0157    0.0141
z    -0.0126    0.0108   -0.0088    0.0069   -0.0052    0.0039   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.201   0.000   0.103   0.000   0.045   0.233   0.000  -0.012
  0.000 -11.300   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.419   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.297   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.233   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.059   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.201   0.000   0.103   0.000   0.045   0.233   0.000  -0.012
  0.000 -11.300   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.419   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.297   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.233   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.059   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.701   0.000   0.288   0.000   0.163   0.281   0.000  -0.306   0.000  -0.196   0.086  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.048   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.268   0.000   0.298   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.064  -0.069   0.037   0.000  -0.053   0.000   0.000
  0.281   0.000  -0.268   0.000  -0.197   0.221   0.000  -0.123   0.000  -0.110   0.321  -0.103   0.000   0.025   0.000   0.000
  0.000   0.048   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.306   0.000   0.298   0.000   0.182  -0.123   0.000   0.427   0.000   0.069   0.147  -0.137   0.000  -0.177   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.171   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.196   0.000   0.158   0.000   0.064  -0.110   0.000   0.069   0.000   0.090  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.086   0.000  -0.280   0.000  -0.069   0.321   0.000   0.147   0.000  -0.178   1.140  -0.353   0.000  -0.139   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.103   0.000  -0.137   0.000   0.061  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.175  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.177   0.000  -0.012  -0.139   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.175   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.007   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.855   8.784
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.644
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.864   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.864   1.784   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.776   0.000   2.640
 17        0.849   1.732   0.000   2.580
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.768   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.864   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.784   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.864   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.784   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.768   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.864   1.784   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.580
 42        0.865   1.776   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.783   0.000   2.647
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.644
 50        0.864   1.782   0.000   2.646
 51        0.864   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.793  89.407   7.855 142.054
 


 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  112.34: CPU time   56.87
    FORLOC:  VPU time    1.26: CPU time    1.25
    FORNL :  VPU time  440.16: CPU time  221.99
    STRESS:  VPU time 1322.68: CPU time  664.81
    FORCOR:  VPU time    8.54: CPU time    8.53
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.20: CPU time    0.20
 d Force =-0.3149260E-02[-0.833E-02, 0.203E-02]  d Energy =-0.3616940E-02 0.468E-03
 d Force =-0.3260613E-01[-0.568E-01,-0.839E-02]  d Ewald  = 0.2873589E+01-0.291E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.644525 eV

  energy  without entropy=     -469.644525  energy(sigma->0) =     -469.644525
 

  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    40929.52  40987.85 -47641.91     50.52      0.00      0.00
  Hartree  40393.37  40419.98 -39642.85     23.05      0.00      0.00
  E(xc)     -779.27   -778.88   -806.98      0.34      0.00      0.00
  Local   -83614.97 -83694.88  84597.36    -69.20      0.00      0.00
  n-local   -214.73   -206.83   -206.61      5.95      0.00      0.00
  augment     21.82     19.25     20.60     -2.22      0.00      0.00
  Kinetic   3165.89   3163.18   3586.03     -8.83      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -1.25      0.42     -0.43      1.45      0.00      0.00
  in kB       -0.76      0.26     -0.26      0.88      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.344485605 -0.005724934  0.000000000     0.081029550  0.046832619  0.000000000
    -6.177207380 10.687771491  0.000000000     0.000043404  0.093589961  0.000000000
     0.000000000  0.000000000 20.000517581     0.000000000  0.000000000  0.049998706

  length of vectors
    12.344486933 12.344486642 20.000517581     0.093589969  0.093589971  0.049998706


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.963E-05 -.304E-04 -.110E+04   0.444E-05 -.262E-04 0.110E+04   -.254E-20 0.169E-20 0.368E+01   0.192E-06 -.119E-06 0.184E-01
   -.268E+02 -.464E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.197E+00   -.996E-03 -.173E-02 0.670E-03
   0.268E+02 0.464E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.197E+00   0.996E-03 0.173E-02 0.670E-03
   -.243E+01 0.140E+01 0.309E+02   0.245E+01 -.141E+01 -.309E+02   0.924E-01 -.534E-01 0.880E-02   -.950E-03 0.546E-03 -.185E-03
   0.607E+01 0.692E+01 0.344E+02   -.595E+01 -.696E+01 -.343E+02   0.755E-02 -.402E-01 -.432E-01   -.310E-02 0.763E-03 -.155E-03
   0.114E+02 0.611E+01 0.251E+02   -.113E+02 -.618E+01 -.250E+02   -.304E-01 -.142E-01 -.120E+00   -.713E-03 0.328E-02 0.164E-03
   0.396E+01 -.910E+00 0.209E+02   -.391E+01 0.880E+00 -.209E+02   0.277E-01 -.197E-01 0.155E-01   0.837E-03 0.291E-03 0.140E-03
   -.321E+01 -.232E+01 0.220E+02   0.327E+01 0.226E+01 -.221E+02   0.299E-01 -.350E-02 0.205E-01   -.406E-03 -.597E-03 -.123E-03
   0.402E+00 0.394E+01 0.220E+02   -.320E+00 -.396E+01 -.221E+02   0.180E-01 -.241E-01 0.205E-01   0.310E-03 0.645E-03 -.128E-03
   0.250E+01 0.187E+02 0.369E+02   -.246E+01 -.187E+02 -.369E+02   0.751E-01 -.223E-01 -.220E-01   0.414E-03 -.157E-02 0.315E-03
   0.202E+02 0.228E+02 0.462E+02   -.202E+02 -.229E+02 -.459E+02   0.257E-01 0.854E-01 -.324E+00   -.502E-03 0.364E-02 0.194E-02
   0.270E+02 -.558E+01 0.229E+02   -.270E+02 0.559E+01 -.229E+02   0.130E+00 -.920E-01 0.133E-01   -.327E-02 0.512E-03 0.861E-03
   0.917E+01 -.530E+01 0.156E+02   -.903E+01 0.521E+01 -.157E+02   -.979E-02 0.565E-02 0.450E-01   -.174E-02 0.100E-02 -.207E-03
   0.277E+01 -.298E+01 0.209E+02   -.272E+01 0.294E+01 -.209E+02   0.309E-01 -.141E-01 0.155E-01   0.165E-03 -.874E-03 0.128E-03
   -.735E+01 0.130E+02 0.240E+02   0.741E+01 -.131E+02 -.240E+02   0.632E-01 -.195E-01 0.181E-01   -.805E-03 0.152E-02 0.386E-03
   -.140E+02 0.312E+02 0.320E+02   0.139E+02 -.317E+02 -.323E+02   0.155E+00 0.439E+00 0.274E+00   -.640E-03 -.407E-02 0.219E-02
   0.338E+02 -.195E+02 0.936E+01   -.349E+02 0.201E+02 -.117E+02   0.118E+01 -.684E+00 0.233E+01   -.368E-02 0.212E-02 0.524E-02
   0.183E+02 -.206E+02 0.229E+02   -.183E+02 0.206E+02 -.229E+02   0.145E+00 -.666E-01 0.133E-01   -.208E-02 0.257E-02 0.855E-03
   0.432E+00 -.130E+02 0.251E+02   -.312E+00 0.129E+02 -.250E+02   -.291E-02 0.335E-01 -.120E+00   -.319E-02 -.102E-02 0.157E-03
   -.437E+01 0.134E+01 0.174E+02   0.444E+01 -.141E+01 -.174E+02   0.299E-01 -.709E-02 -.812E-01   -.198E-02 0.284E-02 -.211E-04
   -.187E+02 0.108E+02 0.129E+02   0.188E+02 -.109E+02 -.126E+02   0.502E-01 -.290E-01 -.252E+00   -.118E-02 0.685E-03 0.476E-03
   -.340E+02 -.351E+01 0.320E+02   0.344E+02 0.375E+01 -.323E+02   -.303E+00 -.354E+00 0.274E+00   0.321E-02 0.259E-02 0.219E-02
   -.961E+01 -.289E+02 0.462E+02   0.979E+01 0.289E+02 -.459E+02   -.611E-01 -.649E-01 -.324E+00   -.340E-02 -.139E-02 0.194E-02
   -.296E+01 -.871E+01 0.344E+02   0.305E+01 0.863E+01 -.343E+02   0.386E-01 0.136E-01 -.432E-01   -.221E-02 0.230E-02 -.156E-03
   0.831E+00 -.480E+00 0.238E+02   -.752E+00 0.434E+00 -.238E+02   0.107E-01 -.619E-02 -.651E-01   -.412E-03 0.239E-03 -.196E-03
   -.334E+01 0.311E+01 0.174E+02   0.344E+01 -.314E+01 -.174E+02   0.211E-01 -.223E-01 -.812E-01   -.344E-02 0.297E-03 -.145E-04
   -.150E+02 -.146E+00 0.240E+02   0.150E+02 0.113E+00 -.240E+02   0.485E-01 -.449E-01 0.181E-01   -.172E-02 -.656E-04 0.397E-03
   -.149E+02 -.115E+02 0.369E+02   0.149E+02 0.115E+02 -.369E+02   0.568E-01 -.539E-01 -.220E-01   0.157E-02 0.422E-03 0.319E-03
   0.296E+01 0.871E+01 0.344E+02   -.305E+01 -.863E+01 -.343E+02   -.386E-01 -.136E-01 -.432E-01   0.221E-02 -.230E-02 -.156E-03
   0.149E+02 0.115E+02 0.369E+02   -.149E+02 -.115E+02 -.369E+02   -.568E-01 0.539E-01 -.220E-01   -.157E-02 -.422E-03 0.319E-03
   0.150E+02 0.146E+00 0.240E+02   -.150E+02 -.113E+00 -.240E+02   -.485E-01 0.449E-01 0.181E-01   0.172E-02 0.656E-04 0.397E-03
   0.334E+01 -.311E+01 0.174E+02   -.344E+01 0.314E+01 -.174E+02   -.211E-01 0.223E-01 -.812E-01   0.344E-02 -.297E-03 -.145E-04
   -.831E+00 0.480E+00 0.238E+02   0.752E+00 -.434E+00 -.238E+02   -.107E-01 0.619E-02 -.651E-01   0.412E-03 -.239E-03 -.196E-03
   -.432E+00 0.130E+02 0.251E+02   0.312E+00 -.129E+02 -.250E+02   0.291E-02 -.335E-01 -.120E+00   0.319E-02 0.102E-02 0.157E-03
   0.961E+01 0.289E+02 0.462E+02   -.979E+01 -.289E+02 -.459E+02   0.611E-01 0.649E-01 -.324E+00   0.340E-02 0.139E-02 0.194E-02
   0.340E+02 0.351E+01 0.320E+02   -.344E+02 -.375E+01 -.323E+02   0.303E+00 0.354E+00 0.274E+00   -.321E-02 -.259E-02 0.219E-02
   0.187E+02 -.108E+02 0.129E+02   -.188E+02 0.109E+02 -.126E+02   -.502E-01 0.290E-01 -.252E+00   0.118E-02 -.685E-03 0.476E-03
   0.437E+01 -.134E+01 0.174E+02   -.444E+01 0.141E+01 -.174E+02   -.299E-01 0.709E-02 -.812E-01   0.198E-02 -.284E-02 -.211E-04
   -.277E+01 0.298E+01 0.209E+02   0.272E+01 -.294E+01 -.209E+02   -.309E-01 0.141E-01 0.155E-01   -.165E-03 0.874E-03 0.128E-03
   -.183E+02 0.206E+02 0.229E+02   0.183E+02 -.206E+02 -.229E+02   -.145E+00 0.666E-01 0.133E-01   0.208E-02 -.257E-02 0.855E-03
   -.338E+02 0.195E+02 0.936E+01   0.349E+02 -.201E+02 -.117E+02   -.118E+01 0.684E+00 0.233E+01   0.368E-02 -.212E-02 0.524E-02
   0.140E+02 -.312E+02 0.320E+02   -.139E+02 0.317E+02 -.323E+02   -.155E+00 -.439E+00 0.274E+00   0.640E-03 0.407E-02 0.219E-02
   0.735E+01 -.130E+02 0.240E+02   -.741E+01 0.131E+02 -.240E+02   -.632E-01 0.195E-01 0.181E-01   0.805E-03 -.152E-02 0.386E-03
   -.402E+00 -.394E+01 0.220E+02   0.320E+00 0.396E+01 -.221E+02   -.180E-01 0.241E-01 0.205E-01   -.310E-03 -.645E-03 -.128E-03
   -.917E+01 0.530E+01 0.156E+02   0.903E+01 -.521E+01 -.157E+02   0.979E-02 -.565E-02 0.450E-01   0.174E-02 -.100E-02 -.207E-03
   -.270E+02 0.558E+01 0.229E+02   0.270E+02 -.559E+01 -.229E+02   -.130E+00 0.920E-01 0.133E-01   0.327E-02 -.512E-03 0.861E-03
   -.202E+02 -.228E+02 0.462E+02   0.202E+02 0.229E+02 -.459E+02   -.257E-01 -.854E-01 -.324E+00   0.502E-03 -.364E-02 0.194E-02
   -.251E+01 -.187E+02 0.369E+02   0.246E+01 0.187E+02 -.369E+02   -.751E-01 0.223E-01 -.220E-01   -.414E-03 0.157E-02 0.315E-03
   0.243E+01 -.140E+01 0.309E+02   -.245E+01 0.141E+01 -.309E+02   -.924E-01 0.534E-01 0.880E-02   0.950E-03 -.546E-03 -.185E-03
   0.321E+01 0.232E+01 0.220E+02   -.327E+01 -.226E+01 -.221E+02   -.299E-01 0.350E-02 0.205E-01   0.406E-03 0.597E-03 -.123E-03
   -.396E+01 0.910E+00 0.209E+02   0.391E+01 -.880E+00 -.209E+02   -.277E-01 0.197E-01 0.155E-01   -.837E-03 -.291E-03 0.140E-03
   -.114E+02 -.611E+01 0.251E+02   0.113E+02 0.618E+01 -.250E+02   0.304E-01 0.142E-01 -.120E+00   0.713E-03 -.328E-02 0.164E-03
   -.607E+01 -.692E+01 0.344E+02   0.595E+01 0.696E+01 -.343E+02   -.755E-02 0.402E-01 -.432E-01   0.310E-02 -.763E-03 -.155E-03
 -----------------------------------------------------------------------------------------------
   -.193E-02 0.397E-03 -.644E+01   -.219E-12 -.167E-12 -.497E-13   0.220E-15 0.146E-15 0.641E+01   0.262E-06 -.184E-06 0.527E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.84886      6.05392     12.41227         0.000000      0.000000     -0.012478
      2.67585      7.48632     12.52474         0.007278      0.012606     -0.012483
      1.02187      4.62153     12.52474        -0.007278     -0.012606     -0.012483
     12.34304     -0.00489      9.88003         0.106515     -0.061496      0.002384
     -1.23543      2.13928      9.88540         0.120330     -0.085092     -0.002057
     -2.47176      4.27693      9.93397         0.075744     -0.088141     -0.002792
      8.63698      6.40711      9.94331         0.086001     -0.048818     -0.000474
     -4.94089      8.55023      9.91968         0.091170     -0.064148     -0.000283
     -3.70789     10.68586      9.91968         0.101139     -0.046882     -0.000283
      1.23372      2.13922      9.92555         0.116504     -0.006414      0.000808
     -0.00571      4.27873     10.00854         0.062311     -0.100974     -0.000036
     -1.24214      6.41024     10.03587         0.102216     -0.082829      0.010121
     -2.47112      8.54806      9.96832         0.132328     -0.076399      0.001894
      4.93705     -0.00135      9.94331         0.085278     -0.050070     -0.000474
      3.70146      2.13246      9.96219         0.116280     -0.045269     -0.001498
      2.46988      4.25172     10.12968         0.137415     -0.020264      0.003871
      1.21079      6.42231     10.35701         0.112853     -0.065156      0.019730
     -0.00522      8.55265     10.03587         0.122840     -0.047107      0.010121
      1.22746     10.68418      9.93397         0.114205     -0.021526     -0.002792
      6.17008      2.13419      9.94406         0.097447     -0.075292     -0.003478
      4.93717      4.27089     10.02869         0.134102     -0.077424     -0.009769
      3.72012      6.41721     10.12968         0.086257     -0.108873      0.003871
      2.45894      8.54763     10.00854         0.118601     -0.003475     -0.000036
      3.69689     10.68232      9.88540         0.133858     -0.061663     -0.002057
      8.63895      2.13367      9.90254         0.089572     -0.051715     -0.003881
      7.40406      4.27150      9.94406         0.113928     -0.046746     -0.003478
      6.17124      6.41025      9.96219         0.097344     -0.078067     -0.001498
      4.93152      8.54400      9.92555         0.063807     -0.097689      0.000808
      0.00083      1.42553      9.88540        -0.133858      0.061663     -0.002057
     -1.23380      3.56384      9.92555        -0.063807      0.097689      0.000808
     -2.47353      5.69759      9.96219        -0.097344      0.078067     -0.001498
     -3.70634      7.83635      9.94406        -0.113928      0.046746     -0.003478
     -4.94123      9.97418      9.90254        -0.089572      0.051715     -0.003881
      2.47026      1.42366      9.93397        -0.114205      0.021526     -0.002792
      1.23878      3.56022     10.00854        -0.118601      0.003475     -0.000036
     -0.02241      5.69064     10.12968        -0.086257      0.108873      0.003871
     -1.23945      7.83696     10.02869        -0.134102      0.077424     -0.009769
     -2.47237      9.97365      9.94406        -0.097447      0.075292     -0.003478
      4.93787      1.42143      9.94331        -0.085278      0.050070     -0.000474
      3.70294      3.55519     10.03587        -0.122840      0.047107      0.010121
      2.48692      5.68554     10.35701        -0.112853      0.065156      0.019730
      1.22784      7.85613     10.12968        -0.137415      0.020264      0.003871
     -0.00374      9.97538      9.96219        -0.116280      0.045269     -0.001498
      7.40561      1.42198      9.91968        -0.101139      0.046882     -0.000283
      6.16884      3.55978      9.96832        -0.132328      0.076399      0.001894
      4.93986      5.69761     10.03587        -0.102216      0.082829      0.010121
      3.70343      7.82912     10.00854        -0.062311      0.100974     -0.000036
      2.46400      9.96862      9.92555        -0.116504      0.006414      0.000808
      9.87637      1.41924      9.88003        -0.106515      0.061496      0.002384
      8.63861      3.55761      9.91968        -0.091170      0.064148     -0.000283
      7.40522      5.69501      9.94331        -0.086001      0.048818     -0.000474
      6.16948      7.83091      9.93397        -0.075744      0.088141     -0.002792
      4.93315      9.96856      9.88540        -0.120330      0.085092     -0.002057
 -----------------------------------------------------------------------------------
    total drift:                               -0.001927      0.000397      0.021773


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


 Steepest descent step on ions:
 trial-energy change:    0.003617  1 .order    0.003771   -0.002991    0.010533
  (g-gl).g = 0.299E-02      g.g   = 0.299E-02  gl.gl    = 0.000E+00
 g(Force)  = 0.203E-02   g(Stress)= 0.958E-03 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.22117  (harmonic =   0.22117) maximal distance =0.00035909
 next E    =  -469.648472   (d E  =  -0.00033)


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


    WAVPRE:  VPU time    1.95: CPU time    1.96
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  181.50: CPU time   91.02
     LOOP+:  VPU time 9717.89: CPU time 5009.67


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


    POTLOK:  VPU time    9.24: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1813.30: CPU time  932.99
 BZINTS: Fermi energy: -3.254534;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.77: CPU time   57.32
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1936.87: CPU time  999.88

 eigenvalue-minimisations  :  6048
 total energy-change (2. order) :-0.4696491E+03  (-0.2289486E-01)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9550558 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.16494E-01    rms(broyden)= 0.16485E-01
  rms(prec ) = 0.17667E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34277.70359953
  -1/2 Hartree   DENC   =    -41172.32190167
  -V(xc)+E(xc)   XCENC  =       726.33574419
  PAW double counting   =      4067.95539716    -4106.60812904
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2468.15364160
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64907784 eV

  energy without entropy =     -469.64907784  energy(sigma->0) =     -469.64907784


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




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


    POTLOK:  VPU time    9.03: CPU time    9.03
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1927.73: CPU time  996.08
 BZINTS: Fermi energy: -3.255508;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.49: CPU time   56.95
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2049.83: CPU time 1062.61

 eigenvalue-minimisations  :  6576
 total energy-change (2. order) : 0.1141097E-03  (-0.6765499E-03)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9552952 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.11623E-01    rms(broyden)= 0.11622E-01
  rms(prec ) = 0.12362E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3304
  2.3304

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34277.70359953
  -1/2 Hartree   DENC   =    -41172.36195242
  -V(xc)+E(xc)   XCENC  =       726.33621033
  PAW double counting   =      4067.94615902    -4106.59897580
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2468.11385800
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64896373 eV

  energy without entropy =     -469.64896373  energy(sigma->0) =     -469.64896373


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




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


    POTLOK:  VPU time    9.06: CPU time    9.07
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1842.25: CPU time  949.01
 BZINTS: Fermi energy: -3.254314;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.98: CPU time   56.50
    MIXING:  VPU time    0.19: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 1963.90: CPU time 1015.14

 eigenvalue-minimisations  :  6184
 total energy-change (2. order) : 0.4050846E-03  (-0.1439302E-03)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9552813 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.17535E-02    rms(broyden)= 0.17524E-02
  rms(prec ) = 0.19187E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5601
  1.9773  1.1429

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34277.70359953
  -1/2 Hartree   DENC   =    -41172.47423368
  -V(xc)+E(xc)   XCENC  =       726.33871671
  PAW double counting   =      4067.98841169    -4106.64082235
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2468.00408415
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64855864 eV

  energy without entropy =     -469.64855864  energy(sigma->0) =     -469.64855864


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




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


    POTLOK:  VPU time    9.08: CPU time    9.08
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1564.72: CPU time  806.81
 BZINTS: Fermi energy: -3.255361;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1574.20: CPU time  816.27

 eigenvalue-minimisations  :  4928
 total energy-change (2. order) :-0.7457915E-05  (-0.2148239E-04)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9552813 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34277.70359953
  -1/2 Hartree   DENC   =    -41172.47130105
  -V(xc)+E(xc)   XCENC  =       726.33849450
  PAW double counting   =      4067.96192946    -4106.61405031
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2468.00709182
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64856610 eV

  energy without entropy =     -469.64856610  energy(sigma->0) =     -469.64856610


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




 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 -59.0094       2 -37.4828       3 -37.4828       4 -58.3193       5 -58.2935
       6 -58.3061       7 -58.3036       8 -58.3122       9 -58.3122      10 -58.2867
      11 -58.3243      12 -58.2813      13 -58.3240      14 -58.3036      15 -58.3025
      16 -58.3977      17 -58.9685      18 -58.2813      19 -58.3061      20 -58.3081
      21 -58.2941      22 -58.3977      23 -58.3243      24 -58.2935      25 -58.3291
      26 -58.3081      27 -58.3025      28 -58.2867      29 -58.2934      30 -58.2866
      31 -58.3024      32 -58.3080      33 -58.3290      34 -58.3060      35 -58.3242
      36 -58.3977      37 -58.2941      38 -58.3080      39 -58.3035      40 -58.2812
      41 -58.9684      42 -58.3977      43 -58.3024      44 -58.3121      45 -58.3238
      46 -58.2812      47 -58.3242      48 -58.2866      49 -58.3192      50 -58.3121
      51 -58.3035      52 -58.3060      53 -58.2935
 
 
 
 E-fermi :  -3.2554     XC(G=0):  -2.3618     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     -22.3731      1.00000
      2     -21.5060      1.00000
      3     -21.4310      1.00000
      4     -21.4307      1.00000
      5     -21.4191      1.00000
      6     -21.4089      1.00000
      7     -21.4047      1.00000
      8     -19.6672      1.00000
      9     -19.5976      1.00000
     10     -19.5925      1.00000
     11     -19.5809      1.00000
     12     -19.5689      1.00000
     13     -19.5657      1.00000
     14     -18.7663      1.00000
     15     -18.7037      1.00000
     16     -18.6967      1.00000
     17     -18.6835      1.00000
     18     -18.6756      1.00000
     19     -18.6703      1.00000
     20     -16.6328      1.00000
     21     -16.5502      1.00000
     22     -16.5441      1.00000
     23     -16.5358      1.00000
     24     -16.5264      1.00000
     25     -16.5222      1.00000
     26     -15.6078      1.00000
     27     -15.5663      1.00000
     28     -15.5240      1.00000
     29     -15.5222      1.00000
     30     -15.5201      1.00000
     31     -15.5164      1.00000
     32     -14.2565      1.00000
     33     -14.2213      1.00000
     34     -14.1954      1.00000
     35     -14.1947      1.00000
     36     -14.1769      1.00000
     37     -14.1714      1.00000
     38     -11.9854      1.00000
     39     -11.8729      1.00000
     40     -11.8249      1.00000
     41     -11.8100      1.00000
     42     -11.8087      1.00000
     43     -11.8027      1.00000
     44     -11.7295      1.00000
     45     -11.7240      1.00000
     46     -11.7058      1.00000
     47     -11.6974      1.00000
     48     -11.6909      1.00000
     49     -11.6826      1.00000
     50     -10.6446      1.00000
     51     -10.3752      1.00000
     52     -10.3583      1.00000
     53     -10.3370      1.00000
     54     -10.3287      1.00000
     55     -10.3210      1.00000
     56     -10.2967      1.00000
     57      -9.7926      1.00000
     58      -9.4115      1.00000
     59      -9.3917      1.00000
     60      -9.3534      1.00000
     61      -9.3429      1.00000
     62      -9.3333      1.00000
     63      -9.1754      1.00000
     64      -9.0804      1.00000
     65      -9.0770      1.00000
     66      -9.0636      1.00000
     67      -9.0595      1.00000
     68      -9.0326      1.00000
     69      -9.0298      1.00000
     70      -9.0264      1.00000
     71      -9.0136      1.00000
     72      -9.0041      1.00000
     73      -8.9948      1.00000
     74      -8.9744      1.00000
     75      -7.9871      1.00000
     76      -7.7014      1.00000
     77      -7.5080      1.00000
     78      -7.4854      1.00000
     79      -7.4623      1.00000
     80      -7.4118      1.00000
     81      -7.3964      1.00000
     82      -7.3780      1.00000
     83      -7.3468      1.00000
     84      -7.2248      1.00000
     85      -7.1826      1.00000
     86      -7.1779      1.00000
     87      -7.1747      1.00000
     88      -6.6144      1.00000
     89      -6.5778      1.00000
     90      -6.3666      1.00000
     91      -6.3574      1.00000
     92      -6.3181      1.00000
     93      -6.2939      1.00000
     94      -5.9421      1.00000
     95      -5.8959      1.00000
     96      -5.3608      1.00000
     97      -5.1940      1.00000
     98      -4.8404      1.00000
     99      -4.7159      1.00000
    100      -4.3638      1.00000
    101      -4.3578      1.00000
    102      -4.3467      1.00000
    103      -4.3357      1.00000
    104      -4.1693      1.00000
    105      -3.9336      1.00000
    106      -3.5930      1.00000
    107      -2.9234      0.00000
    108      -1.5533      0.00000
    109      -1.5509      0.00000
    110      -1.5378      0.00000
    111      -1.5377      0.00000
    112      -1.4800      0.00000
    113      -1.4648      0.00000
    114       0.0752      0.00000
    115       0.2361      0.00000
    116       0.2818      0.00000
    117       0.3012      0.00000
    118       0.3053      0.00000
    119       0.3721      0.00000
    120       0.6089      0.00000
    121       1.2656      0.00000
    122       1.3573      0.00000
    123       1.6917      0.00000
    124       1.7539      0.00000
    125       1.7768      0.00000
    126       1.7820      0.00000
    127       1.8454      0.00000
    128       1.8716      0.00000
    129       1.9994      0.00000
    130       2.0043      0.00000
    131       2.0157      0.00000
    132       2.0211      0.00000
    133       2.0228      0.00000
    134       2.0813      0.00000
    135       2.3073      0.00000
    136       2.4583      0.00000
    137       2.5750      0.00000
    138       2.5805      0.00000
    139       2.6141      0.00000
    140       2.7353      0.00000
    141       2.8271      0.00000
    142       3.0200      0.00000
    143       3.0279      0.00000
    144       3.0446      0.00000
    145       3.0554      0.00000
    146       3.0844      0.00000
    147       3.1052      0.00000
    148       3.4399      0.00000
    149       3.5366      0.00000
    150       3.5783      0.00000
    151       3.8908      0.00000
    152       3.8988      0.00000
    153       3.9396      0.00000
    154       3.9514      0.00000
    155       3.9786      0.00000
    156       4.0445      0.00000
    157       4.1580      0.00000
    158       4.2043      0.00000
    159       4.2504      0.00000
    160       4.2519      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3356      1.00000
      2     -21.7732      1.00000
      3     -21.5988      1.00000
      4     -21.5676      1.00000
      5     -21.2236      1.00000
      6     -21.1949      1.00000
      7     -21.0216      1.00000
      8     -20.1211      1.00000
      9     -20.0880      1.00000
     10     -19.5727      1.00000
     11     -19.5456      1.00000
     12     -19.3796      1.00000
     13     -19.0515      1.00000
     14     -19.0196      1.00000
     15     -19.0065      1.00000
     16     -18.9951      1.00000
     17     -18.3290      1.00000
     18     -18.3045      1.00000
     19     -17.9830      1.00000
     20     -17.0374      1.00000
     21     -16.9851      1.00000
     22     -16.9195      1.00000
     23     -16.8980      1.00000
     24     -16.4378      1.00000
     25     -16.4148      1.00000
     26     -15.5899      1.00000
     27     -15.5583      1.00000
     28     -15.2362      1.00000
     29     -15.1970      1.00000
     30     -15.1338      1.00000
     31     -15.0599      1.00000
     32     -15.0300      1.00000
     33     -14.6692      1.00000
     34     -14.6513      1.00000
     35     -13.7064      1.00000
     36     -13.6809      1.00000
     37     -13.2037      1.00000
     38     -12.5998      1.00000
     39     -12.5418      1.00000
     40     -12.4202      1.00000
     41     -12.4057      1.00000
     42     -12.1111      1.00000
     43     -12.0689      1.00000
     44     -11.6960      1.00000
     45     -11.6469      1.00000
     46     -11.2339      1.00000
     47     -11.1911      1.00000
     48     -11.0086      1.00000
     49     -10.9737      1.00000
     50     -10.9096      1.00000
     51     -10.8663      1.00000
     52     -10.5309      1.00000
     53     -10.1292      1.00000
     54     -10.1244      1.00000
     55     -10.0823      1.00000
     56      -9.9203      1.00000
     57      -9.7074      1.00000
     58      -9.6723      1.00000
     59      -9.6122      1.00000
     60      -9.5839      1.00000
     61      -9.5418      1.00000
     62      -9.4807      1.00000
     63      -9.2989      1.00000
     64      -9.2770      1.00000
     65      -9.2288      1.00000
     66      -9.1755      1.00000
     67      -9.1119      1.00000
     68      -9.0775      1.00000
     69      -9.0651      1.00000
     70      -8.9058      1.00000
     71      -8.8451      1.00000
     72      -8.6016      1.00000
     73      -8.5669      1.00000
     74      -8.1238      1.00000
     75      -8.0460      1.00000
     76      -7.9500      1.00000
     77      -7.8301      1.00000
     78      -7.7920      1.00000
     79      -7.7318      1.00000
     80      -7.6927      1.00000
     81      -7.3498      1.00000
     82      -7.3342      1.00000
     83      -7.3282      1.00000
     84      -7.2710      1.00000
     85      -7.0664      1.00000
     86      -6.9811      1.00000
     87      -6.8258      1.00000
     88      -6.7508      1.00000
     89      -6.6435      1.00000
     90      -6.5650      1.00000
     91      -6.1382      1.00000
     92      -6.1071      1.00000
     93      -6.0922      1.00000
     94      -5.9668      1.00000
     95      -5.7357      1.00000
     96      -5.3970      1.00000
     97      -5.2088      1.00000
     98      -4.9407      1.00000
     99      -4.7996      1.00000
    100      -4.6385      1.00000
    101      -4.5378      1.00000
    102      -4.4858      1.00000
    103      -4.3647      1.00000
    104      -4.0457      1.00000
    105      -3.8150      1.00000
    106      -3.5703      1.00000
    107      -2.9456      0.00000
    108      -1.7196      0.00000
    109      -1.6765      0.00000
    110      -1.2944      0.00000
    111      -1.2722      0.00000
    112      -1.2464      0.00000
    113      -1.2148      0.00000
    114      -0.5619      0.00000
    115      -0.1904      0.00000
    116      -0.1718      0.00000
    117       0.6268      0.00000
    118       0.6734      0.00000
    119       0.7262      0.00000
    120       0.9843      0.00000
    121       1.1157      0.00000
    122       1.2389      0.00000
    123       1.3353      0.00000
    124       1.4372      0.00000
    125       1.4926      0.00000
    126       1.7352      0.00000
    127       1.7563      0.00000
    128       1.7965      0.00000
    129       1.8523      0.00000
    130       1.9483      0.00000
    131       2.1632      0.00000
    132       2.2044      0.00000
    133       2.2465      0.00000
    134       2.4259      0.00000
    135       2.5059      0.00000
    136       2.5973      0.00000
    137       2.6842      0.00000
    138       2.6926      0.00000
    139       2.7673      0.00000
    140       2.7907      0.00000
    141       2.8440      0.00000
    142       2.8536      0.00000
    143       2.9839      0.00000
    144       3.0452      0.00000
    145       3.2571      0.00000
    146       3.3434      0.00000
    147       3.3582      0.00000
    148       3.4405      0.00000
    149       3.5135      0.00000
    150       3.5621      0.00000
    151       3.6429      0.00000
    152       3.7171      0.00000
    153       3.7536      0.00000
    154       3.9217      0.00000
    155       3.9487      0.00000
    156       4.0227      0.00000
    157       4.0687      0.00000
    158       4.1505      0.00000
    159       4.2322      0.00000
    160       4.2635      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2240      1.00000
      2     -22.0326      1.00000
      3     -21.6732      1.00000
      4     -21.6426      1.00000
      5     -20.9297      1.00000
      6     -20.8980      1.00000
      7     -20.5692      1.00000
      8     -20.5344      1.00000
      9     -20.5249      1.00000
     10     -19.9928      1.00000
     11     -19.4671      1.00000
     12     -19.4376      1.00000
     13     -19.2751      1.00000
     14     -19.2549      1.00000
     15     -18.4078      1.00000
     16     -18.3690      1.00000
     17     -17.8966      1.00000
     18     -17.8657      1.00000
     19     -17.7194      1.00000
     20     -17.6838      1.00000
     21     -17.4095      1.00000
     22     -17.3834      1.00000
     23     -17.3068      1.00000
     24     -16.4328      1.00000
     25     -16.4125      1.00000
     26     -15.9193      1.00000
     27     -15.3889      1.00000
     28     -15.3604      1.00000
     29     -15.0726      1.00000
     30     -15.0466      1.00000
     31     -14.8388      1.00000
     32     -14.8050      1.00000
     33     -14.2557      1.00000
     34     -14.2165      1.00000
     35     -13.4139      1.00000
     36     -13.3627      1.00000
     37     -13.1605      1.00000
     38     -13.1314      1.00000
     39     -12.9374      1.00000
     40     -12.9285      1.00000
     41     -12.6034      1.00000
     42     -12.5710      1.00000
     43     -12.1716      1.00000
     44     -11.5633      1.00000
     45     -11.5028      1.00000
     46     -11.3007      1.00000
     47     -11.2497      1.00000
     48     -11.1231      1.00000
     49     -10.6811      1.00000
     50     -10.6342      1.00000
     51     -10.4487      1.00000
     52     -10.2910      1.00000
     53     -10.2754      1.00000
     54     -10.1606      1.00000
     55     -10.0850      1.00000
     56     -10.0707      1.00000
     57      -9.7891      1.00000
     58      -9.7431      1.00000
     59      -9.6951      1.00000
     60      -9.6743      1.00000
     61      -9.6626      1.00000
     62      -9.5985      1.00000
     63      -9.3386      1.00000
     64      -9.3235      1.00000
     65      -9.2859      1.00000
     66      -9.0301      1.00000
     67      -8.9356      1.00000
     68      -8.8426      1.00000
     69      -8.7618      1.00000
     70      -8.5914      1.00000
     71      -8.4959      1.00000
     72      -8.3705      1.00000
     73      -8.3641      1.00000
     74      -8.3042      1.00000
     75      -8.2453      1.00000
     76      -8.2435      1.00000
     77      -8.2229      1.00000
     78      -8.1960      1.00000
     79      -7.8730      1.00000
     80      -7.7458      1.00000
     81      -7.3725      1.00000
     82      -7.3166      1.00000
     83      -7.2994      1.00000
     84      -7.2083      1.00000
     85      -7.1817      1.00000
     86      -6.9501      1.00000
     87      -6.9318      1.00000
     88      -6.5923      1.00000
     89      -6.5409      1.00000
     90      -6.2648      1.00000
     91      -6.2012      1.00000
     92      -5.9830      1.00000
     93      -5.8156      1.00000
     94      -5.6702      1.00000
     95      -5.5150      1.00000
     96      -5.3316      1.00000
     97      -5.3066      1.00000
     98      -5.1930      1.00000
     99      -5.1911      1.00000
    100      -5.1092      1.00000
    101      -4.6899      1.00000
    102      -4.5496      1.00000
    103      -4.4512      1.00000
    104      -3.9155      1.00000
    105      -3.7078      1.00000
    106      -3.5361      1.00000
    107      -2.9678      0.00000
    108      -1.8182      0.00000
    109      -1.7631      0.00000
    110      -1.0876      0.00000
    111      -0.9711      0.00000
    112      -0.9432      0.00000
    113      -0.6488      0.00000
    114      -0.6045      0.00000
    115      -0.5700      0.00000
    116      -0.5330      0.00000
    117       0.1745      0.00000
    118       0.2558      0.00000
    119       0.7843      0.00000
    120       1.0022      0.00000
    121       1.1125      0.00000
    122       1.1668      0.00000
    123       1.3549      0.00000
    124       1.4761      0.00000
    125       1.5893      0.00000
    126       1.5947      0.00000
    127       1.6735      0.00000
    128       1.8975      0.00000
    129       1.9412      0.00000
    130       2.0207      0.00000
    131       2.1774      0.00000
    132       2.3384      0.00000
    133       2.3850      0.00000
    134       2.4055      0.00000
    135       2.5950      0.00000
    136       2.6784      0.00000
    137       2.7298      0.00000
    138       2.7705      0.00000
    139       2.8282      0.00000
    140       2.9988      0.00000
    141       3.0462      0.00000
    142       3.0734      0.00000
    143       3.1326      0.00000
    144       3.2491      0.00000
    145       3.3248      0.00000
    146       3.3759      0.00000
    147       3.4430      0.00000
    148       3.5360      0.00000
    149       3.5693      0.00000
    150       3.5986      0.00000
    151       3.6673      0.00000
    152       3.6960      0.00000
    153       3.7521      0.00000
    154       3.7756      0.00000
    155       3.7847      0.00000
    156       3.9231      0.00000
    157       3.9264      0.00000
    158       4.0254      0.00000
    159       4.2011      0.00000
    160       4.2696      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2610      1.00000
      2     -21.8900      1.00000
      3     -21.8763      1.00000
      4     -21.3280      1.00000
      5     -21.3156      1.00000
      6     -20.7729      1.00000
      7     -20.7572      1.00000
      8     -20.5804      1.00000
      9     -20.0307      1.00000
     10     -20.0282      1.00000
     11     -19.6733      1.00000
     12     -19.6584      1.00000
     13     -18.9496      1.00000
     14     -18.9494      1.00000
     15     -18.5931      1.00000
     16     -18.5930      1.00000
     17     -18.4204      1.00000
     18     -17.6456      1.00000
     19     -17.5893      1.00000
     20     -17.5677      1.00000
     21     -17.5623      1.00000
     22     -17.0743      1.00000
     23     -17.0733      1.00000
     24     -16.9194      1.00000
     25     -15.9533      1.00000
     26     -15.9043      1.00000
     27     -15.5497      1.00000
     28     -15.5330      1.00000
     29     -15.2694      1.00000
     30     -14.8183      1.00000
     31     -14.7957      1.00000
     32     -14.5437      1.00000
     33     -14.5124      1.00000
     34     -14.1312      1.00000
     35     -14.1263      1.00000
     36     -13.1058      1.00000
     37     -13.0446      1.00000
     38     -13.0206      1.00000
     39     -12.9892      1.00000
     40     -12.6785      1.00000
     41     -12.6764      1.00000
     42     -12.2886      1.00000
     43     -12.2811      1.00000
     44     -11.6523      1.00000
     45     -11.5982      1.00000
     46     -11.5395      1.00000
     47     -10.9407      1.00000
     48     -10.8907      1.00000
     49     -10.6391      1.00000
     50     -10.5988      1.00000
     51     -10.4750      1.00000
     52     -10.4636      1.00000
     53     -10.4077      1.00000
     54     -10.4047      1.00000
     55     -10.3190      1.00000
     56     -10.0412      1.00000
     57      -9.8766      1.00000
     58      -9.5904      1.00000
     59      -9.5256      1.00000
     60      -9.5032      1.00000
     61      -9.3775      1.00000
     62      -9.3738      1.00000
     63      -9.3445      1.00000
     64      -9.2950      1.00000
     65      -9.2425      1.00000
     66      -9.1690      1.00000
     67      -9.1248      1.00000
     68      -9.0824      1.00000
     69      -8.8441      1.00000
     70      -8.8233      1.00000
     71      -8.6824      1.00000
     72      -8.5754      1.00000
     73      -8.4206      1.00000
     74      -8.1988      1.00000
     75      -8.1518      1.00000
     76      -7.9725      1.00000
     77      -7.8847      1.00000
     78      -7.8219      1.00000
     79      -7.7964      1.00000
     80      -7.7672      1.00000
     81      -7.6779      1.00000
     82      -7.6218      1.00000
     83      -7.4109      1.00000
     84      -7.3515      1.00000
     85      -6.8998      1.00000
     86      -6.8909      1.00000
     87      -6.7310      1.00000
     88      -6.6477      1.00000
     89      -6.4111      1.00000
     90      -6.3323      1.00000
     91      -6.2891      1.00000
     92      -6.1816      1.00000
     93      -5.9741      1.00000
     94      -5.5827      1.00000
     95      -5.4783      1.00000
     96      -5.4125      1.00000
     97      -5.3720      1.00000
     98      -5.1952      1.00000
     99      -5.1083      1.00000
    100      -4.7531      1.00000
    101      -4.7042      1.00000
    102      -4.5695      1.00000
    103      -4.4196      1.00000
    104      -4.2020      1.00000
    105      -3.5539      1.00000
    106      -3.3957      1.00000
    107      -3.0508      0.00000
    108      -2.1036      0.00000
    109      -1.2447      0.00000
    110      -1.2051      0.00000
    111      -1.1769      0.00000
    112      -0.9341      0.00000
    113      -0.8351      0.00000
    114      -0.7853      0.00000
    115      -0.7036      0.00000
    116       0.1973      0.00000
    117       0.2026      0.00000
    118       0.3053      0.00000
    119       0.7626      0.00000
    120       0.8207      0.00000
    121       0.9113      0.00000
    122       1.1144      0.00000
    123       1.3250      0.00000
    124       1.5031      0.00000
    125       1.5715      0.00000
    126       1.8057      0.00000
    127       1.8321      0.00000
    128       1.8670      0.00000
    129       1.9617      0.00000
    130       1.9691      0.00000
    131       2.2479      0.00000
    132       2.3944      0.00000
    133       2.4067      0.00000
    134       2.4205      0.00000
    135       2.5557      0.00000
    136       2.5789      0.00000
    137       2.6285      0.00000
    138       2.7090      0.00000
    139       2.7340      0.00000
    140       2.9548      0.00000
    141       3.0467      0.00000
    142       3.1221      0.00000
    143       3.1802      0.00000
    144       3.2174      0.00000
    145       3.2221      0.00000
    146       3.3053      0.00000
    147       3.3209      0.00000
    148       3.5047      0.00000
    149       3.5113      0.00000
    150       3.6236      0.00000
    151       3.6913      0.00000
    152       3.7048      0.00000
    153       3.7916      0.00000
    154       3.9242      0.00000
    155       3.9681      0.00000
    156       3.9732      0.00000
    157       3.9886      0.00000
    158       3.9996      0.00000
    159       4.0297      0.00000
    160       4.1378      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1295      1.00000
      2     -22.0902      1.00000
      3     -21.9192      1.00000
      4     -21.3597      1.00000
      5     -21.0054      1.00000
      6     -20.9693      1.00000
      7     -20.4537      1.00000
      8     -20.4155      1.00000
      9     -20.2625      1.00000
     10     -20.2326      1.00000
     11     -19.9015      1.00000
     12     -19.8634      1.00000
     13     -18.8285      1.00000
     14     -18.7847      1.00000
     15     -18.3132      1.00000
     16     -18.2628      1.00000
     17     -18.1224      1.00000
     18     -18.0927      1.00000
     19     -17.7867      1.00000
     20     -17.7477      1.00000
     21     -17.2272      1.00000
     22     -17.1938      1.00000
     23     -17.1341      1.00000
     24     -17.0939      1.00000
     25     -16.0595      1.00000
     26     -15.8594      1.00000
     27     -15.8232      1.00000
     28     -15.7893      1.00000
     29     -15.2104      1.00000
     30     -14.5304      1.00000
     31     -14.4851      1.00000
     32     -14.2545      1.00000
     33     -13.9317      1.00000
     34     -13.9195      1.00000
     35     -13.7934      1.00000
     36     -13.7630      1.00000
     37     -13.5830      1.00000
     38     -13.5349      1.00000
     39     -13.3244      1.00000
     40     -12.5861      1.00000
     41     -12.1758      1.00000
     42     -12.1017      1.00000
     43     -12.0352      1.00000
     44     -11.9904      1.00000
     45     -11.6583      1.00000
     46     -11.6233      1.00000
     47     -11.1380      1.00000
     48     -11.0837      1.00000
     49     -10.7809      1.00000
     50     -10.7039      1.00000
     51     -10.4056      1.00000
     52     -10.1962      1.00000
     53     -10.1679      1.00000
     54     -10.1279      1.00000
     55      -9.9949      1.00000
     56      -9.9836      1.00000
     57      -9.9418      1.00000
     58      -9.7941      1.00000
     59      -9.7748      1.00000
     60      -9.7415      1.00000
     61      -9.7224      1.00000
     62      -9.4371      1.00000
     63      -9.3358      1.00000
     64      -9.0895      1.00000
     65      -9.0481      1.00000
     66      -9.0024      1.00000
     67      -8.8915      1.00000
     68      -8.8267      1.00000
     69      -8.7091      1.00000
     70      -8.6680      1.00000
     71      -8.5667      1.00000
     72      -8.5068      1.00000
     73      -8.4717      1.00000
     74      -8.4397      1.00000
     75      -8.3322      1.00000
     76      -8.1989      1.00000
     77      -8.0675      1.00000
     78      -7.9816      1.00000
     79      -7.9061      1.00000
     80      -7.8820      1.00000
     81      -7.6959      1.00000
     82      -7.5618      1.00000
     83      -7.4935      1.00000
     84      -6.9803      1.00000
     85      -6.9115      1.00000
     86      -6.8615      1.00000
     87      -6.7417      1.00000
     88      -6.5195      1.00000
     89      -6.4679      1.00000
     90      -6.3799      1.00000
     91      -6.1926      1.00000
     92      -5.9310      1.00000
     93      -5.7966      1.00000
     94      -5.7514      1.00000
     95      -5.5572      1.00000
     96      -5.3774      1.00000
     97      -5.2444      1.00000
     98      -5.1964      1.00000
     99      -5.1830      1.00000
    100      -5.1238      1.00000
    101      -4.8097      1.00000
    102      -4.5394      1.00000
    103      -4.4575      1.00000
    104      -4.2459      1.00000
    105      -3.5549      1.00000
    106      -3.2910      1.00000
    107      -2.9399      0.00000
    108      -2.3447      0.00000
    109      -1.1845      0.00000
    110      -1.1650      0.00000
    111      -1.1139      0.00000
    112      -1.0609      0.00000
    113      -0.5043      0.00000
    114      -0.4573      0.00000
    115      -0.2970      0.00000
    116      -0.2735      0.00000
    117      -0.0011      0.00000
    118       0.0340      0.00000
    119       0.5315      0.00000
    120       0.6421      0.00000
    121       0.8785      0.00000
    122       0.9748      0.00000
    123       1.1875      0.00000
    124       1.5271      0.00000
    125       1.7513      0.00000
    126       1.7716      0.00000
    127       2.0067      0.00000
    128       2.1027      0.00000
    129       2.1281      0.00000
    130       2.1428      0.00000
    131       2.2561      0.00000
    132       2.3041      0.00000
    133       2.3520      0.00000
    134       2.4575      0.00000
    135       2.6658      0.00000
    136       2.7549      0.00000
    137       2.7948      0.00000
    138       2.8772      0.00000
    139       2.9514      0.00000
    140       2.9910      0.00000
    141       3.0468      0.00000
    142       3.1037      0.00000
    143       3.1586      0.00000
    144       3.2294      0.00000
    145       3.2575      0.00000
    146       3.2920      0.00000
    147       3.3226      0.00000
    148       3.3466      0.00000
    149       3.3860      0.00000
    150       3.5269      0.00000
    151       3.5953      0.00000
    152       3.6591      0.00000
    153       3.6844      0.00000
    154       3.7040      0.00000
    155       3.7239      0.00000
    156       3.7865      0.00000
    157       3.9543      0.00000
    158       4.0508      0.00000
    159       4.1189      0.00000
    160       4.2521      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2606      1.00000
      2     -21.9024      1.00000
      3     -21.8640      1.00000
      4     -21.3398      1.00000
      5     -21.3040      1.00000
      6     -20.7838      1.00000
      7     -20.7454      1.00000
      8     -20.5794      1.00000
      9     -20.0490      1.00000
     10     -20.0134      1.00000
     11     -19.6820      1.00000
     12     -19.6469      1.00000
     13     -18.9697      1.00000
     14     -18.9321      1.00000
     15     -18.6141      1.00000
     16     -18.5771      1.00000
     17     -18.4182      1.00000
     18     -17.6338      1.00000
     19     -17.5873      1.00000
     20     -17.5673      1.00000
     21     -17.5496      1.00000
     22     -17.0997      1.00000
     23     -17.0570      1.00000
     24     -16.9399      1.00000
     25     -15.9831      1.00000
     26     -15.8718      1.00000
     27     -15.5676      1.00000
     28     -15.5296      1.00000
     29     -15.2328      1.00000
     30     -14.8501      1.00000
     31     -14.7932      1.00000
     32     -14.5384      1.00000
     33     -14.5008      1.00000
     34     -14.1308      1.00000
     35     -14.1185      1.00000
     36     -13.1571      1.00000
     37     -13.0502      1.00000
     38     -12.9961      1.00000
     39     -12.9770      1.00000
     40     -12.6996      1.00000
     41     -12.6550      1.00000
     42     -12.2978      1.00000
     43     -12.2819      1.00000
     44     -11.6217      1.00000
     45     -11.5882      1.00000
     46     -11.5277      1.00000
     47     -10.9237      1.00000
     48     -10.8996      1.00000
     49     -10.7132      1.00000
     50     -10.5660      1.00000
     51     -10.5356      1.00000
     52     -10.4691      1.00000
     53     -10.4263      1.00000
     54     -10.3670      1.00000
     55     -10.3147      1.00000
     56     -10.0353      1.00000
     57      -9.8712      1.00000
     58      -9.6014      1.00000
     59      -9.5216      1.00000
     60      -9.4545      1.00000
     61      -9.4087      1.00000
     62      -9.3713      1.00000
     63      -9.3411      1.00000
     64      -9.2978      1.00000
     65      -9.2470      1.00000
     66      -9.1363      1.00000
     67      -9.0905      1.00000
     68      -9.0731      1.00000
     69      -8.8516      1.00000
     70      -8.8361      1.00000
     71      -8.7036      1.00000
     72      -8.5608      1.00000
     73      -8.4385      1.00000
     74      -8.1972      1.00000
     75      -8.1737      1.00000
     76      -8.0386      1.00000
     77      -7.8672      1.00000
     78      -7.8034      1.00000
     79      -7.7698      1.00000
     80      -7.7190      1.00000
     81      -7.6782      1.00000
     82      -7.6427      1.00000
     83      -7.4474      1.00000
     84      -7.3090      1.00000
     85      -6.9189      1.00000
     86      -6.8920      1.00000
     87      -6.7755      1.00000
     88      -6.5583      1.00000
     89      -6.3882      1.00000
     90      -6.3243      1.00000
     91      -6.2786      1.00000
     92      -6.1713      1.00000
     93      -6.0685      1.00000
     94      -5.7833      1.00000
     95      -5.5329      1.00000
     96      -5.3569      1.00000
     97      -5.2054      1.00000
     98      -5.1784      1.00000
     99      -5.0308      1.00000
    100      -4.8141      1.00000
    101      -4.6703      1.00000
    102      -4.4933      1.00000
    103      -4.4313      1.00000
    104      -4.2372      1.00000
    105      -3.6331      1.00000
    106      -3.5464      1.00000
    107      -2.8465      0.00000
    108      -2.1364      0.00000
    109      -1.2474      0.00000
    110      -1.1895      0.00000
    111      -1.1792      0.00000
    112      -0.8850      0.00000
    113      -0.8688      0.00000
    114      -0.7864      0.00000
    115      -0.7541      0.00000
    116       0.1417      0.00000
    117       0.2428      0.00000
    118       0.3158      0.00000
    119       0.7155      0.00000
    120       0.8566      0.00000
    121       0.9362      0.00000
    122       1.1635      0.00000
    123       1.2557      0.00000
    124       1.5175      0.00000
    125       1.5659      0.00000
    126       1.7984      0.00000
    127       1.8801      0.00000
    128       1.8823      0.00000
    129       1.9575      0.00000
    130       2.0431      0.00000
    131       2.2157      0.00000
    132       2.3285      0.00000
    133       2.4155      0.00000
    134       2.4341      0.00000
    135       2.5753      0.00000
    136       2.6058      0.00000
    137       2.6641      0.00000
    138       2.7125      0.00000
    139       2.7459      0.00000
    140       2.8840      0.00000
    141       3.0321      0.00000
    142       3.1296      0.00000
    143       3.1897      0.00000
    144       3.2101      0.00000
    145       3.2345      0.00000
    146       3.2734      0.00000
    147       3.3147      0.00000
    148       3.4388      0.00000
    149       3.5279      0.00000
    150       3.6025      0.00000
    151       3.6923      0.00000
    152       3.6970      0.00000
    153       3.8510      0.00000
    154       3.9006      0.00000
    155       3.9224      0.00000
    156       3.9536      0.00000
    157       3.9983      0.00000
    158       4.0055      0.00000
    159       4.0685      0.00000
    160       4.1470      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3355      1.00000
      2     -21.7750      1.00000
      3     -21.5945      1.00000
      4     -21.5697      1.00000
      5     -21.2251      1.00000
      6     -21.1957      1.00000
      7     -21.0196      1.00000
      8     -20.1203      1.00000
      9     -20.0885      1.00000
     10     -19.5787      1.00000
     11     -19.5445      1.00000
     12     -19.3731      1.00000
     13     -19.0620      1.00000
     14     -19.0216      1.00000
     15     -19.0050      1.00000
     16     -18.9871      1.00000
     17     -18.3350      1.00000
     18     -18.3040      1.00000
     19     -17.9735      1.00000
     20     -17.0238      1.00000
     21     -16.9822      1.00000
     22     -16.9266      1.00000
     23     -16.9009      1.00000
     24     -16.4570      1.00000
     25     -16.4221      1.00000
     26     -15.5783      1.00000
     27     -15.5498      1.00000
     28     -15.2048      1.00000
     29     -15.1826      1.00000
     30     -15.1624      1.00000
     31     -15.0830      1.00000
     32     -15.0293      1.00000
     33     -14.6724      1.00000
     34     -14.6457      1.00000
     35     -13.7057      1.00000
     36     -13.6735      1.00000
     37     -13.2062      1.00000
     38     -12.6395      1.00000
     39     -12.5389      1.00000
     40     -12.4263      1.00000
     41     -12.4039      1.00000
     42     -12.0751      1.00000
     43     -12.0538      1.00000
     44     -11.6812      1.00000
     45     -11.6494      1.00000
     46     -11.2888      1.00000
     47     -11.1868      1.00000
     48     -10.9956      1.00000
     49     -10.9638      1.00000
     50     -10.8910      1.00000
     51     -10.8590      1.00000
     52     -10.5632      1.00000
     53     -10.2065      1.00000
     54     -10.1165      1.00000
     55     -10.0582      1.00000
     56      -9.8904      1.00000
     57      -9.6637      1.00000
     58      -9.6629      1.00000
     59      -9.6273      1.00000
     60      -9.6023      1.00000
     61      -9.5350      1.00000
     62      -9.4755      1.00000
     63      -9.3125      1.00000
     64      -9.2639      1.00000
     65      -9.2260      1.00000
     66      -9.1938      1.00000
     67      -9.0946      1.00000
     68      -9.0907      1.00000
     69      -9.0693      1.00000
     70      -8.9035      1.00000
     71      -8.8430      1.00000
     72      -8.5751      1.00000
     73      -8.5619      1.00000
     74      -8.1701      1.00000
     75      -8.0112      1.00000
     76      -7.9464      1.00000
     77      -7.8863      1.00000
     78      -7.7785      1.00000
     79      -7.7268      1.00000
     80      -7.7126      1.00000
     81      -7.4032      1.00000
     82      -7.2815      1.00000
     83      -7.2450      1.00000
     84      -7.2198      1.00000
     85      -7.1531      1.00000
     86      -6.9720      1.00000
     87      -6.8571      1.00000
     88      -6.6950      1.00000
     89      -6.6631      1.00000
     90      -6.5859      1.00000
     91      -6.1595      1.00000
     92      -6.0857      1.00000
     93      -6.0748      1.00000
     94      -5.9117      1.00000
     95      -5.8825      1.00000
     96      -5.3763      1.00000
     97      -5.1921      1.00000
     98      -4.8738      1.00000
     99      -4.8566      1.00000
    100      -4.6468      1.00000
    101      -4.5240      1.00000
    102      -4.3908      1.00000
    103      -4.2663      1.00000
    104      -4.0650      1.00000
    105      -4.0406      1.00000
    106      -3.5646      1.00000
    107      -2.8679      0.00000
    108      -1.7051      0.00000
    109      -1.6997      0.00000
    110      -1.3088      0.00000
    111      -1.2612      0.00000
    112      -1.2318      0.00000
    113      -1.2292      0.00000
    114      -0.5659      0.00000
    115      -0.2562      0.00000
    116      -0.1164      0.00000
    117       0.5818      0.00000
    118       0.6701      0.00000
    119       0.8069      0.00000
    120       0.9562      0.00000
    121       1.1400      0.00000
    122       1.2052      0.00000
    123       1.2788      0.00000
    124       1.4454      0.00000
    125       1.6142      0.00000
    126       1.6820      0.00000
    127       1.7657      0.00000
    128       1.7729      0.00000
    129       1.9115      0.00000
    130       1.9353      0.00000
    131       2.1802      0.00000
    132       2.1911      0.00000
    133       2.2274      0.00000
    134       2.4709      0.00000
    135       2.4915      0.00000
    136       2.5779      0.00000
    137       2.6304      0.00000
    138       2.7059      0.00000
    139       2.7991      0.00000
    140       2.8165      0.00000
    141       2.8604      0.00000
    142       2.9437      0.00000
    143       2.9712      0.00000
    144       3.0120      0.00000
    145       3.1312      0.00000
    146       3.3387      0.00000
    147       3.3703      0.00000
    148       3.4120      0.00000
    149       3.5742      0.00000
    150       3.5991      0.00000
    151       3.6331      0.00000
    152       3.6637      0.00000
    153       3.7742      0.00000
    154       3.7880      0.00000
    155       3.9934      0.00000
    156       4.0293      0.00000
    157       4.0383      0.00000
    158       4.1100      0.00000
    159       4.2268      0.00000
    160       4.3433      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1196      1.00000
      2     -22.1020      1.00000
      3     -21.9174      1.00000
      4     -21.3603      1.00000
      5     -20.9932      1.00000
      6     -20.9811      1.00000
      7     -20.4419      1.00000
      8     -20.4277      1.00000
      9     -20.2477      1.00000
     10     -20.2460      1.00000
     11     -19.8905      1.00000
     12     -19.8754      1.00000
     13     -18.8246      1.00000
     14     -18.7970      1.00000
     15     -18.2836      1.00000
     16     -18.2781      1.00000
     17     -18.1138      1.00000
     18     -18.1069      1.00000
     19     -17.7656      1.00000
     20     -17.7617      1.00000
     21     -17.2316      1.00000
     22     -17.2031      1.00000
     23     -17.1142      1.00000
     24     -17.1013      1.00000
     25     -16.0916      1.00000
     26     -15.8341      1.00000
     27     -15.8238      1.00000
     28     -15.8076      1.00000
     29     -15.1831      1.00000
     30     -14.5141      1.00000
     31     -14.5005      1.00000
     32     -14.2286      1.00000
     33     -13.9635      1.00000
     34     -13.9246      1.00000
     35     -13.7902      1.00000
     36     -13.7771      1.00000
     37     -13.5603      1.00000
     38     -13.5413      1.00000
     39     -13.3303      1.00000
     40     -12.6107      1.00000
     41     -12.1312      1.00000
     42     -12.1203      1.00000
     43     -12.0100      1.00000
     44     -11.9919      1.00000
     45     -11.6505      1.00000
     46     -11.6349      1.00000
     47     -11.1416      1.00000
     48     -11.1044      1.00000
     49     -10.7644      1.00000
     50     -10.7052      1.00000
     51     -10.4435      1.00000
     52     -10.1723      1.00000
     53     -10.1648      1.00000
     54     -10.1488      1.00000
     55     -10.0029      1.00000
     56      -9.9629      1.00000
     57      -9.9373      1.00000
     58      -9.8139      1.00000
     59      -9.7639      1.00000
     60      -9.7442      1.00000
     61      -9.7290      1.00000
     62      -9.4367      1.00000
     63      -9.3336      1.00000
     64      -9.0775      1.00000
     65      -9.0395      1.00000
     66      -8.9702      1.00000
     67      -8.9409      1.00000
     68      -8.8023      1.00000
     69      -8.6824      1.00000
     70      -8.6660      1.00000
     71      -8.5507      1.00000
     72      -8.5186      1.00000
     73      -8.4446      1.00000
     74      -8.4383      1.00000
     75      -8.3006      1.00000
     76      -8.2318      1.00000
     77      -8.1079      1.00000
     78      -8.0490      1.00000
     79      -8.0249      1.00000
     80      -7.7877      1.00000
     81      -7.6023      1.00000
     82      -7.5935      1.00000
     83      -7.4634      1.00000
     84      -7.0009      1.00000
     85      -6.9464      1.00000
     86      -6.8609      1.00000
     87      -6.5763      1.00000
     88      -6.5440      1.00000
     89      -6.4595      1.00000
     90      -6.4094      1.00000
     91      -6.3310      1.00000
     92      -5.9856      1.00000
     93      -5.7698      1.00000
     94      -5.7281      1.00000
     95      -5.5592      1.00000
     96      -5.3800      1.00000
     97      -5.2044      1.00000
     98      -5.2008      1.00000
     99      -5.1789      1.00000
    100      -5.1571      1.00000
    101      -4.6500      1.00000
    102      -4.5015      1.00000
    103      -4.4422      1.00000
    104      -4.3849      1.00000
    105      -3.5723      1.00000
    106      -3.4321      1.00000
    107      -2.7350      0.00000
    108      -2.4087      0.00000
    109      -1.1665      0.00000
    110      -1.1561      0.00000
    111      -1.1487      0.00000
    112      -1.0539      0.00000
    113      -0.4889      0.00000
    114      -0.4791      0.00000
    115      -0.3248      0.00000
    116      -0.2487      0.00000
    117       0.0057      0.00000
    118       0.0087      0.00000
    119       0.5210      0.00000
    120       0.6624      0.00000
    121       0.8151      0.00000
    122       1.0046      0.00000
    123       1.2393      0.00000
    124       1.4910      0.00000
    125       1.7599      0.00000
    126       1.9506      0.00000
    127       1.9553      0.00000
    128       2.0248      0.00000
    129       2.0800      0.00000
    130       2.1777      0.00000
    131       2.2858      0.00000
    132       2.2918      0.00000
    133       2.3514      0.00000
    134       2.5557      0.00000
    135       2.6347      0.00000
    136       2.6794      0.00000
    137       2.8484      0.00000
    138       2.8885      0.00000
    139       2.9611      0.00000
    140       2.9663      0.00000
    141       3.1210      0.00000
    142       3.1394      0.00000
    143       3.1441      0.00000
    144       3.1800      0.00000
    145       3.2411      0.00000
    146       3.2450      0.00000
    147       3.3331      0.00000
    148       3.3567      0.00000
    149       3.3886      0.00000
    150       3.4076      0.00000
    151       3.5078      0.00000
    152       3.6237      0.00000
    153       3.6793      0.00000
    154       3.6864      0.00000
    155       3.8334      0.00000
    156       3.9059      0.00000
    157       3.9645      0.00000
    158       3.9875      0.00000
    159       4.1086      0.00000
    160       4.1963      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2229      1.00000
      2     -22.0348      1.00000
      3     -21.6702      1.00000
      4     -21.6444      1.00000
      5     -20.9292      1.00000
      6     -20.8988      1.00000
      7     -20.5595      1.00000
      8     -20.5391      1.00000
      9     -20.5287      1.00000
     10     -19.9918      1.00000
     11     -19.4688      1.00000
     12     -19.4359      1.00000
     13     -19.2827      1.00000
     14     -19.2556      1.00000
     15     -18.3999      1.00000
     16     -18.3681      1.00000
     17     -17.8989      1.00000
     18     -17.8666      1.00000
     19     -17.7150      1.00000
     20     -17.6809      1.00000
     21     -17.4139      1.00000
     22     -17.3831      1.00000
     23     -17.2938      1.00000
     24     -16.4566      1.00000
     25     -16.4173      1.00000
     26     -15.9360      1.00000
     27     -15.3816      1.00000
     28     -15.3537      1.00000
     29     -15.0700      1.00000
     30     -15.0404      1.00000
     31     -14.8102      1.00000
     32     -14.7888      1.00000
     33     -14.2856      1.00000
     34     -14.2142      1.00000
     35     -13.4426      1.00000
     36     -13.3601      1.00000
     37     -13.1542      1.00000
     38     -13.1225      1.00000
     39     -12.9611      1.00000
     40     -12.9307      1.00000
     41     -12.5879      1.00000
     42     -12.5607      1.00000
     43     -12.1720      1.00000
     44     -11.5386      1.00000
     45     -11.5028      1.00000
     46     -11.2768      1.00000
     47     -11.2483      1.00000
     48     -11.1291      1.00000
     49     -10.7684      1.00000
     50     -10.6282      1.00000
     51     -10.4507      1.00000
     52     -10.2808      1.00000
     53     -10.2738      1.00000
     54     -10.1673      1.00000
     55     -10.0913      1.00000
     56     -10.0576      1.00000
     57      -9.8059      1.00000
     58      -9.7035      1.00000
     59      -9.6897      1.00000
     60      -9.6826      1.00000
     61      -9.6703      1.00000
     62      -9.6052      1.00000
     63      -9.3433      1.00000
     64      -9.3161      1.00000
     65      -9.2917      1.00000
     66      -8.9691      1.00000
     67      -8.9286      1.00000
     68      -8.8790      1.00000
     69      -8.7480      1.00000
     70      -8.5644      1.00000
     71      -8.4838      1.00000
     72      -8.4005      1.00000
     73      -8.3618      1.00000
     74      -8.2852      1.00000
     75      -8.2392      1.00000
     76      -8.2265      1.00000
     77      -8.2119      1.00000
     78      -8.1968      1.00000
     79      -7.9939      1.00000
     80      -7.7798      1.00000
     81      -7.4126      1.00000
     82      -7.3167      1.00000
     83      -7.2375      1.00000
     84      -7.1405      1.00000
     85      -7.0963      1.00000
     86      -6.9571      1.00000
     87      -6.9097      1.00000
     88      -6.5889      1.00000
     89      -6.5546      1.00000
     90      -6.4340      1.00000
     91      -6.2515      1.00000
     92      -5.9035      1.00000
     93      -5.8229      1.00000
     94      -5.6755      1.00000
     95      -5.5845      1.00000
     96      -5.2948      1.00000
     97      -5.2600      1.00000
     98      -5.1852      1.00000
     99      -5.1845      1.00000
    100      -5.1611      1.00000
    101      -4.5223      1.00000
    102      -4.4554      1.00000
    103      -4.3979      1.00000
    104      -4.0771      1.00000
    105      -3.9291      1.00000
    106      -3.5179      1.00000
    107      -2.8174      0.00000
    108      -1.8056      0.00000
    109      -1.7937      0.00000
    110      -1.0768      0.00000
    111      -1.0120      0.00000
    112      -0.9283      0.00000
    113      -0.6565      0.00000
    114      -0.6059      0.00000
    115      -0.5698      0.00000
    116      -0.5299      0.00000
    117       0.1595      0.00000
    118       0.2631      0.00000
    119       0.7058      0.00000
    120       0.9732      0.00000
    121       1.0925      0.00000
    122       1.2550      0.00000
    123       1.4191      0.00000
    124       1.5314      0.00000
    125       1.5972      0.00000
    126       1.6187      0.00000
    127       1.6472      0.00000
    128       1.8396      0.00000
    129       1.9309      0.00000
    130       2.1066      0.00000
    131       2.1956      0.00000
    132       2.3332      0.00000
    133       2.3721      0.00000
    134       2.4671      0.00000
    135       2.5989      0.00000
    136       2.6589      0.00000
    137       2.7250      0.00000
    138       2.7382      0.00000
    139       2.8421      0.00000
    140       2.9460      0.00000
    141       3.0447      0.00000
    142       3.0689      0.00000
    143       3.1877      0.00000
    144       3.2813      0.00000
    145       3.3308      0.00000
    146       3.3336      0.00000
    147       3.4608      0.00000
    148       3.5251      0.00000
    149       3.5608      0.00000
    150       3.6001      0.00000
    151       3.6132      0.00000
    152       3.6857      0.00000
    153       3.7289      0.00000
    154       3.7611      0.00000
    155       3.7658      0.00000
    156       3.8405      0.00000
    157       3.9212      0.00000
    158       3.9968      0.00000
    159       4.0258      0.00000
    160       4.2678      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3731      1.00000
      2     -21.5060      1.00000
      3     -21.4310      1.00000
      4     -21.4307      1.00000
      5     -21.4191      1.00000
      6     -21.4089      1.00000
      7     -21.4047      1.00000
      8     -19.6672      1.00000
      9     -19.5976      1.00000
     10     -19.5925      1.00000
     11     -19.5809      1.00000
     12     -19.5689      1.00000
     13     -19.5657      1.00000
     14     -18.7663      1.00000
     15     -18.7037      1.00000
     16     -18.6967      1.00000
     17     -18.6835      1.00000
     18     -18.6756      1.00000
     19     -18.6703      1.00000
     20     -16.6328      1.00000
     21     -16.5502      1.00000
     22     -16.5441      1.00000
     23     -16.5358      1.00000
     24     -16.5264      1.00000
     25     -16.5222      1.00000
     26     -15.6078      1.00000
     27     -15.5663      1.00000
     28     -15.5240      1.00000
     29     -15.5222      1.00000
     30     -15.5201      1.00000
     31     -15.5164      1.00000
     32     -14.2565      1.00000
     33     -14.2213      1.00000
     34     -14.1954      1.00000
     35     -14.1947      1.00000
     36     -14.1769      1.00000
     37     -14.1714      1.00000
     38     -11.9854      1.00000
     39     -11.8729      1.00000
     40     -11.8249      1.00000
     41     -11.8100      1.00000
     42     -11.8087      1.00000
     43     -11.8027      1.00000
     44     -11.7295      1.00000
     45     -11.7240      1.00000
     46     -11.7058      1.00000
     47     -11.6974      1.00000
     48     -11.6909      1.00000
     49     -11.6826      1.00000
     50     -10.6446      1.00000
     51     -10.3752      1.00000
     52     -10.3583      1.00000
     53     -10.3370      1.00000
     54     -10.3287      1.00000
     55     -10.3210      1.00000
     56     -10.2967      1.00000
     57      -9.7926      1.00000
     58      -9.4115      1.00000
     59      -9.3917      1.00000
     60      -9.3534      1.00000
     61      -9.3429      1.00000
     62      -9.3333      1.00000
     63      -9.1754      1.00000
     64      -9.0804      1.00000
     65      -9.0770      1.00000
     66      -9.0636      1.00000
     67      -9.0595      1.00000
     68      -9.0326      1.00000
     69      -9.0298      1.00000
     70      -9.0264      1.00000
     71      -9.0136      1.00000
     72      -9.0041      1.00000
     73      -8.9948      1.00000
     74      -8.9744      1.00000
     75      -7.9871      1.00000
     76      -7.7014      1.00000
     77      -7.5080      1.00000
     78      -7.4854      1.00000
     79      -7.4623      1.00000
     80      -7.4118      1.00000
     81      -7.3964      1.00000
     82      -7.3780      1.00000
     83      -7.3468      1.00000
     84      -7.2248      1.00000
     85      -7.1826      1.00000
     86      -7.1779      1.00000
     87      -7.1747      1.00000
     88      -6.6144      1.00000
     89      -6.5778      1.00000
     90      -6.3666      1.00000
     91      -6.3574      1.00000
     92      -6.3181      1.00000
     93      -6.2939      1.00000
     94      -5.9421      1.00000
     95      -5.8959      1.00000
     96      -5.3608      1.00000
     97      -5.1940      1.00000
     98      -4.8404      1.00000
     99      -4.7159      1.00000
    100      -4.3638      1.00000
    101      -4.3578      1.00000
    102      -4.3467      1.00000
    103      -4.3357      1.00000
    104      -4.1693      1.00000
    105      -3.9336      1.00000
    106      -3.5930      1.00000
    107      -2.9234      0.00000
    108      -1.5533      0.00000
    109      -1.5509      0.00000
    110      -1.5378      0.00000
    111      -1.5377      0.00000
    112      -1.4800      0.00000
    113      -1.4648      0.00000
    114       0.0752      0.00000
    115       0.2361      0.00000
    116       0.2818      0.00000
    117       0.3012      0.00000
    118       0.3053      0.00000
    119       0.3721      0.00000
    120       0.6089      0.00000
    121       1.2656      0.00000
    122       1.3573      0.00000
    123       1.6916      0.00000
    124       1.7539      0.00000
    125       1.7768      0.00000
    126       1.7820      0.00000
    127       1.8454      0.00000
    128       1.8716      0.00000
    129       1.9994      0.00000
    130       2.0043      0.00000
    131       2.0157      0.00000
    132       2.0211      0.00000
    133       2.0228      0.00000
    134       2.0813      0.00000
    135       2.3073      0.00000
    136       2.4583      0.00000
    137       2.5750      0.00000
    138       2.5805      0.00000
    139       2.6141      0.00000
    140       2.7353      0.00000
    141       2.8270      0.00000
    142       3.0199      0.00000
    143       3.0278      0.00000
    144       3.0445      0.00000
    145       3.0553      0.00000
    146       3.0843      0.00000
    147       3.1051      0.00000
    148       3.4399      0.00000
    149       3.5366      0.00000
    150       3.5783      0.00000
    151       3.8908      0.00000
    152       3.8988      0.00000
    153       3.9395      0.00000
    154       3.9513      0.00000
    155       3.9786      0.00000
    156       4.0444      0.00000
    157       4.1580      0.00000
    158       4.2042      0.00000
    159       4.2503      0.00000
    160       4.2519      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3356      1.00000
      2     -21.7732      1.00000
      3     -21.5988      1.00000
      4     -21.5676      1.00000
      5     -21.2236      1.00000
      6     -21.1949      1.00000
      7     -21.0216      1.00000
      8     -20.1211      1.00000
      9     -20.0880      1.00000
     10     -19.5727      1.00000
     11     -19.5456      1.00000
     12     -19.3796      1.00000
     13     -19.0515      1.00000
     14     -19.0196      1.00000
     15     -19.0065      1.00000
     16     -18.9951      1.00000
     17     -18.3290      1.00000
     18     -18.3045      1.00000
     19     -17.9830      1.00000
     20     -17.0374      1.00000
     21     -16.9851      1.00000
     22     -16.9195      1.00000
     23     -16.8980      1.00000
     24     -16.4378      1.00000
     25     -16.4148      1.00000
     26     -15.5899      1.00000
     27     -15.5583      1.00000
     28     -15.2362      1.00000
     29     -15.1970      1.00000
     30     -15.1338      1.00000
     31     -15.0599      1.00000
     32     -15.0300      1.00000
     33     -14.6692      1.00000
     34     -14.6513      1.00000
     35     -13.7064      1.00000
     36     -13.6809      1.00000
     37     -13.2037      1.00000
     38     -12.5998      1.00000
     39     -12.5418      1.00000
     40     -12.4202      1.00000
     41     -12.4057      1.00000
     42     -12.1111      1.00000
     43     -12.0689      1.00000
     44     -11.6960      1.00000
     45     -11.6469      1.00000
     46     -11.2339      1.00000
     47     -11.1911      1.00000
     48     -11.0086      1.00000
     49     -10.9737      1.00000
     50     -10.9096      1.00000
     51     -10.8663      1.00000
     52     -10.5309      1.00000
     53     -10.1292      1.00000
     54     -10.1244      1.00000
     55     -10.0823      1.00000
     56      -9.9203      1.00000
     57      -9.7074      1.00000
     58      -9.6723      1.00000
     59      -9.6122      1.00000
     60      -9.5839      1.00000
     61      -9.5418      1.00000
     62      -9.4807      1.00000
     63      -9.2989      1.00000
     64      -9.2770      1.00000
     65      -9.2288      1.00000
     66      -9.1755      1.00000
     67      -9.1119      1.00000
     68      -9.0775      1.00000
     69      -9.0651      1.00000
     70      -8.9058      1.00000
     71      -8.8451      1.00000
     72      -8.6016      1.00000
     73      -8.5669      1.00000
     74      -8.1238      1.00000
     75      -8.0460      1.00000
     76      -7.9500      1.00000
     77      -7.8301      1.00000
     78      -7.7920      1.00000
     79      -7.7318      1.00000
     80      -7.6927      1.00000
     81      -7.3498      1.00000
     82      -7.3342      1.00000
     83      -7.3282      1.00000
     84      -7.2710      1.00000
     85      -7.0664      1.00000
     86      -6.9811      1.00000
     87      -6.8258      1.00000
     88      -6.7508      1.00000
     89      -6.6435      1.00000
     90      -6.5650      1.00000
     91      -6.1382      1.00000
     92      -6.1071      1.00000
     93      -6.0922      1.00000
     94      -5.9668      1.00000
     95      -5.7357      1.00000
     96      -5.3970      1.00000
     97      -5.2088      1.00000
     98      -4.9407      1.00000
     99      -4.7996      1.00000
    100      -4.6385      1.00000
    101      -4.5378      1.00000
    102      -4.4858      1.00000
    103      -4.3647      1.00000
    104      -4.0457      1.00000
    105      -3.8150      1.00000
    106      -3.5703      1.00000
    107      -2.9456      0.00000
    108      -1.7196      0.00000
    109      -1.6765      0.00000
    110      -1.2944      0.00000
    111      -1.2722      0.00000
    112      -1.2464      0.00000
    113      -1.2148      0.00000
    114      -0.5619      0.00000
    115      -0.1904      0.00000
    116      -0.1718      0.00000
    117       0.6268      0.00000
    118       0.6734      0.00000
    119       0.7262      0.00000
    120       0.9843      0.00000
    121       1.1157      0.00000
    122       1.2389      0.00000
    123       1.3353      0.00000
    124       1.4372      0.00000
    125       1.4926      0.00000
    126       1.7351      0.00000
    127       1.7563      0.00000
    128       1.7965      0.00000
    129       1.8523      0.00000
    130       1.9483      0.00000
    131       2.1632      0.00000
    132       2.2044      0.00000
    133       2.2465      0.00000
    134       2.4259      0.00000
    135       2.5058      0.00000
    136       2.5972      0.00000
    137       2.6842      0.00000
    138       2.6926      0.00000
    139       2.7672      0.00000
    140       2.7906      0.00000
    141       2.8439      0.00000
    142       2.8536      0.00000
    143       2.9838      0.00000
    144       3.0452      0.00000
    145       3.2571      0.00000
    146       3.3433      0.00000
    147       3.3581      0.00000
    148       3.4405      0.00000
    149       3.5134      0.00000
    150       3.5621      0.00000
    151       3.6428      0.00000
    152       3.7170      0.00000
    153       3.7535      0.00000
    154       3.9216      0.00000
    155       3.9487      0.00000
    156       4.0226      0.00000
    157       4.0686      0.00000
    158       4.1504      0.00000
    159       4.2325      0.00000
    160       4.2636      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2240      1.00000
      2     -22.0326      1.00000
      3     -21.6732      1.00000
      4     -21.6426      1.00000
      5     -20.9297      1.00000
      6     -20.8980      1.00000
      7     -20.5692      1.00000
      8     -20.5344      1.00000
      9     -20.5249      1.00000
     10     -19.9928      1.00000
     11     -19.4671      1.00000
     12     -19.4376      1.00000
     13     -19.2751      1.00000
     14     -19.2549      1.00000
     15     -18.4078      1.00000
     16     -18.3690      1.00000
     17     -17.8966      1.00000
     18     -17.8657      1.00000
     19     -17.7194      1.00000
     20     -17.6838      1.00000
     21     -17.4095      1.00000
     22     -17.3834      1.00000
     23     -17.3068      1.00000
     24     -16.4328      1.00000
     25     -16.4125      1.00000
     26     -15.9193      1.00000
     27     -15.3889      1.00000
     28     -15.3604      1.00000
     29     -15.0726      1.00000
     30     -15.0466      1.00000
     31     -14.8388      1.00000
     32     -14.8050      1.00000
     33     -14.2557      1.00000
     34     -14.2165      1.00000
     35     -13.4139      1.00000
     36     -13.3627      1.00000
     37     -13.1605      1.00000
     38     -13.1314      1.00000
     39     -12.9374      1.00000
     40     -12.9285      1.00000
     41     -12.6034      1.00000
     42     -12.5710      1.00000
     43     -12.1716      1.00000
     44     -11.5633      1.00000
     45     -11.5028      1.00000
     46     -11.3007      1.00000
     47     -11.2497      1.00000
     48     -11.1231      1.00000
     49     -10.6811      1.00000
     50     -10.6342      1.00000
     51     -10.4487      1.00000
     52     -10.2910      1.00000
     53     -10.2754      1.00000
     54     -10.1606      1.00000
     55     -10.0850      1.00000
     56     -10.0707      1.00000
     57      -9.7891      1.00000
     58      -9.7431      1.00000
     59      -9.6951      1.00000
     60      -9.6743      1.00000
     61      -9.6626      1.00000
     62      -9.5985      1.00000
     63      -9.3386      1.00000
     64      -9.3235      1.00000
     65      -9.2859      1.00000
     66      -9.0301      1.00000
     67      -8.9356      1.00000
     68      -8.8426      1.00000
     69      -8.7618      1.00000
     70      -8.5914      1.00000
     71      -8.4959      1.00000
     72      -8.3705      1.00000
     73      -8.3641      1.00000
     74      -8.3042      1.00000
     75      -8.2453      1.00000
     76      -8.2435      1.00000
     77      -8.2229      1.00000
     78      -8.1960      1.00000
     79      -7.8730      1.00000
     80      -7.7458      1.00000
     81      -7.3725      1.00000
     82      -7.3166      1.00000
     83      -7.2994      1.00000
     84      -7.2083      1.00000
     85      -7.1817      1.00000
     86      -6.9501      1.00000
     87      -6.9318      1.00000
     88      -6.5923      1.00000
     89      -6.5409      1.00000
     90      -6.2648      1.00000
     91      -6.2012      1.00000
     92      -5.9830      1.00000
     93      -5.8156      1.00000
     94      -5.6702      1.00000
     95      -5.5150      1.00000
     96      -5.3316      1.00000
     97      -5.3066      1.00000
     98      -5.1930      1.00000
     99      -5.1911      1.00000
    100      -5.1092      1.00000
    101      -4.6899      1.00000
    102      -4.5496      1.00000
    103      -4.4512      1.00000
    104      -3.9155      1.00000
    105      -3.7078      1.00000
    106      -3.5361      1.00000
    107      -2.9678      0.00000
    108      -1.8182      0.00000
    109      -1.7631      0.00000
    110      -1.0876      0.00000
    111      -0.9711      0.00000
    112      -0.9432      0.00000
    113      -0.6488      0.00000
    114      -0.6045      0.00000
    115      -0.5700      0.00000
    116      -0.5330      0.00000
    117       0.1745      0.00000
    118       0.2558      0.00000
    119       0.7843      0.00000
    120       1.0022      0.00000
    121       1.1125      0.00000
    122       1.1668      0.00000
    123       1.3549      0.00000
    124       1.4761      0.00000
    125       1.5893      0.00000
    126       1.5947      0.00000
    127       1.6735      0.00000
    128       1.8975      0.00000
    129       1.9412      0.00000
    130       2.0207      0.00000
    131       2.1773      0.00000
    132       2.3384      0.00000
    133       2.3850      0.00000
    134       2.4055      0.00000
    135       2.5950      0.00000
    136       2.6784      0.00000
    137       2.7297      0.00000
    138       2.7704      0.00000
    139       2.8281      0.00000
    140       2.9987      0.00000
    141       3.0462      0.00000
    142       3.0734      0.00000
    143       3.1326      0.00000
    144       3.2491      0.00000
    145       3.3248      0.00000
    146       3.3758      0.00000
    147       3.4429      0.00000
    148       3.5360      0.00000
    149       3.5693      0.00000
    150       3.5986      0.00000
    151       3.6672      0.00000
    152       3.6960      0.00000
    153       3.7521      0.00000
    154       3.7755      0.00000
    155       3.7847      0.00000
    156       3.9231      0.00000
    157       3.9264      0.00000
    158       4.0253      0.00000
    159       4.2021      0.00000
    160       4.2640      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2610      1.00000
      2     -21.8900      1.00000
      3     -21.8763      1.00000
      4     -21.3280      1.00000
      5     -21.3156      1.00000
      6     -20.7729      1.00000
      7     -20.7572      1.00000
      8     -20.5804      1.00000
      9     -20.0307      1.00000
     10     -20.0282      1.00000
     11     -19.6733      1.00000
     12     -19.6584      1.00000
     13     -18.9496      1.00000
     14     -18.9494      1.00000
     15     -18.5931      1.00000
     16     -18.5930      1.00000
     17     -18.4204      1.00000
     18     -17.6456      1.00000
     19     -17.5893      1.00000
     20     -17.5677      1.00000
     21     -17.5623      1.00000
     22     -17.0743      1.00000
     23     -17.0733      1.00000
     24     -16.9194      1.00000
     25     -15.9533      1.00000
     26     -15.9043      1.00000
     27     -15.5497      1.00000
     28     -15.5330      1.00000
     29     -15.2694      1.00000
     30     -14.8183      1.00000
     31     -14.7957      1.00000
     32     -14.5437      1.00000
     33     -14.5124      1.00000
     34     -14.1312      1.00000
     35     -14.1263      1.00000
     36     -13.1058      1.00000
     37     -13.0446      1.00000
     38     -13.0206      1.00000
     39     -12.9892      1.00000
     40     -12.6785      1.00000
     41     -12.6764      1.00000
     42     -12.2886      1.00000
     43     -12.2811      1.00000
     44     -11.6523      1.00000
     45     -11.5982      1.00000
     46     -11.5395      1.00000
     47     -10.9407      1.00000
     48     -10.8907      1.00000
     49     -10.6391      1.00000
     50     -10.5988      1.00000
     51     -10.4750      1.00000
     52     -10.4636      1.00000
     53     -10.4077      1.00000
     54     -10.4047      1.00000
     55     -10.3190      1.00000
     56     -10.0412      1.00000
     57      -9.8766      1.00000
     58      -9.5904      1.00000
     59      -9.5256      1.00000
     60      -9.5032      1.00000
     61      -9.3775      1.00000
     62      -9.3738      1.00000
     63      -9.3445      1.00000
     64      -9.2950      1.00000
     65      -9.2425      1.00000
     66      -9.1690      1.00000
     67      -9.1248      1.00000
     68      -9.0824      1.00000
     69      -8.8441      1.00000
     70      -8.8233      1.00000
     71      -8.6824      1.00000
     72      -8.5754      1.00000
     73      -8.4206      1.00000
     74      -8.1988      1.00000
     75      -8.1518      1.00000
     76      -7.9725      1.00000
     77      -7.8847      1.00000
     78      -7.8219      1.00000
     79      -7.7964      1.00000
     80      -7.7672      1.00000
     81      -7.6779      1.00000
     82      -7.6218      1.00000
     83      -7.4109      1.00000
     84      -7.3515      1.00000
     85      -6.8998      1.00000
     86      -6.8909      1.00000
     87      -6.7310      1.00000
     88      -6.6477      1.00000
     89      -6.4111      1.00000
     90      -6.3323      1.00000
     91      -6.2891      1.00000
     92      -6.1816      1.00000
     93      -5.9741      1.00000
     94      -5.5827      1.00000
     95      -5.4783      1.00000
     96      -5.4125      1.00000
     97      -5.3720      1.00000
     98      -5.1952      1.00000
     99      -5.1083      1.00000
    100      -4.7531      1.00000
    101      -4.7042      1.00000
    102      -4.5695      1.00000
    103      -4.4196      1.00000
    104      -4.2020      1.00000
    105      -3.5539      1.00000
    106      -3.3957      1.00000
    107      -3.0508      0.00000
    108      -2.1036      0.00000
    109      -1.2447      0.00000
    110      -1.2051      0.00000
    111      -1.1769      0.00000
    112      -0.9341      0.00000
    113      -0.8351      0.00000
    114      -0.7853      0.00000
    115      -0.7036      0.00000
    116       0.1973      0.00000
    117       0.2026      0.00000
    118       0.3053      0.00000
    119       0.7626      0.00000
    120       0.8207      0.00000
    121       0.9113      0.00000
    122       1.1144      0.00000
    123       1.3250      0.00000
    124       1.5031      0.00000
    125       1.5715      0.00000
    126       1.8057      0.00000
    127       1.8321      0.00000
    128       1.8669      0.00000
    129       1.9617      0.00000
    130       1.9691      0.00000
    131       2.2479      0.00000
    132       2.3943      0.00000
    133       2.4067      0.00000
    134       2.4205      0.00000
    135       2.5557      0.00000
    136       2.5789      0.00000
    137       2.6285      0.00000
    138       2.7090      0.00000
    139       2.7339      0.00000
    140       2.9548      0.00000
    141       3.0466      0.00000
    142       3.1220      0.00000
    143       3.1801      0.00000
    144       3.2173      0.00000
    145       3.2220      0.00000
    146       3.3053      0.00000
    147       3.3209      0.00000
    148       3.5047      0.00000
    149       3.5112      0.00000
    150       3.6236      0.00000
    151       3.6913      0.00000
    152       3.7048      0.00000
    153       3.7916      0.00000
    154       3.9242      0.00000
    155       3.9680      0.00000
    156       3.9732      0.00000
    157       3.9885      0.00000
    158       3.9996      0.00000
    159       4.0297      0.00000
    160       4.1375      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1295      1.00000
      2     -22.0902      1.00000
      3     -21.9192      1.00000
      4     -21.3597      1.00000
      5     -21.0054      1.00000
      6     -20.9693      1.00000
      7     -20.4537      1.00000
      8     -20.4155      1.00000
      9     -20.2625      1.00000
     10     -20.2326      1.00000
     11     -19.9015      1.00000
     12     -19.8634      1.00000
     13     -18.8285      1.00000
     14     -18.7847      1.00000
     15     -18.3132      1.00000
     16     -18.2628      1.00000
     17     -18.1224      1.00000
     18     -18.0927      1.00000
     19     -17.7867      1.00000
     20     -17.7477      1.00000
     21     -17.2272      1.00000
     22     -17.1938      1.00000
     23     -17.1341      1.00000
     24     -17.0939      1.00000
     25     -16.0595      1.00000
     26     -15.8594      1.00000
     27     -15.8232      1.00000
     28     -15.7893      1.00000
     29     -15.2104      1.00000
     30     -14.5304      1.00000
     31     -14.4851      1.00000
     32     -14.2545      1.00000
     33     -13.9317      1.00000
     34     -13.9195      1.00000
     35     -13.7934      1.00000
     36     -13.7630      1.00000
     37     -13.5830      1.00000
     38     -13.5349      1.00000
     39     -13.3244      1.00000
     40     -12.5861      1.00000
     41     -12.1758      1.00000
     42     -12.1017      1.00000
     43     -12.0352      1.00000
     44     -11.9904      1.00000
     45     -11.6583      1.00000
     46     -11.6233      1.00000
     47     -11.1380      1.00000
     48     -11.0837      1.00000
     49     -10.7809      1.00000
     50     -10.7039      1.00000
     51     -10.4056      1.00000
     52     -10.1962      1.00000
     53     -10.1679      1.00000
     54     -10.1279      1.00000
     55      -9.9949      1.00000
     56      -9.9836      1.00000
     57      -9.9418      1.00000
     58      -9.7941      1.00000
     59      -9.7748      1.00000
     60      -9.7415      1.00000
     61      -9.7224      1.00000
     62      -9.4371      1.00000
     63      -9.3358      1.00000
     64      -9.0895      1.00000
     65      -9.0481      1.00000
     66      -9.0024      1.00000
     67      -8.8915      1.00000
     68      -8.8267      1.00000
     69      -8.7091      1.00000
     70      -8.6680      1.00000
     71      -8.5667      1.00000
     72      -8.5068      1.00000
     73      -8.4717      1.00000
     74      -8.4397      1.00000
     75      -8.3322      1.00000
     76      -8.1989      1.00000
     77      -8.0675      1.00000
     78      -7.9816      1.00000
     79      -7.9061      1.00000
     80      -7.8820      1.00000
     81      -7.6959      1.00000
     82      -7.5618      1.00000
     83      -7.4935      1.00000
     84      -6.9803      1.00000
     85      -6.9115      1.00000
     86      -6.8615      1.00000
     87      -6.7417      1.00000
     88      -6.5195      1.00000
     89      -6.4679      1.00000
     90      -6.3799      1.00000
     91      -6.1926      1.00000
     92      -5.9310      1.00000
     93      -5.7966      1.00000
     94      -5.7514      1.00000
     95      -5.5572      1.00000
     96      -5.3774      1.00000
     97      -5.2444      1.00000
     98      -5.1964      1.00000
     99      -5.1830      1.00000
    100      -5.1238      1.00000
    101      -4.8097      1.00000
    102      -4.5394      1.00000
    103      -4.4575      1.00000
    104      -4.2459      1.00000
    105      -3.5549      1.00000
    106      -3.2910      1.00000
    107      -2.9399      0.00000
    108      -2.3447      0.00000
    109      -1.1845      0.00000
    110      -1.1650      0.00000
    111      -1.1139      0.00000
    112      -1.0609      0.00000
    113      -0.5043      0.00000
    114      -0.4573      0.00000
    115      -0.2970      0.00000
    116      -0.2735      0.00000
    117      -0.0011      0.00000
    118       0.0340      0.00000
    119       0.5315      0.00000
    120       0.6421      0.00000
    121       0.8785      0.00000
    122       0.9748      0.00000
    123       1.1875      0.00000
    124       1.5271      0.00000
    125       1.7513      0.00000
    126       1.7716      0.00000
    127       2.0066      0.00000
    128       2.1026      0.00000
    129       2.1281      0.00000
    130       2.1427      0.00000
    131       2.2561      0.00000
    132       2.3041      0.00000
    133       2.3519      0.00000
    134       2.4575      0.00000
    135       2.6658      0.00000
    136       2.7549      0.00000
    137       2.7948      0.00000
    138       2.8772      0.00000
    139       2.9514      0.00000
    140       2.9909      0.00000
    141       3.0468      0.00000
    142       3.1037      0.00000
    143       3.1586      0.00000
    144       3.2293      0.00000
    145       3.2575      0.00000
    146       3.2919      0.00000
    147       3.3226      0.00000
    148       3.3465      0.00000
    149       3.3860      0.00000
    150       3.5268      0.00000
    151       3.5952      0.00000
    152       3.6590      0.00000
    153       3.6843      0.00000
    154       3.7040      0.00000
    155       3.7239      0.00000
    156       3.7865      0.00000
    157       3.9543      0.00000
    158       4.0508      0.00000
    159       4.1189      0.00000
    160       4.2520      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2606      1.00000
      2     -21.9024      1.00000
      3     -21.8640      1.00000
      4     -21.3398      1.00000
      5     -21.3040      1.00000
      6     -20.7838      1.00000
      7     -20.7454      1.00000
      8     -20.5794      1.00000
      9     -20.0490      1.00000
     10     -20.0134      1.00000
     11     -19.6820      1.00000
     12     -19.6469      1.00000
     13     -18.9697      1.00000
     14     -18.9321      1.00000
     15     -18.6141      1.00000
     16     -18.5771      1.00000
     17     -18.4182      1.00000
     18     -17.6338      1.00000
     19     -17.5873      1.00000
     20     -17.5673      1.00000
     21     -17.5496      1.00000
     22     -17.0997      1.00000
     23     -17.0570      1.00000
     24     -16.9399      1.00000
     25     -15.9831      1.00000
     26     -15.8718      1.00000
     27     -15.5676      1.00000
     28     -15.5296      1.00000
     29     -15.2328      1.00000
     30     -14.8501      1.00000
     31     -14.7932      1.00000
     32     -14.5384      1.00000
     33     -14.5008      1.00000
     34     -14.1308      1.00000
     35     -14.1185      1.00000
     36     -13.1571      1.00000
     37     -13.0502      1.00000
     38     -12.9961      1.00000
     39     -12.9770      1.00000
     40     -12.6996      1.00000
     41     -12.6550      1.00000
     42     -12.2978      1.00000
     43     -12.2819      1.00000
     44     -11.6217      1.00000
     45     -11.5882      1.00000
     46     -11.5277      1.00000
     47     -10.9237      1.00000
     48     -10.8996      1.00000
     49     -10.7132      1.00000
     50     -10.5660      1.00000
     51     -10.5356      1.00000
     52     -10.4691      1.00000
     53     -10.4263      1.00000
     54     -10.3670      1.00000
     55     -10.3147      1.00000
     56     -10.0353      1.00000
     57      -9.8712      1.00000
     58      -9.6014      1.00000
     59      -9.5216      1.00000
     60      -9.4545      1.00000
     61      -9.4087      1.00000
     62      -9.3713      1.00000
     63      -9.3411      1.00000
     64      -9.2978      1.00000
     65      -9.2470      1.00000
     66      -9.1363      1.00000
     67      -9.0905      1.00000
     68      -9.0731      1.00000
     69      -8.8516      1.00000
     70      -8.8361      1.00000
     71      -8.7036      1.00000
     72      -8.5608      1.00000
     73      -8.4385      1.00000
     74      -8.1972      1.00000
     75      -8.1737      1.00000
     76      -8.0386      1.00000
     77      -7.8672      1.00000
     78      -7.8034      1.00000
     79      -7.7698      1.00000
     80      -7.7190      1.00000
     81      -7.6782      1.00000
     82      -7.6427      1.00000
     83      -7.4474      1.00000
     84      -7.3090      1.00000
     85      -6.9189      1.00000
     86      -6.8920      1.00000
     87      -6.7755      1.00000
     88      -6.5583      1.00000
     89      -6.3882      1.00000
     90      -6.3243      1.00000
     91      -6.2786      1.00000
     92      -6.1713      1.00000
     93      -6.0685      1.00000
     94      -5.7833      1.00000
     95      -5.5329      1.00000
     96      -5.3569      1.00000
     97      -5.2054      1.00000
     98      -5.1784      1.00000
     99      -5.0308      1.00000
    100      -4.8141      1.00000
    101      -4.6703      1.00000
    102      -4.4933      1.00000
    103      -4.4313      1.00000
    104      -4.2372      1.00000
    105      -3.6331      1.00000
    106      -3.5464      1.00000
    107      -2.8465      0.00000
    108      -2.1364      0.00000
    109      -1.2474      0.00000
    110      -1.1895      0.00000
    111      -1.1792      0.00000
    112      -0.8850      0.00000
    113      -0.8688      0.00000
    114      -0.7864      0.00000
    115      -0.7541      0.00000
    116       0.1417      0.00000
    117       0.2428      0.00000
    118       0.3158      0.00000
    119       0.7155      0.00000
    120       0.8566      0.00000
    121       0.9362      0.00000
    122       1.1636      0.00000
    123       1.2557      0.00000
    124       1.5175      0.00000
    125       1.5659      0.00000
    126       1.7984      0.00000
    127       1.8800      0.00000
    128       1.8823      0.00000
    129       1.9575      0.00000
    130       2.0431      0.00000
    131       2.2157      0.00000
    132       2.3284      0.00000
    133       2.4154      0.00000
    134       2.4341      0.00000
    135       2.5753      0.00000
    136       2.6058      0.00000
    137       2.6641      0.00000
    138       2.7125      0.00000
    139       2.7459      0.00000
    140       2.8839      0.00000
    141       3.0321      0.00000
    142       3.1296      0.00000
    143       3.1896      0.00000
    144       3.2100      0.00000
    145       3.2344      0.00000
    146       3.2733      0.00000
    147       3.3146      0.00000
    148       3.4388      0.00000
    149       3.5279      0.00000
    150       3.6025      0.00000
    151       3.6923      0.00000
    152       3.6969      0.00000
    153       3.8510      0.00000
    154       3.9006      0.00000
    155       3.9223      0.00000
    156       3.9536      0.00000
    157       3.9982      0.00000
    158       4.0054      0.00000
    159       4.0687      0.00000
    160       4.1477      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3355      1.00000
      2     -21.7750      1.00000
      3     -21.5945      1.00000
      4     -21.5697      1.00000
      5     -21.2251      1.00000
      6     -21.1957      1.00000
      7     -21.0196      1.00000
      8     -20.1203      1.00000
      9     -20.0885      1.00000
     10     -19.5787      1.00000
     11     -19.5445      1.00000
     12     -19.3731      1.00000
     13     -19.0620      1.00000
     14     -19.0216      1.00000
     15     -19.0050      1.00000
     16     -18.9871      1.00000
     17     -18.3350      1.00000
     18     -18.3040      1.00000
     19     -17.9735      1.00000
     20     -17.0238      1.00000
     21     -16.9822      1.00000
     22     -16.9266      1.00000
     23     -16.9009      1.00000
     24     -16.4570      1.00000
     25     -16.4221      1.00000
     26     -15.5783      1.00000
     27     -15.5498      1.00000
     28     -15.2048      1.00000
     29     -15.1826      1.00000
     30     -15.1624      1.00000
     31     -15.0830      1.00000
     32     -15.0293      1.00000
     33     -14.6724      1.00000
     34     -14.6457      1.00000
     35     -13.7057      1.00000
     36     -13.6735      1.00000
     37     -13.2062      1.00000
     38     -12.6395      1.00000
     39     -12.5389      1.00000
     40     -12.4263      1.00000
     41     -12.4039      1.00000
     42     -12.0751      1.00000
     43     -12.0538      1.00000
     44     -11.6812      1.00000
     45     -11.6494      1.00000
     46     -11.2888      1.00000
     47     -11.1868      1.00000
     48     -10.9956      1.00000
     49     -10.9638      1.00000
     50     -10.8910      1.00000
     51     -10.8590      1.00000
     52     -10.5632      1.00000
     53     -10.2065      1.00000
     54     -10.1165      1.00000
     55     -10.0582      1.00000
     56      -9.8904      1.00000
     57      -9.6637      1.00000
     58      -9.6629      1.00000
     59      -9.6273      1.00000
     60      -9.6023      1.00000
     61      -9.5350      1.00000
     62      -9.4755      1.00000
     63      -9.3125      1.00000
     64      -9.2639      1.00000
     65      -9.2260      1.00000
     66      -9.1938      1.00000
     67      -9.0946      1.00000
     68      -9.0907      1.00000
     69      -9.0693      1.00000
     70      -8.9035      1.00000
     71      -8.8430      1.00000
     72      -8.5751      1.00000
     73      -8.5619      1.00000
     74      -8.1701      1.00000
     75      -8.0112      1.00000
     76      -7.9464      1.00000
     77      -7.8863      1.00000
     78      -7.7785      1.00000
     79      -7.7268      1.00000
     80      -7.7126      1.00000
     81      -7.4032      1.00000
     82      -7.2815      1.00000
     83      -7.2450      1.00000
     84      -7.2198      1.00000
     85      -7.1531      1.00000
     86      -6.9720      1.00000
     87      -6.8571      1.00000
     88      -6.6950      1.00000
     89      -6.6631      1.00000
     90      -6.5859      1.00000
     91      -6.1595      1.00000
     92      -6.0857      1.00000
     93      -6.0748      1.00000
     94      -5.9117      1.00000
     95      -5.8825      1.00000
     96      -5.3763      1.00000
     97      -5.1921      1.00000
     98      -4.8738      1.00000
     99      -4.8566      1.00000
    100      -4.6468      1.00000
    101      -4.5240      1.00000
    102      -4.3908      1.00000
    103      -4.2663      1.00000
    104      -4.0650      1.00000
    105      -4.0406      1.00000
    106      -3.5646      1.00000
    107      -2.8679      0.00000
    108      -1.7051      0.00000
    109      -1.6997      0.00000
    110      -1.3088      0.00000
    111      -1.2612      0.00000
    112      -1.2318      0.00000
    113      -1.2292      0.00000
    114      -0.5659      0.00000
    115      -0.2562      0.00000
    116      -0.1164      0.00000
    117       0.5818      0.00000
    118       0.6701      0.00000
    119       0.8069      0.00000
    120       0.9562      0.00000
    121       1.1400      0.00000
    122       1.2052      0.00000
    123       1.2788      0.00000
    124       1.4454      0.00000
    125       1.6142      0.00000
    126       1.6820      0.00000
    127       1.7656      0.00000
    128       1.7729      0.00000
    129       1.9115      0.00000
    130       1.9353      0.00000
    131       2.1802      0.00000
    132       2.1911      0.00000
    133       2.2274      0.00000
    134       2.4708      0.00000
    135       2.4915      0.00000
    136       2.5779      0.00000
    137       2.6303      0.00000
    138       2.7059      0.00000
    139       2.7990      0.00000
    140       2.8164      0.00000
    141       2.8604      0.00000
    142       2.9436      0.00000
    143       2.9712      0.00000
    144       3.0120      0.00000
    145       3.1312      0.00000
    146       3.3386      0.00000
    147       3.3702      0.00000
    148       3.4119      0.00000
    149       3.5741      0.00000
    150       3.5990      0.00000
    151       3.6330      0.00000
    152       3.6636      0.00000
    153       3.7741      0.00000
    154       3.7880      0.00000
    155       3.9934      0.00000
    156       4.0293      0.00000
    157       4.0383      0.00000
    158       4.1099      0.00000
    159       4.2268      0.00000
    160       4.3436      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1196      1.00000
      2     -22.1020      1.00000
      3     -21.9174      1.00000
      4     -21.3603      1.00000
      5     -20.9932      1.00000
      6     -20.9811      1.00000
      7     -20.4419      1.00000
      8     -20.4277      1.00000
      9     -20.2477      1.00000
     10     -20.2460      1.00000
     11     -19.8905      1.00000
     12     -19.8754      1.00000
     13     -18.8246      1.00000
     14     -18.7970      1.00000
     15     -18.2836      1.00000
     16     -18.2781      1.00000
     17     -18.1138      1.00000
     18     -18.1069      1.00000
     19     -17.7656      1.00000
     20     -17.7617      1.00000
     21     -17.2316      1.00000
     22     -17.2031      1.00000
     23     -17.1142      1.00000
     24     -17.1013      1.00000
     25     -16.0916      1.00000
     26     -15.8341      1.00000
     27     -15.8238      1.00000
     28     -15.8076      1.00000
     29     -15.1831      1.00000
     30     -14.5141      1.00000
     31     -14.5005      1.00000
     32     -14.2286      1.00000
     33     -13.9635      1.00000
     34     -13.9246      1.00000
     35     -13.7902      1.00000
     36     -13.7771      1.00000
     37     -13.5603      1.00000
     38     -13.5413      1.00000
     39     -13.3303      1.00000
     40     -12.6107      1.00000
     41     -12.1312      1.00000
     42     -12.1203      1.00000
     43     -12.0100      1.00000
     44     -11.9919      1.00000
     45     -11.6505      1.00000
     46     -11.6349      1.00000
     47     -11.1416      1.00000
     48     -11.1044      1.00000
     49     -10.7644      1.00000
     50     -10.7052      1.00000
     51     -10.4435      1.00000
     52     -10.1723      1.00000
     53     -10.1648      1.00000
     54     -10.1488      1.00000
     55     -10.0029      1.00000
     56      -9.9629      1.00000
     57      -9.9373      1.00000
     58      -9.8139      1.00000
     59      -9.7639      1.00000
     60      -9.7442      1.00000
     61      -9.7290      1.00000
     62      -9.4367      1.00000
     63      -9.3336      1.00000
     64      -9.0775      1.00000
     65      -9.0395      1.00000
     66      -8.9702      1.00000
     67      -8.9409      1.00000
     68      -8.8023      1.00000
     69      -8.6824      1.00000
     70      -8.6660      1.00000
     71      -8.5507      1.00000
     72      -8.5186      1.00000
     73      -8.4446      1.00000
     74      -8.4383      1.00000
     75      -8.3006      1.00000
     76      -8.2318      1.00000
     77      -8.1079      1.00000
     78      -8.0490      1.00000
     79      -8.0249      1.00000
     80      -7.7877      1.00000
     81      -7.6023      1.00000
     82      -7.5935      1.00000
     83      -7.4634      1.00000
     84      -7.0009      1.00000
     85      -6.9464      1.00000
     86      -6.8609      1.00000
     87      -6.5763      1.00000
     88      -6.5440      1.00000
     89      -6.4595      1.00000
     90      -6.4094      1.00000
     91      -6.3310      1.00000
     92      -5.9856      1.00000
     93      -5.7698      1.00000
     94      -5.7281      1.00000
     95      -5.5592      1.00000
     96      -5.3800      1.00000
     97      -5.2044      1.00000
     98      -5.2008      1.00000
     99      -5.1789      1.00000
    100      -5.1571      1.00000
    101      -4.6500      1.00000
    102      -4.5015      1.00000
    103      -4.4422      1.00000
    104      -4.3849      1.00000
    105      -3.5723      1.00000
    106      -3.4321      1.00000
    107      -2.7350      0.00000
    108      -2.4087      0.00000
    109      -1.1665      0.00000
    110      -1.1561      0.00000
    111      -1.1487      0.00000
    112      -1.0539      0.00000
    113      -0.4889      0.00000
    114      -0.4791      0.00000
    115      -0.3248      0.00000
    116      -0.2487      0.00000
    117       0.0057      0.00000
    118       0.0087      0.00000
    119       0.5210      0.00000
    120       0.6624      0.00000
    121       0.8151      0.00000
    122       1.0046      0.00000
    123       1.2393      0.00000
    124       1.4910      0.00000
    125       1.7599      0.00000
    126       1.9506      0.00000
    127       1.9553      0.00000
    128       2.0247      0.00000
    129       2.0799      0.00000
    130       2.1777      0.00000
    131       2.2858      0.00000
    132       2.2918      0.00000
    133       2.3514      0.00000
    134       2.5557      0.00000
    135       2.6347      0.00000
    136       2.6794      0.00000
    137       2.8484      0.00000
    138       2.8885      0.00000
    139       2.9611      0.00000
    140       2.9663      0.00000
    141       3.1209      0.00000
    142       3.1394      0.00000
    143       3.1441      0.00000
    144       3.1799      0.00000
    145       3.2410      0.00000
    146       3.2450      0.00000
    147       3.3331      0.00000
    148       3.3567      0.00000
    149       3.3886      0.00000
    150       3.4076      0.00000
    151       3.5078      0.00000
    152       3.6236      0.00000
    153       3.6792      0.00000
    154       3.6863      0.00000
    155       3.8334      0.00000
    156       3.9059      0.00000
    157       3.9645      0.00000
    158       3.9875      0.00000
    159       4.1086      0.00000
    160       4.1963      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2229      1.00000
      2     -22.0348      1.00000
      3     -21.6702      1.00000
      4     -21.6444      1.00000
      5     -20.9292      1.00000
      6     -20.8988      1.00000
      7     -20.5595      1.00000
      8     -20.5391      1.00000
      9     -20.5287      1.00000
     10     -19.9918      1.00000
     11     -19.4688      1.00000
     12     -19.4359      1.00000
     13     -19.2827      1.00000
     14     -19.2556      1.00000
     15     -18.3999      1.00000
     16     -18.3681      1.00000
     17     -17.8989      1.00000
     18     -17.8666      1.00000
     19     -17.7150      1.00000
     20     -17.6809      1.00000
     21     -17.4139      1.00000
     22     -17.3831      1.00000
     23     -17.2938      1.00000
     24     -16.4566      1.00000
     25     -16.4173      1.00000
     26     -15.9360      1.00000
     27     -15.3816      1.00000
     28     -15.3537      1.00000
     29     -15.0700      1.00000
     30     -15.0404      1.00000
     31     -14.8102      1.00000
     32     -14.7888      1.00000
     33     -14.2856      1.00000
     34     -14.2142      1.00000
     35     -13.4426      1.00000
     36     -13.3601      1.00000
     37     -13.1542      1.00000
     38     -13.1225      1.00000
     39     -12.9611      1.00000
     40     -12.9307      1.00000
     41     -12.5879      1.00000
     42     -12.5607      1.00000
     43     -12.1720      1.00000
     44     -11.5386      1.00000
     45     -11.5028      1.00000
     46     -11.2768      1.00000
     47     -11.2483      1.00000
     48     -11.1291      1.00000
     49     -10.7684      1.00000
     50     -10.6282      1.00000
     51     -10.4507      1.00000
     52     -10.2808      1.00000
     53     -10.2738      1.00000
     54     -10.1673      1.00000
     55     -10.0913      1.00000
     56     -10.0576      1.00000
     57      -9.8059      1.00000
     58      -9.7035      1.00000
     59      -9.6897      1.00000
     60      -9.6826      1.00000
     61      -9.6703      1.00000
     62      -9.6052      1.00000
     63      -9.3433      1.00000
     64      -9.3161      1.00000
     65      -9.2917      1.00000
     66      -8.9691      1.00000
     67      -8.9286      1.00000
     68      -8.8790      1.00000
     69      -8.7480      1.00000
     70      -8.5644      1.00000
     71      -8.4838      1.00000
     72      -8.4005      1.00000
     73      -8.3618      1.00000
     74      -8.2852      1.00000
     75      -8.2392      1.00000
     76      -8.2265      1.00000
     77      -8.2119      1.00000
     78      -8.1968      1.00000
     79      -7.9939      1.00000
     80      -7.7798      1.00000
     81      -7.4126      1.00000
     82      -7.3167      1.00000
     83      -7.2375      1.00000
     84      -7.1405      1.00000
     85      -7.0963      1.00000
     86      -6.9571      1.00000
     87      -6.9097      1.00000
     88      -6.5889      1.00000
     89      -6.5546      1.00000
     90      -6.4340      1.00000
     91      -6.2515      1.00000
     92      -5.9035      1.00000
     93      -5.8229      1.00000
     94      -5.6755      1.00000
     95      -5.5845      1.00000
     96      -5.2948      1.00000
     97      -5.2600      1.00000
     98      -5.1852      1.00000
     99      -5.1845      1.00000
    100      -5.1611      1.00000
    101      -4.5223      1.00000
    102      -4.4554      1.00000
    103      -4.3979      1.00000
    104      -4.0771      1.00000
    105      -3.9291      1.00000
    106      -3.5179      1.00000
    107      -2.8174      0.00000
    108      -1.8056      0.00000
    109      -1.7937      0.00000
    110      -1.0768      0.00000
    111      -1.0120      0.00000
    112      -0.9283      0.00000
    113      -0.6565      0.00000
    114      -0.6059      0.00000
    115      -0.5698      0.00000
    116      -0.5299      0.00000
    117       0.1595      0.00000
    118       0.2631      0.00000
    119       0.7058      0.00000
    120       0.9732      0.00000
    121       1.0925      0.00000
    122       1.2550      0.00000
    123       1.4191      0.00000
    124       1.5314      0.00000
    125       1.5972      0.00000
    126       1.6187      0.00000
    127       1.6472      0.00000
    128       1.8396      0.00000
    129       1.9308      0.00000
    130       2.1066      0.00000
    131       2.1955      0.00000
    132       2.3332      0.00000
    133       2.3721      0.00000
    134       2.4671      0.00000
    135       2.5989      0.00000
    136       2.6589      0.00000
    137       2.7249      0.00000
    138       2.7381      0.00000
    139       2.8420      0.00000
    140       2.9459      0.00000
    141       3.0447      0.00000
    142       3.0689      0.00000
    143       3.1876      0.00000
    144       3.2813      0.00000
    145       3.3308      0.00000
    146       3.3336      0.00000
    147       3.4608      0.00000
    148       3.5251      0.00000
    149       3.5608      0.00000
    150       3.6001      0.00000
    151       3.6132      0.00000
    152       3.6857      0.00000
    153       3.7289      0.00000
    154       3.7611      0.00000
    155       3.7658      0.00000
    156       3.8404      0.00000
    157       3.9212      0.00000
    158       3.9968      0.00000
    159       4.0258      0.00000
    160       4.2677      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0447   -6.8615    2.8578   -0.4769   -0.0178   17.1399    0.0961   -0.0738    0.1197   -0.2126
x    -3.1508   -0.0332   -0.0583    0.0255    0.0327   -3.0235    0.0209   -0.0019   -0.0001    0.0000
x    -0.0930   -0.0010    0.0019   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0447    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0010    0.0005    0.0034   -0.0987   -0.0407    0.0688    0.0117
y     0.0421   -3.2483   -0.0990    0.2013   -2.4461   -0.6653
z   204.0447    1.9913    0.0139   -0.0666    0.0187    0.0778   -0.0027   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0615    0.0082    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8230
z    -0.5086    0.0405    0.0742    0.1438   -0.0981   -0.0018
 total charge-density along one line
x   212.0000   -9.6891    4.7925   -1.2799   -0.2532   19.0807   -1.1268    1.0524   -0.6834    0.2213
x    -2.7490   -0.0175   -0.0409    0.0179    0.0337   -2.3070    0.0201    0.0018   -0.0030   -0.0008
x    -0.0820    0.0013   -0.0021    0.0004    0.0009   -0.0371    0.0003    0.0004   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6891    4.7925   -1.2799   -0.2533   19.0807   -1.1268    1.0524   -0.6834    0.2213
y    -2.7490   -0.0175   -0.0409    0.0179    0.0337   -2.3070    0.0201    0.0018   -0.0030   -0.0008
y    -0.0820    0.0013   -0.0021    0.0004    0.0009   -0.0371    0.0003    0.0004   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6774  189.4280 -169.4368  151.1882 -136.5242  123.8093 -110.3362   94.7317  -77.7635
z    61.4915  -47.7966   37.3974  -29.8118   23.9939  -19.0545   14.6185  -10.7445    7.6226   -5.3207
z     3.7167   -2.5878    1.7355   -1.0522    0.5107   -0.1139   -0.1451    0.2914   -0.3585    0.3750
z    -0.3625    0.3372   -0.3112    0.2904   -0.2726    0.2507   -0.2191    0.1788   -0.1370    0.1024
z    -0.0796    0.0672   -0.0596    0.0518   -0.0422    0.0320   -0.0237    0.0185   -0.0157    0.0142
z    -0.0126    0.0108   -0.0088    0.0069   -0.0052    0.0039   -0.0029    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.701   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.195   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.267   0.000   0.297   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.068   0.037   0.000  -0.053   0.000   0.000
  0.279   0.000  -0.267   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.109   0.321  -0.102   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.297   0.000   0.182  -0.122   0.000   0.428   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.170   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.195   0.000   0.158   0.000   0.063  -0.109   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.068   0.321   0.000   0.148   0.000  -0.178   1.140  -0.353   0.000  -0.139   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.102   0.000  -0.138   0.000   0.061  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.174  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.139   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.174   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.007   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.783
  2        0.542   0.016   0.000   0.557
  3        0.542   0.016   0.000   0.557
  4        0.864   1.780   0.000   2.644
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.784   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.776   0.000   2.640
 17        0.849   1.733   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.768   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.864   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.768   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.784   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.733   0.000   2.581
 42        0.865   1.776   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.644
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.792  89.408   7.854 142.054
 


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


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


    CHARGE:  VPU time  113.57: CPU time   57.40
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  440.82: CPU time  220.97
    STRESS:  VPU time 1324.84: CPU time  666.32
    FORCOR:  VPU time    8.69: CPU time    8.69
    FORHAR:  VPU time    2.28: CPU time    2.27
    MIXING:  VPU time    0.20: CPU time    0.20
 d Force = 0.3292291E-02[ 0.101E-03, 0.648E-02]  d Energy = 0.4041596E-02-0.749E-03
 d Force = 0.2974502E-01[ 0.151E-01, 0.444E-01]  d Ewald  =-0.2229768E+01 0.226E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648566 eV

  energy  without entropy=     -469.648566  energy(sigma->0) =     -469.648566
 

  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    40937.79  40984.00 -47644.10     40.02      0.00      0.00
  Hartree  40396.30  40421.15 -39644.85     21.52      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.31      0.00      0.00
  Local   -83624.99 -83693.38  84601.61    -59.23      0.00      0.00
  n-local   -214.77   -206.81   -206.59      6.00      0.00      0.00
  augment     21.82     19.28     20.59     -2.20      0.00      0.00
  Kinetic   3165.74   3163.40   3585.98     -8.46      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.27     -0.50     -0.41     -0.20      0.00      0.00
  in kB       -0.16     -0.30     -0.25     -0.12      0.00      0.00
  external pressure =       -0.24 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.341152946 -0.000234696  0.000000000     0.081030596  0.046785160  0.000000000
    -6.170786365 10.687630446  0.000000000     0.000001779  0.093567137  0.000000000
     0.000000000  0.000000000 20.001039749     0.000000000  0.000000000  0.049997401

  length of vectors
    12.341152949 12.341152657 20.001039749     0.093567135  0.093567137  0.049997401


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.789E-05 -.315E-04 -.110E+04   0.446E-05 -.262E-04 0.110E+04   0.254E-20 -.169E-20 0.368E+01   -.152E-06 0.865E-07 -.511E-02
   -.267E+02 -.463E+02 -.108E+03   0.278E+02 0.482E+02 0.108E+03   -.111E+01 -.192E+01 -.198E+00   0.102E-03 0.174E-03 -.639E-04
   0.267E+02 0.463E+02 -.108E+03   -.278E+02 -.482E+02 0.108E+03   0.111E+01 0.192E+01 -.198E+00   -.102E-03 -.174E-03 -.639E-04
   -.204E+01 0.118E+01 0.308E+02   0.199E+01 -.115E+01 -.308E+02   0.519E-01 -.300E-01 0.544E-02   0.974E-03 -.565E-03 -.257E-03
   0.662E+01 0.655E+01 0.343E+02   -.658E+01 -.654E+01 -.343E+02   -.314E-01 -.133E-01 -.421E-01   0.168E-02 -.113E-03 -.308E-03
   0.118E+02 0.585E+01 0.251E+02   -.117E+02 -.587E+01 -.250E+02   -.514E-01 0.194E-01 -.117E+00   -.676E-03 -.128E-02 -.363E-03
   0.431E+01 -.110E+01 0.210E+02   -.431E+01 0.110E+01 -.210E+02   0.273E-02 -.784E-02 0.184E-01   -.983E-03 0.960E-04 -.259E-03
   -.283E+01 -.259E+01 0.220E+02   0.283E+01 0.257E+01 -.220E+02   -.142E-02 0.148E-01 0.186E-01   0.117E-02 -.199E-03 -.154E-03
   0.833E+00 0.374E+01 0.220E+02   -.813E+00 -.374E+01 -.220E+02   -.136E-01 -.619E-02 0.186E-01   0.752E-03 -.917E-03 -.160E-03
   0.292E+01 0.187E+02 0.368E+02   -.295E+01 -.187E+02 -.368E+02   0.346E-01 -.268E-01 -.242E-01   0.159E-03 0.944E-03 -.563E-03
   0.205E+02 0.223E+02 0.461E+02   -.205E+02 -.224E+02 -.458E+02   0.543E-02 0.115E+00 -.326E+00   -.250E-04 -.163E-02 -.132E-02
   0.274E+02 -.584E+01 0.228E+02   -.275E+02 0.590E+01 -.228E+02   0.909E-01 -.598E-01 0.354E-02   0.143E-02 0.583E-03 -.557E-03
   0.974E+01 -.562E+01 0.157E+02   -.968E+01 0.559E+01 -.158E+02   -.547E-01 0.316E-01 0.492E-01   0.978E-03 -.570E-03 0.531E-04
   0.311E+01 -.318E+01 0.210E+02   -.311E+01 0.318E+01 -.210E+02   0.816E-02 0.155E-02 0.184E-01   -.577E-03 0.800E-03 -.271E-03
   -.693E+01 0.128E+02 0.240E+02   0.691E+01 -.128E+02 -.240E+02   0.259E-01 -.244E-02 0.177E-01   0.138E-02 -.117E-02 -.445E-03
   -.134E+02 0.311E+02 0.323E+02   0.133E+02 -.315E+02 -.325E+02   0.112E+00 0.430E+00 0.284E+00   0.111E-02 0.289E-02 -.927E-03
   0.342E+02 -.197E+02 0.941E+01   -.353E+02 0.204E+02 -.117E+02   0.114E+01 -.657E+00 0.232E+01   0.206E-02 -.119E-02 -.166E-02
   0.188E+02 -.208E+02 0.228E+02   -.189E+02 0.209E+02 -.228E+02   0.973E-01 -.488E-01 0.354E-02   0.207E-03 -.154E-02 -.564E-03
   0.819E+00 -.131E+02 0.251E+02   -.774E+00 0.131E+02 -.250E+02   -.425E-01 0.348E-01 -.117E+00   0.775E-03 0.123E-02 -.371E-03
   -.401E+01 0.989E+00 0.173E+02   0.402E+01 -.101E+01 -.173E+02   -.321E-02 0.191E-01 -.855E-01   0.725E-03 -.162E-02 -.153E-03
   -.182E+02 0.105E+02 0.128E+02   0.182E+02 -.105E+02 -.126E+02   0.620E-02 -.358E-02 -.249E+00   0.114E-02 -.657E-03 -.283E-03
   -.336E+02 -.390E+01 0.323E+02   0.340E+02 0.421E+01 -.325E+02   -.316E+00 -.312E+00 0.284E+00   -.194E-02 -.240E-02 -.923E-03
   -.908E+01 -.289E+02 0.461E+02   0.918E+01 0.289E+02 -.458E+02   -.969E-01 -.622E-01 -.326E+00   0.141E-02 0.835E-03 -.132E-02
   -.237E+01 -.900E+01 0.343E+02   0.237E+01 0.897E+01 -.343E+02   -.415E-02 0.339E-01 -.421E-01   0.941E-03 -.140E-02 -.309E-03
   0.121E+01 -.697E+00 0.239E+02   -.119E+01 0.685E+00 -.238E+02   -.132E-01 0.761E-02 -.607E-01   -.107E-02 0.619E-03 -.132E-03
   -.286E+01 0.298E+01 0.173E+02   0.288E+01 -.298E+01 -.173E+02   -.182E-01 -.679E-02 -.855E-01   0.176E-02 0.185E-03 -.146E-03
   -.146E+02 -.403E+00 0.240E+02   0.145E+02 0.418E+00 -.240E+02   0.150E-01 -.212E-01 0.177E-01   0.170E-02 -.611E-03 -.434E-03
   -.147E+02 -.119E+02 0.368E+02   0.147E+02 0.119E+02 -.368E+02   0.405E-01 -.166E-01 -.242E-01   -.737E-03 -.614E-03 -.559E-03
   0.237E+01 0.900E+01 0.343E+02   -.237E+01 -.897E+01 -.343E+02   0.415E-02 -.339E-01 -.421E-01   -.940E-03 0.140E-02 -.309E-03
   0.147E+02 0.119E+02 0.368E+02   -.147E+02 -.119E+02 -.368E+02   -.405E-01 0.166E-01 -.242E-01   0.737E-03 0.614E-03 -.559E-03
   0.146E+02 0.403E+00 0.240E+02   -.145E+02 -.418E+00 -.240E+02   -.150E-01 0.212E-01 0.177E-01   -.170E-02 0.611E-03 -.434E-03
   0.286E+01 -.298E+01 0.173E+02   -.288E+01 0.298E+01 -.173E+02   0.182E-01 0.679E-02 -.855E-01   -.176E-02 -.184E-03 -.146E-03
   -.121E+01 0.697E+00 0.239E+02   0.119E+01 -.685E+00 -.238E+02   0.132E-01 -.761E-02 -.607E-01   0.107E-02 -.619E-03 -.132E-03
   -.819E+00 0.131E+02 0.251E+02   0.774E+00 -.131E+02 -.250E+02   0.425E-01 -.348E-01 -.117E+00   -.775E-03 -.123E-02 -.371E-03
   0.908E+01 0.289E+02 0.461E+02   -.918E+01 -.289E+02 -.458E+02   0.969E-01 0.622E-01 -.326E+00   -.141E-02 -.835E-03 -.132E-02
   0.336E+02 0.390E+01 0.323E+02   -.340E+02 -.421E+01 -.325E+02   0.316E+00 0.312E+00 0.284E+00   0.194E-02 0.240E-02 -.923E-03
   0.182E+02 -.105E+02 0.128E+02   -.182E+02 0.105E+02 -.126E+02   -.620E-02 0.358E-02 -.249E+00   -.114E-02 0.657E-03 -.283E-03
   0.401E+01 -.989E+00 0.173E+02   -.402E+01 0.101E+01 -.173E+02   0.321E-02 -.191E-01 -.855E-01   -.725E-03 0.162E-02 -.153E-03
   -.311E+01 0.318E+01 0.210E+02   0.311E+01 -.318E+01 -.210E+02   -.816E-02 -.155E-02 0.184E-01   0.577E-03 -.800E-03 -.271E-03
   -.188E+02 0.208E+02 0.228E+02   0.189E+02 -.209E+02 -.228E+02   -.973E-01 0.488E-01 0.354E-02   -.207E-03 0.154E-02 -.564E-03
   -.342E+02 0.197E+02 0.941E+01   0.353E+02 -.204E+02 -.117E+02   -.114E+01 0.657E+00 0.232E+01   -.206E-02 0.119E-02 -.166E-02
   0.134E+02 -.311E+02 0.323E+02   -.133E+02 0.315E+02 -.325E+02   -.112E+00 -.430E+00 0.284E+00   -.111E-02 -.289E-02 -.927E-03
   0.693E+01 -.128E+02 0.240E+02   -.691E+01 0.128E+02 -.240E+02   -.259E-01 0.244E-02 0.177E-01   -.138E-02 0.117E-02 -.445E-03
   -.833E+00 -.374E+01 0.220E+02   0.813E+00 0.374E+01 -.220E+02   0.136E-01 0.619E-02 0.186E-01   -.752E-03 0.917E-03 -.159E-03
   -.974E+01 0.562E+01 0.157E+02   0.968E+01 -.559E+01 -.158E+02   0.547E-01 -.316E-01 0.492E-01   -.978E-03 0.570E-03 0.531E-04
   -.274E+02 0.584E+01 0.228E+02   0.275E+02 -.590E+01 -.228E+02   -.909E-01 0.598E-01 0.354E-02   -.143E-02 -.583E-03 -.557E-03
   -.205E+02 -.223E+02 0.461E+02   0.205E+02 0.224E+02 -.458E+02   -.543E-02 -.115E+00 -.326E+00   0.251E-04 0.163E-02 -.132E-02
   -.292E+01 -.187E+02 0.368E+02   0.295E+01 0.187E+02 -.368E+02   -.346E-01 0.268E-01 -.242E-01   -.159E-03 -.944E-03 -.563E-03
   0.204E+01 -.118E+01 0.308E+02   -.199E+01 0.115E+01 -.308E+02   -.519E-01 0.300E-01 0.544E-02   -.974E-03 0.565E-03 -.257E-03
   0.283E+01 0.259E+01 0.220E+02   -.283E+01 -.257E+01 -.220E+02   0.142E-02 -.148E-01 0.186E-01   -.117E-02 0.199E-03 -.154E-03
   -.431E+01 0.110E+01 0.210E+02   0.431E+01 -.110E+01 -.210E+02   -.273E-02 0.784E-02 0.184E-01   0.983E-03 -.960E-04 -.259E-03
   -.118E+02 -.585E+01 0.251E+02   0.117E+02 0.587E+01 -.250E+02   0.514E-01 -.194E-01 -.117E+00   0.676E-03 0.128E-02 -.363E-03
   -.662E+01 -.655E+01 0.343E+02   0.658E+01 0.654E+01 -.343E+02   0.314E-01 0.133E-01 -.421E-01   -.168E-02 0.113E-03 -.308E-03
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.342E-03 -.635E+01   0.128E-12 0.924E-13 -.320E-12   0.486E-16 0.224E-15 0.641E+01   -.197E-06 0.132E-06 -.300E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85105      6.05622     12.41254         0.000000      0.000000      0.000649
      2.67861      7.48960     12.52568        -0.001613     -0.002794     -0.015623
      1.02350      4.62285     12.52568         0.001613      0.002794     -0.015623
     12.34069      0.00003      9.88032         0.001599     -0.000923     -0.000110
     -1.23310      2.13850      9.88562         0.002931     -0.002200      0.000317
     -2.46868      4.27607      9.93421         0.005757     -0.000762     -0.000145
      8.63807      6.41228      9.94352         0.006857     -0.005491      0.001089
     -4.93506      8.54970      9.92007         0.004850     -0.005052     -0.003058
     -3.70142     10.68643      9.92007         0.006801     -0.001674     -0.003058
      1.23530      2.14055      9.92590         0.004356     -0.007477     -0.001731
     -0.00336      4.27886     10.00863         0.003897     -0.001162      0.004064
     -1.23795      6.41048     10.03632        -0.000564     -0.001597     -0.001914
     -2.46557      8.54842      9.96855         0.005110     -0.002950      0.000789
      4.93621      0.00046      9.94352         0.008184     -0.003193      0.001089
      3.70225      2.13421      9.96250         0.007198     -0.000140     -0.001473
      2.47206      4.25428     10.12932         0.008692     -0.014900      0.014016
      1.21459      6.42369     10.35725        -0.003649      0.002107      0.004674
     -0.00024      8.55425     10.03632         0.001101      0.001287     -0.001914
      1.23284     10.68730      9.93421         0.003538     -0.004605     -0.000145
      6.17016      2.13669      9.94453         0.003838      0.000969     -0.005136
      4.93891      4.27345     10.02899         0.003574     -0.002063     -0.003435
      3.72209      6.41939     10.12932         0.017250     -0.000077      0.014016
      2.46309      8.55088     10.00863         0.002955     -0.002794      0.004064
      3.70182     10.68604      9.88562         0.003370     -0.001439      0.000317
      8.63815      2.13769      9.90269         0.007110     -0.004105      0.001326
      7.40502      4.27553      9.94453         0.001080     -0.003808     -0.005136
      6.17322      6.41405      9.96250         0.003720     -0.006164     -0.001473
      4.93425      8.54732      9.92590         0.008653     -0.000034     -0.001731
      0.00029      1.42641      9.88562        -0.003370      0.001439      0.000317
     -1.23214      3.56513      9.92590        -0.008653      0.000034     -0.001731
     -2.47111      5.69839      9.96250        -0.003720      0.006164     -0.001473
     -3.70291      7.83691      9.94453        -0.001080      0.003808     -0.005136
     -4.93604      9.97475      9.90269        -0.007110      0.004105      0.001326
      2.46927      1.42514      9.93421        -0.003538      0.004605     -0.000145
      1.23902      3.56157     10.00863        -0.002955      0.002794      0.004064
     -0.01998      5.69306     10.12932        -0.017250      0.000077      0.014016
     -1.23680      7.83900     10.02899        -0.003574      0.002063     -0.003435
     -2.46805      9.97575      9.94453        -0.003838     -0.000969     -0.005136
      4.93668      1.42435      9.94352        -0.008184      0.003193      0.001089
      3.70235      3.55820     10.03632        -0.001101     -0.001287     -0.001914
      2.48752      5.68876     10.35725         0.003649     -0.002107      0.004674
      1.23004      7.85817     10.12932        -0.008692      0.014900      0.014016
     -0.00014      9.97824      9.96250        -0.007198      0.000140     -0.001473
      7.40353      1.42602      9.92007        -0.006801      0.001674     -0.003058
      6.16768      3.56402      9.96855        -0.005110      0.002950      0.000789
      4.94006      5.70197     10.03632         0.000564      0.001597     -0.001914
      3.70547      7.83359     10.00863        -0.003897      0.001162      0.004064
      2.46681      9.97189      9.92590        -0.004356      0.007477     -0.001731
      9.87335      1.42455      9.88032        -0.001599      0.000923     -0.000110
      8.63717      3.56275      9.92007        -0.004850      0.005052     -0.003058
      7.40519      5.69993      9.94352        -0.006857      0.005491      0.001089
      6.17079      7.83638      9.93421        -0.005757      0.000762     -0.000145
      4.93521      9.97394      9.88562        -0.002931      0.002200      0.000317
 -----------------------------------------------------------------------------------
    total drift:                               -0.001845      0.000342      0.023605


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




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


    WAVPRE:  VPU time    1.77: CPU time    1.77
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.19
    ORTHCH:  VPU time  182.16: CPU time   91.40
     LOOP+:  VPU time 9602.00: CPU time 4945.80


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


    POTLOK:  VPU time    9.11: CPU time    9.08
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1377.62: CPU time  714.65
 BZINTS: Fermi energy: -3.255326;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.52: CPU time   56.38
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1498.83: CPU time  780.64

 eigenvalue-minimisations  :  4128
 total energy-change (2. order) :-0.4696486E+03  (-0.5365347E-05)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9551936 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.30267E-03    rms(broyden)= 0.30260E-03
  rms(prec ) = 0.33640E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34277.66657497
  -1/2 Hartree   DENC   =    -41172.46270635
  -V(xc)+E(xc)   XCENC  =       726.33876761
  PAW double counting   =      4067.94998261    -4106.60179271
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.97925028
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64857056 eV

  energy without entropy =     -469.64857056  energy(sigma->0) =     -469.64857056


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




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


    POTLOK:  VPU time    9.11: CPU time    9.11
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1422.79: CPU time  736.86
 BZINTS: Fermi energy: -3.255457;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1432.32: CPU time  746.35

 eigenvalue-minimisations  :  4320
 total energy-change (2. order) :-0.2584618E-05  (-0.6992545E-06)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9551936 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34277.66657497
  -1/2 Hartree   DENC   =    -41172.47379132
  -V(xc)+E(xc)   XCENC  =       726.33878736
  PAW double counting   =      4067.94276002    -4106.59451584
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.96824194
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64857314 eV

  energy without entropy =     -469.64857314  energy(sigma->0) =     -469.64857314


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




 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 -59.0095       2 -37.4825       3 -37.4825       4 -58.3186       5 -58.2932
       6 -58.3057       7 -58.3037       8 -58.3124       9 -58.3124      10 -58.2865
      11 -58.3240      12 -58.2811      13 -58.3237      14 -58.3037      15 -58.3018
      16 -58.3975      17 -58.9697      18 -58.2811      19 -58.3057      20 -58.3079
      21 -58.2942      22 -58.3975      23 -58.3241      24 -58.2932      25 -58.3290
      26 -58.3079      27 -58.3018      28 -58.2866      29 -58.2931      30 -58.2864
      31 -58.3017      32 -58.3078      33 -58.3289      34 -58.3056      35 -58.3239
      36 -58.3974      37 -58.2941      38 -58.3078      39 -58.3036      40 -58.2810
      41 -58.9696      42 -58.3975      43 -58.3017      44 -58.3123      45 -58.3236
      46 -58.2810      47 -58.3240      48 -58.2865      49 -58.3185      50 -58.3123
      51 -58.3036      52 -58.3056      53 -58.2931
 
 
 
 E-fermi :  -3.2555     XC(G=0):  -2.3591     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3729      1.00000
      2     -21.5059      1.00000
      3     -21.4308      1.00000
      4     -21.4305      1.00000
      5     -21.4189      1.00000
      6     -21.4086      1.00000
      7     -21.4045      1.00000
      8     -19.6671      1.00000
      9     -19.5974      1.00000
     10     -19.5923      1.00000
     11     -19.5806      1.00000
     12     -19.5686      1.00000
     13     -19.5655      1.00000
     14     -18.7661      1.00000
     15     -18.7035      1.00000
     16     -18.6965      1.00000
     17     -18.6833      1.00000
     18     -18.6753      1.00000
     19     -18.6701      1.00000
     20     -16.6324      1.00000
     21     -16.5500      1.00000
     22     -16.5442      1.00000
     23     -16.5354      1.00000
     24     -16.5261      1.00000
     25     -16.5222      1.00000
     26     -15.6073      1.00000
     27     -15.5664      1.00000
     28     -15.5236      1.00000
     29     -15.5222      1.00000
     30     -15.5198      1.00000
     31     -15.5164      1.00000
     32     -14.2562      1.00000
     33     -14.2212      1.00000
     34     -14.1952      1.00000
     35     -14.1945      1.00000
     36     -14.1768      1.00000
     37     -14.1712      1.00000
     38     -11.9851      1.00000
     39     -11.8727      1.00000
     40     -11.8246      1.00000
     41     -11.8097      1.00000
     42     -11.8087      1.00000
     43     -11.8028      1.00000
     44     -11.7292      1.00000
     45     -11.7239      1.00000
     46     -11.7056      1.00000
     47     -11.6971      1.00000
     48     -11.6908      1.00000
     49     -11.6823      1.00000
     50     -10.6444      1.00000
     51     -10.3749      1.00000
     52     -10.3583      1.00000
     53     -10.3364      1.00000
     54     -10.3287      1.00000
     55     -10.3209      1.00000
     56     -10.2966      1.00000
     57      -9.7924      1.00000
     58      -9.4113      1.00000
     59      -9.3915      1.00000
     60      -9.3532      1.00000
     61      -9.3427      1.00000
     62      -9.3331      1.00000
     63      -9.1752      1.00000
     64      -9.0803      1.00000
     65      -9.0769      1.00000
     66      -9.0634      1.00000
     67      -9.0592      1.00000
     68      -9.0323      1.00000
     69      -9.0297      1.00000
     70      -9.0261      1.00000
     71      -9.0134      1.00000
     72      -9.0039      1.00000
     73      -8.9944      1.00000
     74      -8.9744      1.00000
     75      -7.9871      1.00000
     76      -7.7013      1.00000
     77      -7.5079      1.00000
     78      -7.4853      1.00000
     79      -7.4623      1.00000
     80      -7.4115      1.00000
     81      -7.3961      1.00000
     82      -7.3778      1.00000
     83      -7.3466      1.00000
     84      -7.2246      1.00000
     85      -7.1825      1.00000
     86      -7.1777      1.00000
     87      -7.1744      1.00000
     88      -6.6143      1.00000
     89      -6.5776      1.00000
     90      -6.3663      1.00000
     91      -6.3571      1.00000
     92      -6.3179      1.00000
     93      -6.2938      1.00000
     94      -5.9414      1.00000
     95      -5.8961      1.00000
     96      -5.3607      1.00000
     97      -5.1940      1.00000
     98      -4.8402      1.00000
     99      -4.7159      1.00000
    100      -4.3636      1.00000
    101      -4.3575      1.00000
    102      -4.3467      1.00000
    103      -4.3353      1.00000
    104      -4.1691      1.00000
    105      -3.9336      1.00000
    106      -3.5929      1.00000
    107      -2.9233      0.00000
    108      -1.5528      0.00000
    109      -1.5509      0.00000
    110      -1.5378      0.00000
    111      -1.5377      0.00000
    112      -1.4796      0.00000
    113      -1.4648      0.00000
    114       0.0752      0.00000
    115       0.2364      0.00000
    116       0.2822      0.00000
    117       0.3013      0.00000
    118       0.3054      0.00000
    119       0.3722      0.00000
    120       0.6100      0.00000
    121       1.2660      0.00000
    122       1.3600      0.00000
    123       1.6939      0.00000
    124       1.7543      0.00000
    125       1.7787      0.00000
    126       1.7837      0.00000
    127       1.8472      0.00000
    128       1.8722      0.00000
    129       1.9992      0.00000
    130       2.0044      0.00000
    131       2.0158      0.00000
    132       2.0212      0.00000
    133       2.0231      0.00000
    134       2.0820      0.00000
    135       2.3092      0.00000
    136       2.4585      0.00000
    137       2.5749      0.00000
    138       2.5853      0.00000
    139       2.6187      0.00000
    140       2.7356      0.00000
    141       2.8315      0.00000
    142       3.0240      0.00000
    143       3.0317      0.00000
    144       3.0492      0.00000
    145       3.0625      0.00000
    146       3.0877      0.00000
    147       3.1063      0.00000
    148       3.4407      0.00000
    149       3.5374      0.00000
    150       3.5806      0.00000
    151       3.8948      0.00000
    152       3.9028      0.00000
    153       3.9426      0.00000
    154       3.9509      0.00000
    155       3.9792      0.00000
    156       4.0467      0.00000
    157       4.1582      0.00000
    158       4.2057      0.00000
    159       4.2526      0.00000
    160       4.2552      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3354      1.00000
      2     -21.7730      1.00000
      3     -21.5986      1.00000
      4     -21.5674      1.00000
      5     -21.2234      1.00000
      6     -21.1947      1.00000
      7     -21.0214      1.00000
      8     -20.1209      1.00000
      9     -20.0878      1.00000
     10     -19.5725      1.00000
     11     -19.5454      1.00000
     12     -19.3793      1.00000
     13     -19.0513      1.00000
     14     -19.0194      1.00000
     15     -19.0063      1.00000
     16     -18.9949      1.00000
     17     -18.3289      1.00000
     18     -18.3044      1.00000
     19     -17.9827      1.00000
     20     -17.0372      1.00000
     21     -16.9848      1.00000
     22     -16.9192      1.00000
     23     -16.8980      1.00000
     24     -16.4376      1.00000
     25     -16.4148      1.00000
     26     -15.5894      1.00000
     27     -15.5583      1.00000
     28     -15.2358      1.00000
     29     -15.1968      1.00000
     30     -15.1336      1.00000
     31     -15.0598      1.00000
     32     -15.0299      1.00000
     33     -14.6689      1.00000
     34     -14.6511      1.00000
     35     -13.7061      1.00000
     36     -13.6807      1.00000
     37     -13.2036      1.00000
     38     -12.5996      1.00000
     39     -12.5419      1.00000
     40     -12.4200      1.00000
     41     -12.4055      1.00000
     42     -12.1108      1.00000
     43     -12.0686      1.00000
     44     -11.6958      1.00000
     45     -11.6466      1.00000
     46     -11.2335      1.00000
     47     -11.1913      1.00000
     48     -11.0084      1.00000
     49     -10.9735      1.00000
     50     -10.9092      1.00000
     51     -10.8662      1.00000
     52     -10.5307      1.00000
     53     -10.1291      1.00000
     54     -10.1243      1.00000
     55     -10.0822      1.00000
     56      -9.9201      1.00000
     57      -9.7071      1.00000
     58      -9.6723      1.00000
     59      -9.6119      1.00000
     60      -9.5838      1.00000
     61      -9.5414      1.00000
     62      -9.4806      1.00000
     63      -9.2988      1.00000
     64      -9.2767      1.00000
     65      -9.2286      1.00000
     66      -9.1753      1.00000
     67      -9.1117      1.00000
     68      -9.0774      1.00000
     69      -9.0649      1.00000
     70      -8.9056      1.00000
     71      -8.8448      1.00000
     72      -8.6013      1.00000
     73      -8.5666      1.00000
     74      -8.1237      1.00000
     75      -8.0459      1.00000
     76      -7.9499      1.00000
     77      -7.8298      1.00000
     78      -7.7918      1.00000
     79      -7.7317      1.00000
     80      -7.6924      1.00000
     81      -7.3497      1.00000
     82      -7.3341      1.00000
     83      -7.3280      1.00000
     84      -7.2709      1.00000
     85      -7.0662      1.00000
     86      -6.9808      1.00000
     87      -6.8257      1.00000
     88      -6.7506      1.00000
     89      -6.6433      1.00000
     90      -6.5648      1.00000
     91      -6.1382      1.00000
     92      -6.1072      1.00000
     93      -6.0918      1.00000
     94      -5.9665      1.00000
     95      -5.7355      1.00000
     96      -5.3969      1.00000
     97      -5.2088      1.00000
     98      -4.9405      1.00000
     99      -4.7995      1.00000
    100      -4.6383      1.00000
    101      -4.5377      1.00000
    102      -4.4856      1.00000
    103      -4.3646      1.00000
    104      -4.0455      1.00000
    105      -3.8150      1.00000
    106      -3.5701      1.00000
    107      -2.9454      0.00000
    108      -1.7194      0.00000
    109      -1.6762      0.00000
    110      -1.2943      0.00000
    111      -1.2718      0.00000
    112      -1.2464      0.00000
    113      -1.2148      0.00000
    114      -0.5619      0.00000
    115      -0.1900      0.00000
    116      -0.1717      0.00000
    117       0.6274      0.00000
    118       0.6742      0.00000
    119       0.7265      0.00000
    120       0.9845      0.00000
    121       1.1159      0.00000
    122       1.2391      0.00000
    123       1.3367      0.00000
    124       1.4395      0.00000
    125       1.4933      0.00000
    126       1.7361      0.00000
    127       1.7583      0.00000
    128       1.7973      0.00000
    129       1.8534      0.00000
    130       1.9489      0.00000
    131       2.1652      0.00000
    132       2.2061      0.00000
    133       2.2500      0.00000
    134       2.4266      0.00000
    135       2.5055      0.00000
    136       2.6006      0.00000
    137       2.6849      0.00000
    138       2.6933      0.00000
    139       2.7702      0.00000
    140       2.7929      0.00000
    141       2.8476      0.00000
    142       2.8546      0.00000
    143       2.9869      0.00000
    144       3.0495      0.00000
    145       3.2606      0.00000
    146       3.3483      0.00000
    147       3.3610      0.00000
    148       3.4411      0.00000
    149       3.5156      0.00000
    150       3.5655      0.00000
    151       3.6452      0.00000
    152       3.7188      0.00000
    153       3.7560      0.00000
    154       3.9235      0.00000
    155       3.9504      0.00000
    156       4.0270      0.00000
    157       4.0721      0.00000
    158       4.1532      0.00000
    159       4.2319      0.00000
    160       4.2647      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2239      1.00000
      2     -22.0324      1.00000
      3     -21.6730      1.00000
      4     -21.6423      1.00000
      5     -20.9296      1.00000
      6     -20.8978      1.00000
      7     -20.5690      1.00000
      8     -20.5341      1.00000
      9     -20.5247      1.00000
     10     -19.9926      1.00000
     11     -19.4669      1.00000
     12     -19.4374      1.00000
     13     -19.2750      1.00000
     14     -19.2547      1.00000
     15     -18.4076      1.00000
     16     -18.3687      1.00000
     17     -17.8964      1.00000
     18     -17.8655      1.00000
     19     -17.7192      1.00000
     20     -17.6836      1.00000
     21     -17.4093      1.00000
     22     -17.3833      1.00000
     23     -17.3064      1.00000
     24     -16.4326      1.00000
     25     -16.4124      1.00000
     26     -15.9193      1.00000
     27     -15.3885      1.00000
     28     -15.3603      1.00000
     29     -15.0723      1.00000
     30     -15.0465      1.00000
     31     -14.8384      1.00000
     32     -14.8046      1.00000
     33     -14.2555      1.00000
     34     -14.2164      1.00000
     35     -13.4137      1.00000
     36     -13.3627      1.00000
     37     -13.1602      1.00000
     38     -13.1312      1.00000
     39     -12.9373      1.00000
     40     -12.9284      1.00000
     41     -12.6031      1.00000
     42     -12.5707      1.00000
     43     -12.1715      1.00000
     44     -11.5631      1.00000
     45     -11.5025      1.00000
     46     -11.3004      1.00000
     47     -11.2495      1.00000
     48     -11.1229      1.00000
     49     -10.6809      1.00000
     50     -10.6342      1.00000
     51     -10.4485      1.00000
     52     -10.2908      1.00000
     53     -10.2752      1.00000
     54     -10.1604      1.00000
     55     -10.0848      1.00000
     56     -10.0705      1.00000
     57      -9.7889      1.00000
     58      -9.7430      1.00000
     59      -9.6950      1.00000
     60      -9.6741      1.00000
     61      -9.6625      1.00000
     62      -9.5983      1.00000
     63      -9.3385      1.00000
     64      -9.3234      1.00000
     65      -9.2857      1.00000
     66      -9.0297      1.00000
     67      -8.9356      1.00000
     68      -8.8423      1.00000
     69      -8.7616      1.00000
     70      -8.5912      1.00000
     71      -8.4956      1.00000
     72      -8.3704      1.00000
     73      -8.3639      1.00000
     74      -8.3039      1.00000
     75      -8.2452      1.00000
     76      -8.2432      1.00000
     77      -8.2225      1.00000
     78      -8.1957      1.00000
     79      -7.8730      1.00000
     80      -7.7456      1.00000
     81      -7.3725      1.00000
     82      -7.3166      1.00000
     83      -7.2993      1.00000
     84      -7.2082      1.00000
     85      -7.1816      1.00000
     86      -6.9499      1.00000
     87      -6.9316      1.00000
     88      -6.5920      1.00000
     89      -6.5408      1.00000
     90      -6.2645      1.00000
     91      -6.2011      1.00000
     92      -5.9827      1.00000
     93      -5.8155      1.00000
     94      -5.6700      1.00000
     95      -5.5148      1.00000
     96      -5.3315      1.00000
     97      -5.3063      1.00000
     98      -5.1928      1.00000
     99      -5.1909      1.00000
    100      -5.1091      1.00000
    101      -4.6899      1.00000
    102      -4.5496      1.00000
    103      -4.4512      1.00000
    104      -3.9153      1.00000
    105      -3.7078      1.00000
    106      -3.5360      1.00000
    107      -2.9677      0.00000
    108      -1.8179      0.00000
    109      -1.7628      0.00000
    110      -1.0876      0.00000
    111      -0.9706      0.00000
    112      -0.9432      0.00000
    113      -0.6488      0.00000
    114      -0.6041      0.00000
    115      -0.5700      0.00000
    116      -0.5330      0.00000
    117       0.1746      0.00000
    118       0.2559      0.00000
    119       0.7855      0.00000
    120       1.0032      0.00000
    121       1.1130      0.00000
    122       1.1672      0.00000
    123       1.3553      0.00000
    124       1.4771      0.00000
    125       1.5899      0.00000
    126       1.5950      0.00000
    127       1.6761      0.00000
    128       1.9009      0.00000
    129       1.9436      0.00000
    130       2.0224      0.00000
    131       2.1803      0.00000
    132       2.3393      0.00000
    133       2.3858      0.00000
    134       2.4070      0.00000
    135       2.5950      0.00000
    136       2.6799      0.00000
    137       2.7338      0.00000
    138       2.7735      0.00000
    139       2.8304      0.00000
    140       2.9998      0.00000
    141       3.0478      0.00000
    142       3.0757      0.00000
    143       3.1340      0.00000
    144       3.2514      0.00000
    145       3.3257      0.00000
    146       3.3798      0.00000
    147       3.4455      0.00000
    148       3.5376      0.00000
    149       3.5708      0.00000
    150       3.5996      0.00000
    151       3.6708      0.00000
    152       3.6980      0.00000
    153       3.7560      0.00000
    154       3.7791      0.00000
    155       3.7869      0.00000
    156       3.9273      0.00000
    157       3.9299      0.00000
    158       4.0278      0.00000
    159       4.1993      0.00000
    160       4.2675      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2608      1.00000
      2     -21.8898      1.00000
      3     -21.8761      1.00000
      4     -21.3279      1.00000
      5     -21.3154      1.00000
      6     -20.7727      1.00000
      7     -20.7570      1.00000
      8     -20.5802      1.00000
      9     -20.0305      1.00000
     10     -20.0280      1.00000
     11     -19.6731      1.00000
     12     -19.6582      1.00000
     13     -18.9494      1.00000
     14     -18.9492      1.00000
     15     -18.5930      1.00000
     16     -18.5929      1.00000
     17     -18.4202      1.00000
     18     -17.6453      1.00000
     19     -17.5890      1.00000
     20     -17.5674      1.00000
     21     -17.5620      1.00000
     22     -17.0741      1.00000
     23     -17.0731      1.00000
     24     -16.9196      1.00000
     25     -15.9534      1.00000
     26     -15.9037      1.00000
     27     -15.5497      1.00000
     28     -15.5329      1.00000
     29     -15.2688      1.00000
     30     -14.8183      1.00000
     31     -14.7956      1.00000
     32     -14.5434      1.00000
     33     -14.5121      1.00000
     34     -14.1308      1.00000
     35     -14.1260      1.00000
     36     -13.1059      1.00000
     37     -13.0445      1.00000
     38     -13.0203      1.00000
     39     -12.9889      1.00000
     40     -12.6783      1.00000
     41     -12.6762      1.00000
     42     -12.2885      1.00000
     43     -12.2810      1.00000
     44     -11.6520      1.00000
     45     -11.5979      1.00000
     46     -11.5390      1.00000
     47     -10.9404      1.00000
     48     -10.8904      1.00000
     49     -10.6390      1.00000
     50     -10.5987      1.00000
     51     -10.4748      1.00000
     52     -10.4634      1.00000
     53     -10.4079      1.00000
     54     -10.4046      1.00000
     55     -10.3189      1.00000
     56     -10.0410      1.00000
     57      -9.8764      1.00000
     58      -9.5903      1.00000
     59      -9.5255      1.00000
     60      -9.5030      1.00000
     61      -9.3772      1.00000
     62      -9.3737      1.00000
     63      -9.3445      1.00000
     64      -9.2948      1.00000
     65      -9.2423      1.00000
     66      -9.1686      1.00000
     67      -9.1244      1.00000
     68      -9.0818      1.00000
     69      -8.8438      1.00000
     70      -8.8231      1.00000
     71      -8.6821      1.00000
     72      -8.5752      1.00000
     73      -8.4203      1.00000
     74      -8.1985      1.00000
     75      -8.1514      1.00000
     76      -7.9725      1.00000
     77      -7.8846      1.00000
     78      -7.8219      1.00000
     79      -7.7964      1.00000
     80      -7.7670      1.00000
     81      -7.6778      1.00000
     82      -7.6217      1.00000
     83      -7.4107      1.00000
     84      -7.3513      1.00000
     85      -6.8996      1.00000
     86      -6.8907      1.00000
     87      -6.7310      1.00000
     88      -6.6475      1.00000
     89      -6.4113      1.00000
     90      -6.3324      1.00000
     91      -6.2888      1.00000
     92      -6.1812      1.00000
     93      -5.9737      1.00000
     94      -5.5824      1.00000
     95      -5.4782      1.00000
     96      -5.4122      1.00000
     97      -5.3718      1.00000
     98      -5.1948      1.00000
     99      -5.1081      1.00000
    100      -4.7531      1.00000
    101      -4.7039      1.00000
    102      -4.5695      1.00000
    103      -4.4194      1.00000
    104      -4.2019      1.00000
    105      -3.5537      1.00000
    106      -3.3958      1.00000
    107      -3.0506      0.00000
    108      -2.1031      0.00000
    109      -1.2442      0.00000
    110      -1.2049      0.00000
    111      -1.1767      0.00000
    112      -0.9341      0.00000
    113      -0.8352      0.00000
    114      -0.7854      0.00000
    115      -0.7036      0.00000
    116       0.1976      0.00000
    117       0.2030      0.00000
    118       0.3053      0.00000
    119       0.7637      0.00000
    120       0.8210      0.00000
    121       0.9115      0.00000
    122       1.1160      0.00000
    123       1.3252      0.00000
    124       1.5041      0.00000
    125       1.5740      0.00000
    126       1.8060      0.00000
    127       1.8326      0.00000
    128       1.8693      0.00000
    129       1.9628      0.00000
    130       1.9732      0.00000
    131       2.2490      0.00000
    132       2.3983      0.00000
    133       2.4075      0.00000
    134       2.4221      0.00000
    135       2.5571      0.00000
    136       2.5803      0.00000
    137       2.6291      0.00000
    138       2.7111      0.00000
    139       2.7340      0.00000
    140       2.9561      0.00000
    141       3.0484      0.00000
    142       3.1229      0.00000
    143       3.1842      0.00000
    144       3.2237      0.00000
    145       3.2257      0.00000
    146       3.3061      0.00000
    147       3.3232      0.00000
    148       3.5081      0.00000
    149       3.5135      0.00000
    150       3.6239      0.00000
    151       3.6936      0.00000
    152       3.7103      0.00000
    153       3.7934      0.00000
    154       3.9252      0.00000
    155       3.9715      0.00000
    156       3.9762      0.00000
    157       3.9902      0.00000
    158       4.0016      0.00000
    159       4.0311      0.00000
    160       4.1377      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1293      1.00000
      2     -22.0900      1.00000
      3     -21.9190      1.00000
      4     -21.3596      1.00000
      5     -21.0052      1.00000
      6     -20.9691      1.00000
      7     -20.4535      1.00000
      8     -20.4153      1.00000
      9     -20.2623      1.00000
     10     -20.2324      1.00000
     11     -19.9013      1.00000
     12     -19.8632      1.00000
     13     -18.8284      1.00000
     14     -18.7845      1.00000
     15     -18.3130      1.00000
     16     -18.2625      1.00000
     17     -18.1222      1.00000
     18     -18.0925      1.00000
     19     -17.7865      1.00000
     20     -17.7475      1.00000
     21     -17.2269      1.00000
     22     -17.1938      1.00000
     23     -17.1338      1.00000
     24     -17.0938      1.00000
     25     -16.0595      1.00000
     26     -15.8590      1.00000
     27     -15.8231      1.00000
     28     -15.7892      1.00000
     29     -15.2100      1.00000
     30     -14.5301      1.00000
     31     -14.4849      1.00000
     32     -14.2542      1.00000
     33     -13.9315      1.00000
     34     -13.9195      1.00000
     35     -13.7932      1.00000
     36     -13.7632      1.00000
     37     -13.5827      1.00000
     38     -13.5346      1.00000
     39     -13.3242      1.00000
     40     -12.5860      1.00000
     41     -12.1755      1.00000
     42     -12.1014      1.00000
     43     -12.0349      1.00000
     44     -11.9902      1.00000
     45     -11.6581      1.00000
     46     -11.6232      1.00000
     47     -11.1378      1.00000
     48     -11.0835      1.00000
     49     -10.7806      1.00000
     50     -10.7037      1.00000
     51     -10.4055      1.00000
     52     -10.1960      1.00000
     53     -10.1677      1.00000
     54     -10.1278      1.00000
     55      -9.9948      1.00000
     56      -9.9835      1.00000
     57      -9.9417      1.00000
     58      -9.7939      1.00000
     59      -9.7747      1.00000
     60      -9.7412      1.00000
     61      -9.7225      1.00000
     62      -9.4369      1.00000
     63      -9.3357      1.00000
     64      -9.0893      1.00000
     65      -9.0481      1.00000
     66      -9.0022      1.00000
     67      -8.8913      1.00000
     68      -8.8265      1.00000
     69      -8.7088      1.00000
     70      -8.6679      1.00000
     71      -8.5664      1.00000
     72      -8.5065      1.00000
     73      -8.4713      1.00000
     74      -8.4397      1.00000
     75      -8.3320      1.00000
     76      -8.1987      1.00000
     77      -8.0673      1.00000
     78      -7.9814      1.00000
     79      -7.9061      1.00000
     80      -7.8820      1.00000
     81      -7.6958      1.00000
     82      -7.5616      1.00000
     83      -7.4931      1.00000
     84      -6.9803      1.00000
     85      -6.9115      1.00000
     86      -6.8615      1.00000
     87      -6.7416      1.00000
     88      -6.5193      1.00000
     89      -6.4676      1.00000
     90      -6.3798      1.00000
     91      -6.1925      1.00000
     92      -5.9307      1.00000
     93      -5.7965      1.00000
     94      -5.7511      1.00000
     95      -5.5571      1.00000
     96      -5.3771      1.00000
     97      -5.2443      1.00000
     98      -5.1962      1.00000
     99      -5.1827      1.00000
    100      -5.1237      1.00000
    101      -4.8097      1.00000
    102      -4.5394      1.00000
    103      -4.4573      1.00000
    104      -4.2458      1.00000
    105      -3.5548      1.00000
    106      -3.2908      1.00000
    107      -2.9399      0.00000
    108      -2.3444      0.00000
    109      -1.1845      0.00000
    110      -1.1647      0.00000
    111      -1.1134      0.00000
    112      -1.0609      0.00000
    113      -0.5043      0.00000
    114      -0.4572      0.00000
    115      -0.2968      0.00000
    116      -0.2734      0.00000
    117      -0.0010      0.00000
    118       0.0341      0.00000
    119       0.5318      0.00000
    120       0.6424      0.00000
    121       0.8799      0.00000
    122       0.9761      0.00000
    123       1.1875      0.00000
    124       1.5289      0.00000
    125       1.7547      0.00000
    126       1.7735      0.00000
    127       2.0078      0.00000
    128       2.1068      0.00000
    129       2.1295      0.00000
    130       2.1439      0.00000
    131       2.2579      0.00000
    132       2.3052      0.00000
    133       2.3541      0.00000
    134       2.4587      0.00000
    135       2.6664      0.00000
    136       2.7554      0.00000
    137       2.7955      0.00000
    138       2.8777      0.00000
    139       2.9540      0.00000
    140       2.9922      0.00000
    141       3.0494      0.00000
    142       3.1056      0.00000
    143       3.1611      0.00000
    144       3.2307      0.00000
    145       3.2599      0.00000
    146       3.2933      0.00000
    147       3.3244      0.00000
    148       3.3480      0.00000
    149       3.3902      0.00000
    150       3.5291      0.00000
    151       3.6009      0.00000
    152       3.6631      0.00000
    153       3.6878      0.00000
    154       3.7052      0.00000
    155       3.7255      0.00000
    156       3.7872      0.00000
    157       3.9556      0.00000
    158       4.0529      0.00000
    159       4.1235      0.00000
    160       4.2554      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2604      1.00000
      2     -21.9022      1.00000
      3     -21.8638      1.00000
      4     -21.3396      1.00000
      5     -21.3038      1.00000
      6     -20.7837      1.00000
      7     -20.7452      1.00000
      8     -20.5792      1.00000
      9     -20.0488      1.00000
     10     -20.0132      1.00000
     11     -19.6818      1.00000
     12     -19.6467      1.00000
     13     -18.9695      1.00000
     14     -18.9319      1.00000
     15     -18.6139      1.00000
     16     -18.5768      1.00000
     17     -18.4180      1.00000
     18     -17.6336      1.00000
     19     -17.5872      1.00000
     20     -17.5671      1.00000
     21     -17.5494      1.00000
     22     -17.0994      1.00000
     23     -17.0568      1.00000
     24     -16.9395      1.00000
     25     -15.9827      1.00000
     26     -15.8718      1.00000
     27     -15.5673      1.00000
     28     -15.5294      1.00000
     29     -15.2328      1.00000
     30     -14.8498      1.00000
     31     -14.7929      1.00000
     32     -14.5381      1.00000
     33     -14.5007      1.00000
     34     -14.1306      1.00000
     35     -14.1184      1.00000
     36     -13.1568      1.00000
     37     -13.0499      1.00000
     38     -12.9958      1.00000
     39     -12.9769      1.00000
     40     -12.6994      1.00000
     41     -12.6548      1.00000
     42     -12.2975      1.00000
     43     -12.2818      1.00000
     44     -11.6215      1.00000
     45     -11.5882      1.00000
     46     -11.5277      1.00000
     47     -10.9235      1.00000
     48     -10.8995      1.00000
     49     -10.7129      1.00000
     50     -10.5657      1.00000
     51     -10.5354      1.00000
     52     -10.4690      1.00000
     53     -10.4259      1.00000
     54     -10.3668      1.00000
     55     -10.3145      1.00000
     56     -10.0351      1.00000
     57      -9.8710      1.00000
     58      -9.6012      1.00000
     59      -9.5213      1.00000
     60      -9.4543      1.00000
     61      -9.4086      1.00000
     62      -9.3710      1.00000
     63      -9.3409      1.00000
     64      -9.2975      1.00000
     65      -9.2468      1.00000
     66      -9.1362      1.00000
     67      -9.0905      1.00000
     68      -9.0731      1.00000
     69      -8.8514      1.00000
     70      -8.8359      1.00000
     71      -8.7035      1.00000
     72      -8.5606      1.00000
     73      -8.4384      1.00000
     74      -8.1970      1.00000
     75      -8.1737      1.00000
     76      -8.0384      1.00000
     77      -7.8671      1.00000
     78      -7.8032      1.00000
     79      -7.7693      1.00000
     80      -7.7188      1.00000
     81      -7.6779      1.00000
     82      -7.6426      1.00000
     83      -7.4472      1.00000
     84      -7.3088      1.00000
     85      -6.9185      1.00000
     86      -6.8921      1.00000
     87      -6.7753      1.00000
     88      -6.5581      1.00000
     89      -6.3877      1.00000
     90      -6.3241      1.00000
     91      -6.2784      1.00000
     92      -6.1712      1.00000
     93      -6.0684      1.00000
     94      -5.7832      1.00000
     95      -5.5326      1.00000
     96      -5.3568      1.00000
     97      -5.2053      1.00000
     98      -5.1783      1.00000
     99      -5.0305      1.00000
    100      -4.8140      1.00000
    101      -4.6699      1.00000
    102      -4.4932      1.00000
    103      -4.4312      1.00000
    104      -4.2371      1.00000
    105      -3.6328      1.00000
    106      -3.5462      1.00000
    107      -2.8464      0.00000
    108      -2.1364      0.00000
    109      -1.2474      0.00000
    110      -1.1891      0.00000
    111      -1.1792      0.00000
    112      -0.8846      0.00000
    113      -0.8687      0.00000
    114      -0.7861      0.00000
    115      -0.7539      0.00000
    116       0.1417      0.00000
    117       0.2428      0.00000
    118       0.3161      0.00000
    119       0.7168      0.00000
    120       0.8569      0.00000
    121       0.9364      0.00000
    122       1.1640      0.00000
    123       1.2570      0.00000
    124       1.5182      0.00000
    125       1.5691      0.00000
    126       1.7986      0.00000
    127       1.8821      0.00000
    128       1.8834      0.00000
    129       1.9593      0.00000
    130       2.0447      0.00000
    131       2.2175      0.00000
    132       2.3309      0.00000
    133       2.4193      0.00000
    134       2.4354      0.00000
    135       2.5766      0.00000
    136       2.6063      0.00000
    137       2.6646      0.00000
    138       2.7136      0.00000
    139       2.7477      0.00000
    140       2.8864      0.00000
    141       3.0342      0.00000
    142       3.1321      0.00000
    143       3.1926      0.00000
    144       3.2140      0.00000
    145       3.2361      0.00000
    146       3.2759      0.00000
    147       3.3176      0.00000
    148       3.4400      0.00000
    149       3.5322      0.00000
    150       3.6038      0.00000
    151       3.6938      0.00000
    152       3.7005      0.00000
    153       3.8521      0.00000
    154       3.9010      0.00000
    155       3.9251      0.00000
    156       3.9552      0.00000
    157       4.0026      0.00000
    158       4.0083      0.00000
    159       4.0673      0.00000
    160       4.1377      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3353      1.00000
      2     -21.7748      1.00000
      3     -21.5943      1.00000
      4     -21.5694      1.00000
      5     -21.2249      1.00000
      6     -21.1955      1.00000
      7     -21.0194      1.00000
      8     -20.1202      1.00000
      9     -20.0883      1.00000
     10     -19.5785      1.00000
     11     -19.5442      1.00000
     12     -19.3730      1.00000
     13     -19.0618      1.00000
     14     -19.0214      1.00000
     15     -19.0048      1.00000
     16     -18.9869      1.00000
     17     -18.3347      1.00000
     18     -18.3038      1.00000
     19     -17.9734      1.00000
     20     -17.0238      1.00000
     21     -16.9821      1.00000
     22     -16.9263      1.00000
     23     -16.9006      1.00000
     24     -16.4566      1.00000
     25     -16.4217      1.00000
     26     -15.5782      1.00000
     27     -15.5497      1.00000
     28     -15.2049      1.00000
     29     -15.1826      1.00000
     30     -15.1620      1.00000
     31     -15.0826      1.00000
     32     -15.0288      1.00000
     33     -14.6723      1.00000
     34     -14.6456      1.00000
     35     -13.7056      1.00000
     36     -13.6733      1.00000
     37     -13.2059      1.00000
     38     -12.6392      1.00000
     39     -12.5385      1.00000
     40     -12.4260      1.00000
     41     -12.4036      1.00000
     42     -12.0752      1.00000
     43     -12.0539      1.00000
     44     -11.6812      1.00000
     45     -11.6492      1.00000
     46     -11.2885      1.00000
     47     -11.1865      1.00000
     48     -10.9953      1.00000
     49     -10.9635      1.00000
     50     -10.8911      1.00000
     51     -10.8590      1.00000
     52     -10.5630      1.00000
     53     -10.2062      1.00000
     54     -10.1160      1.00000
     55     -10.0578      1.00000
     56      -9.8902      1.00000
     57      -9.6636      1.00000
     58      -9.6629      1.00000
     59      -9.6271      1.00000
     60      -9.6022      1.00000
     61      -9.5348      1.00000
     62      -9.4753      1.00000
     63      -9.3123      1.00000
     64      -9.2637      1.00000
     65      -9.2258      1.00000
     66      -9.1936      1.00000
     67      -9.0943      1.00000
     68      -9.0904      1.00000
     69      -9.0690      1.00000
     70      -8.9034      1.00000
     71      -8.8429      1.00000
     72      -8.5751      1.00000
     73      -8.5620      1.00000
     74      -8.1697      1.00000
     75      -8.0111      1.00000
     76      -7.9462      1.00000
     77      -7.8863      1.00000
     78      -7.7784      1.00000
     79      -7.7266      1.00000
     80      -7.7124      1.00000
     81      -7.4029      1.00000
     82      -7.2811      1.00000
     83      -7.2446      1.00000
     84      -7.2196      1.00000
     85      -7.1530      1.00000
     86      -6.9721      1.00000
     87      -6.8569      1.00000
     88      -6.6948      1.00000
     89      -6.6629      1.00000
     90      -6.5857      1.00000
     91      -6.1591      1.00000
     92      -6.0853      1.00000
     93      -6.0748      1.00000
     94      -5.9117      1.00000
     95      -5.8824      1.00000
     96      -5.3763      1.00000
     97      -5.1921      1.00000
     98      -4.8735      1.00000
     99      -4.8564      1.00000
    100      -4.6468      1.00000
    101      -4.5238      1.00000
    102      -4.3907      1.00000
    103      -4.2661      1.00000
    104      -4.0648      1.00000
    105      -4.0402      1.00000
    106      -3.5644      1.00000
    107      -2.8678      0.00000
    108      -1.7052      0.00000
    109      -1.6998      0.00000
    110      -1.3087      0.00000
    111      -1.2608      0.00000
    112      -1.2316      0.00000
    113      -1.2288      0.00000
    114      -0.5655      0.00000
    115      -0.2562      0.00000
    116      -0.1163      0.00000
    117       0.5823      0.00000
    118       0.6709      0.00000
    119       0.8070      0.00000
    120       0.9565      0.00000
    121       1.1403      0.00000
    122       1.2055      0.00000
    123       1.2797      0.00000
    124       1.4474      0.00000
    125       1.6156      0.00000
    126       1.6834      0.00000
    127       1.7675      0.00000
    128       1.7754      0.00000
    129       1.9115      0.00000
    130       1.9360      0.00000
    131       2.1806      0.00000
    132       2.1921      0.00000
    133       2.2285      0.00000
    134       2.4704      0.00000
    135       2.4949      0.00000
    136       2.5825      0.00000
    137       2.6337      0.00000
    138       2.7066      0.00000
    139       2.8050      0.00000
    140       2.8186      0.00000
    141       2.8607      0.00000
    142       2.9459      0.00000
    143       2.9730      0.00000
    144       3.0144      0.00000
    145       3.1338      0.00000
    146       3.3419      0.00000
    147       3.3727      0.00000
    148       3.4143      0.00000
    149       3.5790      0.00000
    150       3.6019      0.00000
    151       3.6336      0.00000
    152       3.6652      0.00000
    153       3.7764      0.00000
    154       3.7914      0.00000
    155       3.9957      0.00000
    156       4.0310      0.00000
    157       4.0421      0.00000
    158       4.1133      0.00000
    159       4.2283      0.00000
    160       4.3432      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1194      1.00000
      2     -22.1018      1.00000
      3     -21.9172      1.00000
      4     -21.3601      1.00000
      5     -20.9931      1.00000
      6     -20.9809      1.00000
      7     -20.4417      1.00000
      8     -20.4275      1.00000
      9     -20.2475      1.00000
     10     -20.2458      1.00000
     11     -19.8903      1.00000
     12     -19.8752      1.00000
     13     -18.8244      1.00000
     14     -18.7967      1.00000
     15     -18.2835      1.00000
     16     -18.2780      1.00000
     17     -18.1135      1.00000
     18     -18.1067      1.00000
     19     -17.7655      1.00000
     20     -17.7616      1.00000
     21     -17.2313      1.00000
     22     -17.2028      1.00000
     23     -17.1143      1.00000
     24     -17.1010      1.00000
     25     -16.0911      1.00000
     26     -15.8340      1.00000
     27     -15.8237      1.00000
     28     -15.8073      1.00000
     29     -15.1832      1.00000
     30     -14.5140      1.00000
     31     -14.5004      1.00000
     32     -14.2287      1.00000
     33     -13.9631      1.00000
     34     -13.9243      1.00000
     35     -13.7898      1.00000
     36     -13.7767      1.00000
     37     -13.5603      1.00000
     38     -13.5412      1.00000
     39     -13.3300      1.00000
     40     -12.6102      1.00000
     41     -12.1312      1.00000
     42     -12.1202      1.00000
     43     -12.0099      1.00000
     44     -11.9918      1.00000
     45     -11.6501      1.00000
     46     -11.6346      1.00000
     47     -11.1414      1.00000
     48     -11.1041      1.00000
     49     -10.7643      1.00000
     50     -10.7052      1.00000
     51     -10.4434      1.00000
     52     -10.1722      1.00000
     53     -10.1646      1.00000
     54     -10.1486      1.00000
     55     -10.0027      1.00000
     56      -9.9626      1.00000
     57      -9.9370      1.00000
     58      -9.8136      1.00000
     59      -9.7637      1.00000
     60      -9.7439      1.00000
     61      -9.7287      1.00000
     62      -9.4366      1.00000
     63      -9.3334      1.00000
     64      -9.0772      1.00000
     65      -9.0392      1.00000
     66      -8.9703      1.00000
     67      -8.9407      1.00000
     68      -8.8022      1.00000
     69      -8.6822      1.00000
     70      -8.6658      1.00000
     71      -8.5507      1.00000
     72      -8.5185      1.00000
     73      -8.4445      1.00000
     74      -8.4382      1.00000
     75      -8.3005      1.00000
     76      -8.2316      1.00000
     77      -8.1078      1.00000
     78      -8.0489      1.00000
     79      -8.0246      1.00000
     80      -7.7873      1.00000
     81      -7.6022      1.00000
     82      -7.5933      1.00000
     83      -7.4636      1.00000
     84      -7.0004      1.00000
     85      -6.9460      1.00000
     86      -6.8603      1.00000
     87      -6.5762      1.00000
     88      -6.5440      1.00000
     89      -6.4594      1.00000
     90      -6.4094      1.00000
     91      -6.3308      1.00000
     92      -5.9854      1.00000
     93      -5.7697      1.00000
     94      -5.7279      1.00000
     95      -5.5592      1.00000
     96      -5.3798      1.00000
     97      -5.2045      1.00000
     98      -5.2007      1.00000
     99      -5.1787      1.00000
    100      -5.1568      1.00000
    101      -4.6497      1.00000
    102      -4.5015      1.00000
    103      -4.4420      1.00000
    104      -4.3849      1.00000
    105      -3.5721      1.00000
    106      -3.4317      1.00000
    107      -2.7348      0.00000
    108      -2.4089      0.00000
    109      -1.1666      0.00000
    110      -1.1555      0.00000
    111      -1.1487      0.00000
    112      -1.0539      0.00000
    113      -0.4885      0.00000
    114      -0.4788      0.00000
    115      -0.3247      0.00000
    116      -0.2486      0.00000
    117       0.0061      0.00000
    118       0.0090      0.00000
    119       0.5211      0.00000
    120       0.6624      0.00000
    121       0.8169      0.00000
    122       1.0045      0.00000
    123       1.2403      0.00000
    124       1.4941      0.00000
    125       1.7603      0.00000
    126       1.9532      0.00000
    127       1.9572      0.00000
    128       2.0268      0.00000
    129       2.0837      0.00000
    130       2.1795      0.00000
    131       2.2862      0.00000
    132       2.2923      0.00000
    133       2.3541      0.00000
    134       2.5576      0.00000
    135       2.6353      0.00000
    136       2.6807      0.00000
    137       2.8499      0.00000
    138       2.8894      0.00000
    139       2.9626      0.00000
    140       2.9692      0.00000
    141       3.1240      0.00000
    142       3.1405      0.00000
    143       3.1451      0.00000
    144       3.1809      0.00000
    145       3.2427      0.00000
    146       3.2456      0.00000
    147       3.3344      0.00000
    148       3.3569      0.00000
    149       3.3958      0.00000
    150       3.4099      0.00000
    151       3.5091      0.00000
    152       3.6256      0.00000
    153       3.6835      0.00000
    154       3.6934      0.00000
    155       3.8347      0.00000
    156       3.9079      0.00000
    157       3.9651      0.00000
    158       3.9890      0.00000
    159       4.1108      0.00000
    160       4.1985      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2227      1.00000
      2     -22.0346      1.00000
      3     -21.6701      1.00000
      4     -21.6442      1.00000
      5     -20.9291      1.00000
      6     -20.8986      1.00000
      7     -20.5593      1.00000
      8     -20.5389      1.00000
      9     -20.5285      1.00000
     10     -19.9916      1.00000
     11     -19.4686      1.00000
     12     -19.4357      1.00000
     13     -19.2825      1.00000
     14     -19.2554      1.00000
     15     -18.3998      1.00000
     16     -18.3679      1.00000
     17     -17.8986      1.00000
     18     -17.8664      1.00000
     19     -17.7150      1.00000
     20     -17.6807      1.00000
     21     -17.4136      1.00000
     22     -17.3828      1.00000
     23     -17.2939      1.00000
     24     -16.4562      1.00000
     25     -16.4170      1.00000
     26     -15.9355      1.00000
     27     -15.3815      1.00000
     28     -15.3535      1.00000
     29     -15.0699      1.00000
     30     -15.0402      1.00000
     31     -14.8104      1.00000
     32     -14.7889      1.00000
     33     -14.2852      1.00000
     34     -14.2138      1.00000
     35     -13.4423      1.00000
     36     -13.3597      1.00000
     37     -13.1541      1.00000
     38     -13.1224      1.00000
     39     -12.9607      1.00000
     40     -12.9303      1.00000
     41     -12.5879      1.00000
     42     -12.5607      1.00000
     43     -12.1717      1.00000
     44     -11.5386      1.00000
     45     -11.5027      1.00000
     46     -11.2768      1.00000
     47     -11.2482      1.00000
     48     -11.1288      1.00000
     49     -10.7681      1.00000
     50     -10.6280      1.00000
     51     -10.4505      1.00000
     52     -10.2806      1.00000
     53     -10.2736      1.00000
     54     -10.1671      1.00000
     55     -10.0911      1.00000
     56     -10.0574      1.00000
     57      -9.8057      1.00000
     58      -9.7031      1.00000
     59      -9.6894      1.00000
     60      -9.6824      1.00000
     61      -9.6700      1.00000
     62      -9.6050      1.00000
     63      -9.3430      1.00000
     64      -9.3158      1.00000
     65      -9.2915      1.00000
     66      -8.9690      1.00000
     67      -8.9285      1.00000
     68      -8.8789      1.00000
     69      -8.7478      1.00000
     70      -8.5644      1.00000
     71      -8.4837      1.00000
     72      -8.4004      1.00000
     73      -8.3617      1.00000
     74      -8.2850      1.00000
     75      -8.2391      1.00000
     76      -8.2267      1.00000
     77      -8.2120      1.00000
     78      -8.1968      1.00000
     79      -7.9939      1.00000
     80      -7.7797      1.00000
     81      -7.4123      1.00000
     82      -7.3161      1.00000
     83      -7.2369      1.00000
     84      -7.1401      1.00000
     85      -7.0960      1.00000
     86      -6.9568      1.00000
     87      -6.9095      1.00000
     88      -6.5891      1.00000
     89      -6.5541      1.00000
     90      -6.4340      1.00000
     91      -6.2517      1.00000
     92      -5.9034      1.00000
     93      -5.8228      1.00000
     94      -5.6753      1.00000
     95      -5.5843      1.00000
     96      -5.2948      1.00000
     97      -5.2600      1.00000
     98      -5.1852      1.00000
     99      -5.1843      1.00000
    100      -5.1608      1.00000
    101      -4.5222      1.00000
    102      -4.4555      1.00000
    103      -4.3978      1.00000
    104      -4.0768      1.00000
    105      -3.9286      1.00000
    106      -3.5177      1.00000
    107      -2.8173      0.00000
    108      -1.8057      0.00000
    109      -1.7938      0.00000
    110      -1.0763      0.00000
    111      -1.0119      0.00000
    112      -0.9282      0.00000
    113      -0.6564      0.00000
    114      -0.6055      0.00000
    115      -0.5694      0.00000
    116      -0.5298      0.00000
    117       0.1598      0.00000
    118       0.2634      0.00000
    119       0.7072      0.00000
    120       0.9732      0.00000
    121       1.0929      0.00000
    122       1.2550      0.00000
    123       1.4207      0.00000
    124       1.5318      0.00000
    125       1.5983      0.00000
    126       1.6216      0.00000
    127       1.6474      0.00000
    128       1.8414      0.00000
    129       1.9323      0.00000
    130       2.1075      0.00000
    131       2.1997      0.00000
    132       2.3357      0.00000
    133       2.3729      0.00000
    134       2.4693      0.00000
    135       2.6001      0.00000
    136       2.6598      0.00000
    137       2.7284      0.00000
    138       2.7403      0.00000
    139       2.8445      0.00000
    140       2.9500      0.00000
    141       3.0465      0.00000
    142       3.0699      0.00000
    143       3.1888      0.00000
    144       3.2833      0.00000
    145       3.3318      0.00000
    146       3.3369      0.00000
    147       3.4645      0.00000
    148       3.5261      0.00000
    149       3.5613      0.00000
    150       3.6003      0.00000
    151       3.6143      0.00000
    152       3.6877      0.00000
    153       3.7300      0.00000
    154       3.7640      0.00000
    155       3.7707      0.00000
    156       3.8437      0.00000
    157       3.9237      0.00000
    158       4.0004      0.00000
    159       4.0289      0.00000
    160       4.2729      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3729      1.00000
      2     -21.5059      1.00000
      3     -21.4308      1.00000
      4     -21.4305      1.00000
      5     -21.4189      1.00000
      6     -21.4086      1.00000
      7     -21.4045      1.00000
      8     -19.6671      1.00000
      9     -19.5974      1.00000
     10     -19.5923      1.00000
     11     -19.5806      1.00000
     12     -19.5686      1.00000
     13     -19.5655      1.00000
     14     -18.7661      1.00000
     15     -18.7035      1.00000
     16     -18.6965      1.00000
     17     -18.6833      1.00000
     18     -18.6753      1.00000
     19     -18.6701      1.00000
     20     -16.6324      1.00000
     21     -16.5500      1.00000
     22     -16.5442      1.00000
     23     -16.5354      1.00000
     24     -16.5261      1.00000
     25     -16.5222      1.00000
     26     -15.6073      1.00000
     27     -15.5664      1.00000
     28     -15.5236      1.00000
     29     -15.5222      1.00000
     30     -15.5198      1.00000
     31     -15.5164      1.00000
     32     -14.2562      1.00000
     33     -14.2212      1.00000
     34     -14.1952      1.00000
     35     -14.1945      1.00000
     36     -14.1768      1.00000
     37     -14.1712      1.00000
     38     -11.9851      1.00000
     39     -11.8727      1.00000
     40     -11.8246      1.00000
     41     -11.8097      1.00000
     42     -11.8087      1.00000
     43     -11.8028      1.00000
     44     -11.7292      1.00000
     45     -11.7239      1.00000
     46     -11.7056      1.00000
     47     -11.6971      1.00000
     48     -11.6908      1.00000
     49     -11.6823      1.00000
     50     -10.6444      1.00000
     51     -10.3749      1.00000
     52     -10.3583      1.00000
     53     -10.3364      1.00000
     54     -10.3287      1.00000
     55     -10.3209      1.00000
     56     -10.2966      1.00000
     57      -9.7924      1.00000
     58      -9.4113      1.00000
     59      -9.3915      1.00000
     60      -9.3532      1.00000
     61      -9.3427      1.00000
     62      -9.3331      1.00000
     63      -9.1752      1.00000
     64      -9.0803      1.00000
     65      -9.0769      1.00000
     66      -9.0634      1.00000
     67      -9.0592      1.00000
     68      -9.0323      1.00000
     69      -9.0297      1.00000
     70      -9.0261      1.00000
     71      -9.0134      1.00000
     72      -9.0039      1.00000
     73      -8.9944      1.00000
     74      -8.9744      1.00000
     75      -7.9871      1.00000
     76      -7.7013      1.00000
     77      -7.5079      1.00000
     78      -7.4853      1.00000
     79      -7.4623      1.00000
     80      -7.4115      1.00000
     81      -7.3961      1.00000
     82      -7.3778      1.00000
     83      -7.3466      1.00000
     84      -7.2246      1.00000
     85      -7.1825      1.00000
     86      -7.1777      1.00000
     87      -7.1744      1.00000
     88      -6.6143      1.00000
     89      -6.5776      1.00000
     90      -6.3663      1.00000
     91      -6.3571      1.00000
     92      -6.3179      1.00000
     93      -6.2938      1.00000
     94      -5.9414      1.00000
     95      -5.8961      1.00000
     96      -5.3607      1.00000
     97      -5.1940      1.00000
     98      -4.8402      1.00000
     99      -4.7159      1.00000
    100      -4.3636      1.00000
    101      -4.3575      1.00000
    102      -4.3467      1.00000
    103      -4.3353      1.00000
    104      -4.1691      1.00000
    105      -3.9336      1.00000
    106      -3.5929      1.00000
    107      -2.9233      0.00000
    108      -1.5528      0.00000
    109      -1.5509      0.00000
    110      -1.5378      0.00000
    111      -1.5377      0.00000
    112      -1.4796      0.00000
    113      -1.4648      0.00000
    114       0.0752      0.00000
    115       0.2364      0.00000
    116       0.2822      0.00000
    117       0.3013      0.00000
    118       0.3054      0.00000
    119       0.3722      0.00000
    120       0.6100      0.00000
    121       1.2660      0.00000
    122       1.3600      0.00000
    123       1.6938      0.00000
    124       1.7543      0.00000
    125       1.7787      0.00000
    126       1.7837      0.00000
    127       1.8471      0.00000
    128       1.8722      0.00000
    129       1.9992      0.00000
    130       2.0044      0.00000
    131       2.0158      0.00000
    132       2.0212      0.00000
    133       2.0231      0.00000
    134       2.0820      0.00000
    135       2.3092      0.00000
    136       2.4585      0.00000
    137       2.5749      0.00000
    138       2.5853      0.00000
    139       2.6187      0.00000
    140       2.7356      0.00000
    141       2.8315      0.00000
    142       3.0239      0.00000
    143       3.0316      0.00000
    144       3.0491      0.00000
    145       3.0624      0.00000
    146       3.0876      0.00000
    147       3.1062      0.00000
    148       3.4407      0.00000
    149       3.5373      0.00000
    150       3.5806      0.00000
    151       3.8948      0.00000
    152       3.9028      0.00000
    153       3.9426      0.00000
    154       3.9509      0.00000
    155       3.9792      0.00000
    156       4.0467      0.00000
    157       4.1582      0.00000
    158       4.2056      0.00000
    159       4.2526      0.00000
    160       4.2551      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3354      1.00000
      2     -21.7730      1.00000
      3     -21.5986      1.00000
      4     -21.5674      1.00000
      5     -21.2234      1.00000
      6     -21.1947      1.00000
      7     -21.0214      1.00000
      8     -20.1209      1.00000
      9     -20.0878      1.00000
     10     -19.5725      1.00000
     11     -19.5454      1.00000
     12     -19.3793      1.00000
     13     -19.0513      1.00000
     14     -19.0194      1.00000
     15     -19.0063      1.00000
     16     -18.9949      1.00000
     17     -18.3289      1.00000
     18     -18.3044      1.00000
     19     -17.9827      1.00000
     20     -17.0372      1.00000
     21     -16.9848      1.00000
     22     -16.9192      1.00000
     23     -16.8980      1.00000
     24     -16.4376      1.00000
     25     -16.4148      1.00000
     26     -15.5894      1.00000
     27     -15.5583      1.00000
     28     -15.2358      1.00000
     29     -15.1968      1.00000
     30     -15.1336      1.00000
     31     -15.0598      1.00000
     32     -15.0299      1.00000
     33     -14.6689      1.00000
     34     -14.6511      1.00000
     35     -13.7061      1.00000
     36     -13.6807      1.00000
     37     -13.2036      1.00000
     38     -12.5996      1.00000
     39     -12.5419      1.00000
     40     -12.4200      1.00000
     41     -12.4055      1.00000
     42     -12.1108      1.00000
     43     -12.0686      1.00000
     44     -11.6958      1.00000
     45     -11.6466      1.00000
     46     -11.2335      1.00000
     47     -11.1913      1.00000
     48     -11.0084      1.00000
     49     -10.9735      1.00000
     50     -10.9092      1.00000
     51     -10.8662      1.00000
     52     -10.5307      1.00000
     53     -10.1291      1.00000
     54     -10.1243      1.00000
     55     -10.0822      1.00000
     56      -9.9201      1.00000
     57      -9.7071      1.00000
     58      -9.6723      1.00000
     59      -9.6119      1.00000
     60      -9.5838      1.00000
     61      -9.5414      1.00000
     62      -9.4806      1.00000
     63      -9.2988      1.00000
     64      -9.2767      1.00000
     65      -9.2286      1.00000
     66      -9.1753      1.00000
     67      -9.1117      1.00000
     68      -9.0774      1.00000
     69      -9.0649      1.00000
     70      -8.9056      1.00000
     71      -8.8448      1.00000
     72      -8.6013      1.00000
     73      -8.5666      1.00000
     74      -8.1237      1.00000
     75      -8.0459      1.00000
     76      -7.9499      1.00000
     77      -7.8298      1.00000
     78      -7.7918      1.00000
     79      -7.7317      1.00000
     80      -7.6924      1.00000
     81      -7.3497      1.00000
     82      -7.3341      1.00000
     83      -7.3280      1.00000
     84      -7.2709      1.00000
     85      -7.0662      1.00000
     86      -6.9808      1.00000
     87      -6.8257      1.00000
     88      -6.7506      1.00000
     89      -6.6433      1.00000
     90      -6.5648      1.00000
     91      -6.1382      1.00000
     92      -6.1072      1.00000
     93      -6.0918      1.00000
     94      -5.9665      1.00000
     95      -5.7355      1.00000
     96      -5.3969      1.00000
     97      -5.2088      1.00000
     98      -4.9405      1.00000
     99      -4.7995      1.00000
    100      -4.6383      1.00000
    101      -4.5377      1.00000
    102      -4.4856      1.00000
    103      -4.3646      1.00000
    104      -4.0455      1.00000
    105      -3.8150      1.00000
    106      -3.5701      1.00000
    107      -2.9454      0.00000
    108      -1.7194      0.00000
    109      -1.6762      0.00000
    110      -1.2943      0.00000
    111      -1.2718      0.00000
    112      -1.2464      0.00000
    113      -1.2148      0.00000
    114      -0.5619      0.00000
    115      -0.1900      0.00000
    116      -0.1717      0.00000
    117       0.6274      0.00000
    118       0.6742      0.00000
    119       0.7265      0.00000
    120       0.9845      0.00000
    121       1.1159      0.00000
    122       1.2391      0.00000
    123       1.3367      0.00000
    124       1.4395      0.00000
    125       1.4933      0.00000
    126       1.7361      0.00000
    127       1.7583      0.00000
    128       1.7973      0.00000
    129       1.8534      0.00000
    130       1.9489      0.00000
    131       2.1652      0.00000
    132       2.2061      0.00000
    133       2.2500      0.00000
    134       2.4266      0.00000
    135       2.5055      0.00000
    136       2.6005      0.00000
    137       2.6849      0.00000
    138       2.6933      0.00000
    139       2.7702      0.00000
    140       2.7929      0.00000
    141       2.8475      0.00000
    142       2.8546      0.00000
    143       2.9869      0.00000
    144       3.0495      0.00000
    145       3.2606      0.00000
    146       3.3482      0.00000
    147       3.3610      0.00000
    148       3.4411      0.00000
    149       3.5156      0.00000
    150       3.5654      0.00000
    151       3.6451      0.00000
    152       3.7187      0.00000
    153       3.7560      0.00000
    154       3.9235      0.00000
    155       3.9504      0.00000
    156       4.0269      0.00000
    157       4.0721      0.00000
    158       4.1531      0.00000
    159       4.2321      0.00000
    160       4.2647      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2239      1.00000
      2     -22.0324      1.00000
      3     -21.6730      1.00000
      4     -21.6423      1.00000
      5     -20.9296      1.00000
      6     -20.8978      1.00000
      7     -20.5690      1.00000
      8     -20.5341      1.00000
      9     -20.5247      1.00000
     10     -19.9926      1.00000
     11     -19.4669      1.00000
     12     -19.4374      1.00000
     13     -19.2750      1.00000
     14     -19.2547      1.00000
     15     -18.4076      1.00000
     16     -18.3687      1.00000
     17     -17.8964      1.00000
     18     -17.8655      1.00000
     19     -17.7192      1.00000
     20     -17.6836      1.00000
     21     -17.4093      1.00000
     22     -17.3833      1.00000
     23     -17.3064      1.00000
     24     -16.4326      1.00000
     25     -16.4124      1.00000
     26     -15.9193      1.00000
     27     -15.3885      1.00000
     28     -15.3603      1.00000
     29     -15.0723      1.00000
     30     -15.0465      1.00000
     31     -14.8384      1.00000
     32     -14.8046      1.00000
     33     -14.2555      1.00000
     34     -14.2164      1.00000
     35     -13.4137      1.00000
     36     -13.3627      1.00000
     37     -13.1602      1.00000
     38     -13.1312      1.00000
     39     -12.9373      1.00000
     40     -12.9284      1.00000
     41     -12.6031      1.00000
     42     -12.5707      1.00000
     43     -12.1715      1.00000
     44     -11.5631      1.00000
     45     -11.5025      1.00000
     46     -11.3004      1.00000
     47     -11.2495      1.00000
     48     -11.1229      1.00000
     49     -10.6809      1.00000
     50     -10.6342      1.00000
     51     -10.4485      1.00000
     52     -10.2908      1.00000
     53     -10.2752      1.00000
     54     -10.1604      1.00000
     55     -10.0848      1.00000
     56     -10.0705      1.00000
     57      -9.7889      1.00000
     58      -9.7430      1.00000
     59      -9.6950      1.00000
     60      -9.6741      1.00000
     61      -9.6625      1.00000
     62      -9.5983      1.00000
     63      -9.3385      1.00000
     64      -9.3234      1.00000
     65      -9.2857      1.00000
     66      -9.0297      1.00000
     67      -8.9356      1.00000
     68      -8.8423      1.00000
     69      -8.7616      1.00000
     70      -8.5912      1.00000
     71      -8.4956      1.00000
     72      -8.3704      1.00000
     73      -8.3639      1.00000
     74      -8.3039      1.00000
     75      -8.2452      1.00000
     76      -8.2432      1.00000
     77      -8.2225      1.00000
     78      -8.1957      1.00000
     79      -7.8730      1.00000
     80      -7.7456      1.00000
     81      -7.3725      1.00000
     82      -7.3166      1.00000
     83      -7.2993      1.00000
     84      -7.2082      1.00000
     85      -7.1816      1.00000
     86      -6.9499      1.00000
     87      -6.9316      1.00000
     88      -6.5920      1.00000
     89      -6.5408      1.00000
     90      -6.2645      1.00000
     91      -6.2011      1.00000
     92      -5.9827      1.00000
     93      -5.8155      1.00000
     94      -5.6700      1.00000
     95      -5.5148      1.00000
     96      -5.3315      1.00000
     97      -5.3063      1.00000
     98      -5.1928      1.00000
     99      -5.1909      1.00000
    100      -5.1091      1.00000
    101      -4.6899      1.00000
    102      -4.5496      1.00000
    103      -4.4512      1.00000
    104      -3.9153      1.00000
    105      -3.7078      1.00000
    106      -3.5360      1.00000
    107      -2.9677      0.00000
    108      -1.8179      0.00000
    109      -1.7628      0.00000
    110      -1.0876      0.00000
    111      -0.9706      0.00000
    112      -0.9432      0.00000
    113      -0.6488      0.00000
    114      -0.6041      0.00000
    115      -0.5700      0.00000
    116      -0.5330      0.00000
    117       0.1746      0.00000
    118       0.2559      0.00000
    119       0.7855      0.00000
    120       1.0032      0.00000
    121       1.1130      0.00000
    122       1.1672      0.00000
    123       1.3553      0.00000
    124       1.4771      0.00000
    125       1.5899      0.00000
    126       1.5950      0.00000
    127       1.6761      0.00000
    128       1.9009      0.00000
    129       1.9435      0.00000
    130       2.0224      0.00000
    131       2.1802      0.00000
    132       2.3393      0.00000
    133       2.3858      0.00000
    134       2.4070      0.00000
    135       2.5949      0.00000
    136       2.6799      0.00000
    137       2.7338      0.00000
    138       2.7735      0.00000
    139       2.8304      0.00000
    140       2.9998      0.00000
    141       3.0478      0.00000
    142       3.0757      0.00000
    143       3.1340      0.00000
    144       3.2514      0.00000
    145       3.3257      0.00000
    146       3.3798      0.00000
    147       3.4455      0.00000
    148       3.5376      0.00000
    149       3.5708      0.00000
    150       3.5996      0.00000
    151       3.6708      0.00000
    152       3.6980      0.00000
    153       3.7559      0.00000
    154       3.7790      0.00000
    155       3.7869      0.00000
    156       3.9272      0.00000
    157       3.9299      0.00000
    158       4.0278      0.00000
    159       4.2000      0.00000
    160       4.2625      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2608      1.00000
      2     -21.8898      1.00000
      3     -21.8761      1.00000
      4     -21.3279      1.00000
      5     -21.3154      1.00000
      6     -20.7727      1.00000
      7     -20.7570      1.00000
      8     -20.5802      1.00000
      9     -20.0305      1.00000
     10     -20.0280      1.00000
     11     -19.6731      1.00000
     12     -19.6582      1.00000
     13     -18.9494      1.00000
     14     -18.9492      1.00000
     15     -18.5930      1.00000
     16     -18.5929      1.00000
     17     -18.4202      1.00000
     18     -17.6453      1.00000
     19     -17.5890      1.00000
     20     -17.5674      1.00000
     21     -17.5620      1.00000
     22     -17.0741      1.00000
     23     -17.0731      1.00000
     24     -16.9196      1.00000
     25     -15.9534      1.00000
     26     -15.9037      1.00000
     27     -15.5497      1.00000
     28     -15.5329      1.00000
     29     -15.2688      1.00000
     30     -14.8183      1.00000
     31     -14.7956      1.00000
     32     -14.5434      1.00000
     33     -14.5121      1.00000
     34     -14.1308      1.00000
     35     -14.1260      1.00000
     36     -13.1059      1.00000
     37     -13.0445      1.00000
     38     -13.0203      1.00000
     39     -12.9889      1.00000
     40     -12.6783      1.00000
     41     -12.6762      1.00000
     42     -12.2885      1.00000
     43     -12.2810      1.00000
     44     -11.6520      1.00000
     45     -11.5979      1.00000
     46     -11.5390      1.00000
     47     -10.9404      1.00000
     48     -10.8904      1.00000
     49     -10.6390      1.00000
     50     -10.5987      1.00000
     51     -10.4748      1.00000
     52     -10.4634      1.00000
     53     -10.4079      1.00000
     54     -10.4046      1.00000
     55     -10.3189      1.00000
     56     -10.0410      1.00000
     57      -9.8764      1.00000
     58      -9.5903      1.00000
     59      -9.5255      1.00000
     60      -9.5030      1.00000
     61      -9.3772      1.00000
     62      -9.3737      1.00000
     63      -9.3445      1.00000
     64      -9.2948      1.00000
     65      -9.2423      1.00000
     66      -9.1686      1.00000
     67      -9.1244      1.00000
     68      -9.0818      1.00000
     69      -8.8438      1.00000
     70      -8.8231      1.00000
     71      -8.6821      1.00000
     72      -8.5752      1.00000
     73      -8.4203      1.00000
     74      -8.1985      1.00000
     75      -8.1514      1.00000
     76      -7.9725      1.00000
     77      -7.8846      1.00000
     78      -7.8219      1.00000
     79      -7.7964      1.00000
     80      -7.7670      1.00000
     81      -7.6778      1.00000
     82      -7.6217      1.00000
     83      -7.4107      1.00000
     84      -7.3513      1.00000
     85      -6.8996      1.00000
     86      -6.8907      1.00000
     87      -6.7310      1.00000
     88      -6.6475      1.00000
     89      -6.4113      1.00000
     90      -6.3324      1.00000
     91      -6.2888      1.00000
     92      -6.1812      1.00000
     93      -5.9737      1.00000
     94      -5.5824      1.00000
     95      -5.4782      1.00000
     96      -5.4122      1.00000
     97      -5.3718      1.00000
     98      -5.1948      1.00000
     99      -5.1081      1.00000
    100      -4.7531      1.00000
    101      -4.7039      1.00000
    102      -4.5695      1.00000
    103      -4.4194      1.00000
    104      -4.2019      1.00000
    105      -3.5537      1.00000
    106      -3.3958      1.00000
    107      -3.0506      0.00000
    108      -2.1031      0.00000
    109      -1.2442      0.00000
    110      -1.2049      0.00000
    111      -1.1767      0.00000
    112      -0.9341      0.00000
    113      -0.8352      0.00000
    114      -0.7854      0.00000
    115      -0.7036      0.00000
    116       0.1976      0.00000
    117       0.2030      0.00000
    118       0.3053      0.00000
    119       0.7637      0.00000
    120       0.8210      0.00000
    121       0.9115      0.00000
    122       1.1160      0.00000
    123       1.3252      0.00000
    124       1.5041      0.00000
    125       1.5740      0.00000
    126       1.8060      0.00000
    127       1.8326      0.00000
    128       1.8693      0.00000
    129       1.9628      0.00000
    130       1.9732      0.00000
    131       2.2490      0.00000
    132       2.3983      0.00000
    133       2.4075      0.00000
    134       2.4221      0.00000
    135       2.5571      0.00000
    136       2.5803      0.00000
    137       2.6291      0.00000
    138       2.7111      0.00000
    139       2.7339      0.00000
    140       2.9561      0.00000
    141       3.0484      0.00000
    142       3.1229      0.00000
    143       3.1842      0.00000
    144       3.2236      0.00000
    145       3.2257      0.00000
    146       3.3061      0.00000
    147       3.3232      0.00000
    148       3.5081      0.00000
    149       3.5135      0.00000
    150       3.6238      0.00000
    151       3.6936      0.00000
    152       3.7102      0.00000
    153       3.7934      0.00000
    154       3.9252      0.00000
    155       3.9714      0.00000
    156       3.9762      0.00000
    157       3.9902      0.00000
    158       4.0016      0.00000
    159       4.0311      0.00000
    160       4.1376      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1293      1.00000
      2     -22.0900      1.00000
      3     -21.9190      1.00000
      4     -21.3596      1.00000
      5     -21.0052      1.00000
      6     -20.9691      1.00000
      7     -20.4535      1.00000
      8     -20.4153      1.00000
      9     -20.2623      1.00000
     10     -20.2324      1.00000
     11     -19.9013      1.00000
     12     -19.8632      1.00000
     13     -18.8284      1.00000
     14     -18.7845      1.00000
     15     -18.3130      1.00000
     16     -18.2625      1.00000
     17     -18.1222      1.00000
     18     -18.0925      1.00000
     19     -17.7865      1.00000
     20     -17.7475      1.00000
     21     -17.2269      1.00000
     22     -17.1938      1.00000
     23     -17.1338      1.00000
     24     -17.0938      1.00000
     25     -16.0595      1.00000
     26     -15.8590      1.00000
     27     -15.8231      1.00000
     28     -15.7892      1.00000
     29     -15.2100      1.00000
     30     -14.5301      1.00000
     31     -14.4849      1.00000
     32     -14.2542      1.00000
     33     -13.9315      1.00000
     34     -13.9195      1.00000
     35     -13.7932      1.00000
     36     -13.7632      1.00000
     37     -13.5827      1.00000
     38     -13.5346      1.00000
     39     -13.3242      1.00000
     40     -12.5860      1.00000
     41     -12.1755      1.00000
     42     -12.1014      1.00000
     43     -12.0349      1.00000
     44     -11.9902      1.00000
     45     -11.6581      1.00000
     46     -11.6232      1.00000
     47     -11.1378      1.00000
     48     -11.0835      1.00000
     49     -10.7806      1.00000
     50     -10.7037      1.00000
     51     -10.4055      1.00000
     52     -10.1960      1.00000
     53     -10.1677      1.00000
     54     -10.1278      1.00000
     55      -9.9948      1.00000
     56      -9.9835      1.00000
     57      -9.9417      1.00000
     58      -9.7939      1.00000
     59      -9.7747      1.00000
     60      -9.7412      1.00000
     61      -9.7225      1.00000
     62      -9.4369      1.00000
     63      -9.3357      1.00000
     64      -9.0893      1.00000
     65      -9.0481      1.00000
     66      -9.0022      1.00000
     67      -8.8913      1.00000
     68      -8.8265      1.00000
     69      -8.7088      1.00000
     70      -8.6679      1.00000
     71      -8.5664      1.00000
     72      -8.5065      1.00000
     73      -8.4713      1.00000
     74      -8.4397      1.00000
     75      -8.3320      1.00000
     76      -8.1987      1.00000
     77      -8.0673      1.00000
     78      -7.9814      1.00000
     79      -7.9061      1.00000
     80      -7.8820      1.00000
     81      -7.6958      1.00000
     82      -7.5616      1.00000
     83      -7.4931      1.00000
     84      -6.9803      1.00000
     85      -6.9115      1.00000
     86      -6.8615      1.00000
     87      -6.7416      1.00000
     88      -6.5193      1.00000
     89      -6.4676      1.00000
     90      -6.3798      1.00000
     91      -6.1925      1.00000
     92      -5.9307      1.00000
     93      -5.7965      1.00000
     94      -5.7511      1.00000
     95      -5.5571      1.00000
     96      -5.3771      1.00000
     97      -5.2443      1.00000
     98      -5.1962      1.00000
     99      -5.1827      1.00000
    100      -5.1237      1.00000
    101      -4.8097      1.00000
    102      -4.5394      1.00000
    103      -4.4573      1.00000
    104      -4.2458      1.00000
    105      -3.5548      1.00000
    106      -3.2908      1.00000
    107      -2.9399      0.00000
    108      -2.3444      0.00000
    109      -1.1845      0.00000
    110      -1.1647      0.00000
    111      -1.1134      0.00000
    112      -1.0609      0.00000
    113      -0.5043      0.00000
    114      -0.4572      0.00000
    115      -0.2968      0.00000
    116      -0.2734      0.00000
    117      -0.0010      0.00000
    118       0.0341      0.00000
    119       0.5318      0.00000
    120       0.6424      0.00000
    121       0.8799      0.00000
    122       0.9761      0.00000
    123       1.1875      0.00000
    124       1.5289      0.00000
    125       1.7547      0.00000
    126       1.7734      0.00000
    127       2.0077      0.00000
    128       2.1067      0.00000
    129       2.1295      0.00000
    130       2.1439      0.00000
    131       2.2579      0.00000
    132       2.3052      0.00000
    133       2.3540      0.00000
    134       2.4587      0.00000
    135       2.6664      0.00000
    136       2.7553      0.00000
    137       2.7955      0.00000
    138       2.8777      0.00000
    139       2.9540      0.00000
    140       2.9922      0.00000
    141       3.0493      0.00000
    142       3.1055      0.00000
    143       3.1610      0.00000
    144       3.2307      0.00000
    145       3.2599      0.00000
    146       3.2933      0.00000
    147       3.3244      0.00000
    148       3.3480      0.00000
    149       3.3902      0.00000
    150       3.5291      0.00000
    151       3.6009      0.00000
    152       3.6631      0.00000
    153       3.6877      0.00000
    154       3.7052      0.00000
    155       3.7255      0.00000
    156       3.7871      0.00000
    157       3.9556      0.00000
    158       4.0529      0.00000
    159       4.1235      0.00000
    160       4.2554      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2604      1.00000
      2     -21.9022      1.00000
      3     -21.8638      1.00000
      4     -21.3396      1.00000
      5     -21.3038      1.00000
      6     -20.7837      1.00000
      7     -20.7452      1.00000
      8     -20.5792      1.00000
      9     -20.0488      1.00000
     10     -20.0132      1.00000
     11     -19.6818      1.00000
     12     -19.6467      1.00000
     13     -18.9695      1.00000
     14     -18.9319      1.00000
     15     -18.6139      1.00000
     16     -18.5768      1.00000
     17     -18.4180      1.00000
     18     -17.6336      1.00000
     19     -17.5872      1.00000
     20     -17.5671      1.00000
     21     -17.5494      1.00000
     22     -17.0994      1.00000
     23     -17.0568      1.00000
     24     -16.9395      1.00000
     25     -15.9827      1.00000
     26     -15.8718      1.00000
     27     -15.5673      1.00000
     28     -15.5294      1.00000
     29     -15.2328      1.00000
     30     -14.8498      1.00000
     31     -14.7929      1.00000
     32     -14.5381      1.00000
     33     -14.5007      1.00000
     34     -14.1306      1.00000
     35     -14.1184      1.00000
     36     -13.1568      1.00000
     37     -13.0499      1.00000
     38     -12.9958      1.00000
     39     -12.9769      1.00000
     40     -12.6994      1.00000
     41     -12.6548      1.00000
     42     -12.2975      1.00000
     43     -12.2818      1.00000
     44     -11.6215      1.00000
     45     -11.5882      1.00000
     46     -11.5277      1.00000
     47     -10.9235      1.00000
     48     -10.8995      1.00000
     49     -10.7129      1.00000
     50     -10.5657      1.00000
     51     -10.5354      1.00000
     52     -10.4690      1.00000
     53     -10.4259      1.00000
     54     -10.3668      1.00000
     55     -10.3145      1.00000
     56     -10.0351      1.00000
     57      -9.8710      1.00000
     58      -9.6012      1.00000
     59      -9.5213      1.00000
     60      -9.4543      1.00000
     61      -9.4086      1.00000
     62      -9.3710      1.00000
     63      -9.3409      1.00000
     64      -9.2975      1.00000
     65      -9.2468      1.00000
     66      -9.1362      1.00000
     67      -9.0905      1.00000
     68      -9.0731      1.00000
     69      -8.8514      1.00000
     70      -8.8359      1.00000
     71      -8.7035      1.00000
     72      -8.5606      1.00000
     73      -8.4384      1.00000
     74      -8.1970      1.00000
     75      -8.1737      1.00000
     76      -8.0384      1.00000
     77      -7.8671      1.00000
     78      -7.8032      1.00000
     79      -7.7693      1.00000
     80      -7.7188      1.00000
     81      -7.6779      1.00000
     82      -7.6426      1.00000
     83      -7.4472      1.00000
     84      -7.3088      1.00000
     85      -6.9185      1.00000
     86      -6.8921      1.00000
     87      -6.7753      1.00000
     88      -6.5581      1.00000
     89      -6.3877      1.00000
     90      -6.3241      1.00000
     91      -6.2784      1.00000
     92      -6.1712      1.00000
     93      -6.0684      1.00000
     94      -5.7832      1.00000
     95      -5.5326      1.00000
     96      -5.3568      1.00000
     97      -5.2053      1.00000
     98      -5.1783      1.00000
     99      -5.0305      1.00000
    100      -4.8140      1.00000
    101      -4.6699      1.00000
    102      -4.4932      1.00000
    103      -4.4312      1.00000
    104      -4.2371      1.00000
    105      -3.6328      1.00000
    106      -3.5462      1.00000
    107      -2.8464      0.00000
    108      -2.1364      0.00000
    109      -1.2474      0.00000
    110      -1.1891      0.00000
    111      -1.1792      0.00000
    112      -0.8846      0.00000
    113      -0.8687      0.00000
    114      -0.7861      0.00000
    115      -0.7539      0.00000
    116       0.1417      0.00000
    117       0.2428      0.00000
    118       0.3161      0.00000
    119       0.7168      0.00000
    120       0.8569      0.00000
    121       0.9364      0.00000
    122       1.1640      0.00000
    123       1.2570      0.00000
    124       1.5182      0.00000
    125       1.5691      0.00000
    126       1.7986      0.00000
    127       1.8821      0.00000
    128       1.8833      0.00000
    129       1.9593      0.00000
    130       2.0447      0.00000
    131       2.2175      0.00000
    132       2.3309      0.00000
    133       2.4192      0.00000
    134       2.4354      0.00000
    135       2.5766      0.00000
    136       2.6063      0.00000
    137       2.6646      0.00000
    138       2.7136      0.00000
    139       2.7477      0.00000
    140       2.8864      0.00000
    141       3.0341      0.00000
    142       3.1320      0.00000
    143       3.1925      0.00000
    144       3.2140      0.00000
    145       3.2361      0.00000
    146       3.2759      0.00000
    147       3.3176      0.00000
    148       3.4400      0.00000
    149       3.5321      0.00000
    150       3.6038      0.00000
    151       3.6938      0.00000
    152       3.7004      0.00000
    153       3.8520      0.00000
    154       3.9010      0.00000
    155       3.9250      0.00000
    156       3.9552      0.00000
    157       4.0026      0.00000
    158       4.0083      0.00000
    159       4.0675      0.00000
    160       4.1391      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3353      1.00000
      2     -21.7748      1.00000
      3     -21.5943      1.00000
      4     -21.5694      1.00000
      5     -21.2249      1.00000
      6     -21.1955      1.00000
      7     -21.0194      1.00000
      8     -20.1202      1.00000
      9     -20.0883      1.00000
     10     -19.5785      1.00000
     11     -19.5442      1.00000
     12     -19.3730      1.00000
     13     -19.0618      1.00000
     14     -19.0214      1.00000
     15     -19.0048      1.00000
     16     -18.9869      1.00000
     17     -18.3347      1.00000
     18     -18.3038      1.00000
     19     -17.9734      1.00000
     20     -17.0238      1.00000
     21     -16.9821      1.00000
     22     -16.9263      1.00000
     23     -16.9006      1.00000
     24     -16.4566      1.00000
     25     -16.4217      1.00000
     26     -15.5782      1.00000
     27     -15.5497      1.00000
     28     -15.2049      1.00000
     29     -15.1826      1.00000
     30     -15.1620      1.00000
     31     -15.0826      1.00000
     32     -15.0288      1.00000
     33     -14.6723      1.00000
     34     -14.6456      1.00000
     35     -13.7056      1.00000
     36     -13.6733      1.00000
     37     -13.2059      1.00000
     38     -12.6392      1.00000
     39     -12.5385      1.00000
     40     -12.4260      1.00000
     41     -12.4036      1.00000
     42     -12.0752      1.00000
     43     -12.0539      1.00000
     44     -11.6812      1.00000
     45     -11.6492      1.00000
     46     -11.2885      1.00000
     47     -11.1865      1.00000
     48     -10.9953      1.00000
     49     -10.9635      1.00000
     50     -10.8911      1.00000
     51     -10.8590      1.00000
     52     -10.5630      1.00000
     53     -10.2062      1.00000
     54     -10.1160      1.00000
     55     -10.0578      1.00000
     56      -9.8902      1.00000
     57      -9.6636      1.00000
     58      -9.6629      1.00000
     59      -9.6271      1.00000
     60      -9.6022      1.00000
     61      -9.5348      1.00000
     62      -9.4753      1.00000
     63      -9.3123      1.00000
     64      -9.2637      1.00000
     65      -9.2258      1.00000
     66      -9.1936      1.00000
     67      -9.0943      1.00000
     68      -9.0904      1.00000
     69      -9.0690      1.00000
     70      -8.9034      1.00000
     71      -8.8429      1.00000
     72      -8.5751      1.00000
     73      -8.5620      1.00000
     74      -8.1697      1.00000
     75      -8.0111      1.00000
     76      -7.9462      1.00000
     77      -7.8863      1.00000
     78      -7.7784      1.00000
     79      -7.7266      1.00000
     80      -7.7124      1.00000
     81      -7.4029      1.00000
     82      -7.2811      1.00000
     83      -7.2446      1.00000
     84      -7.2196      1.00000
     85      -7.1530      1.00000
     86      -6.9721      1.00000
     87      -6.8569      1.00000
     88      -6.6948      1.00000
     89      -6.6629      1.00000
     90      -6.5857      1.00000
     91      -6.1591      1.00000
     92      -6.0853      1.00000
     93      -6.0748      1.00000
     94      -5.9117      1.00000
     95      -5.8824      1.00000
     96      -5.3763      1.00000
     97      -5.1921      1.00000
     98      -4.8735      1.00000
     99      -4.8564      1.00000
    100      -4.6468      1.00000
    101      -4.5238      1.00000
    102      -4.3907      1.00000
    103      -4.2661      1.00000
    104      -4.0648      1.00000
    105      -4.0402      1.00000
    106      -3.5644      1.00000
    107      -2.8678      0.00000
    108      -1.7052      0.00000
    109      -1.6998      0.00000
    110      -1.3087      0.00000
    111      -1.2608      0.00000
    112      -1.2316      0.00000
    113      -1.2288      0.00000
    114      -0.5655      0.00000
    115      -0.2562      0.00000
    116      -0.1163      0.00000
    117       0.5823      0.00000
    118       0.6709      0.00000
    119       0.8070      0.00000
    120       0.9565      0.00000
    121       1.1403      0.00000
    122       1.2055      0.00000
    123       1.2797      0.00000
    124       1.4474      0.00000
    125       1.6156      0.00000
    126       1.6834      0.00000
    127       1.7675      0.00000
    128       1.7753      0.00000
    129       1.9115      0.00000
    130       1.9360      0.00000
    131       2.1806      0.00000
    132       2.1921      0.00000
    133       2.2285      0.00000
    134       2.4703      0.00000
    135       2.4949      0.00000
    136       2.5824      0.00000
    137       2.6336      0.00000
    138       2.7066      0.00000
    139       2.8049      0.00000
    140       2.8185      0.00000
    141       2.8607      0.00000
    142       2.9458      0.00000
    143       2.9729      0.00000
    144       3.0144      0.00000
    145       3.1338      0.00000
    146       3.3418      0.00000
    147       3.3726      0.00000
    148       3.4142      0.00000
    149       3.5789      0.00000
    150       3.6019      0.00000
    151       3.6336      0.00000
    152       3.6652      0.00000
    153       3.7764      0.00000
    154       3.7913      0.00000
    155       3.9957      0.00000
    156       4.0310      0.00000
    157       4.0420      0.00000
    158       4.1133      0.00000
    159       4.2283      0.00000
    160       4.3434      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1194      1.00000
      2     -22.1018      1.00000
      3     -21.9172      1.00000
      4     -21.3601      1.00000
      5     -20.9931      1.00000
      6     -20.9809      1.00000
      7     -20.4417      1.00000
      8     -20.4275      1.00000
      9     -20.2475      1.00000
     10     -20.2458      1.00000
     11     -19.8903      1.00000
     12     -19.8752      1.00000
     13     -18.8244      1.00000
     14     -18.7967      1.00000
     15     -18.2835      1.00000
     16     -18.2780      1.00000
     17     -18.1135      1.00000
     18     -18.1067      1.00000
     19     -17.7655      1.00000
     20     -17.7616      1.00000
     21     -17.2313      1.00000
     22     -17.2028      1.00000
     23     -17.1143      1.00000
     24     -17.1010      1.00000
     25     -16.0911      1.00000
     26     -15.8340      1.00000
     27     -15.8237      1.00000
     28     -15.8073      1.00000
     29     -15.1832      1.00000
     30     -14.5140      1.00000
     31     -14.5004      1.00000
     32     -14.2287      1.00000
     33     -13.9631      1.00000
     34     -13.9243      1.00000
     35     -13.7898      1.00000
     36     -13.7767      1.00000
     37     -13.5603      1.00000
     38     -13.5412      1.00000
     39     -13.3300      1.00000
     40     -12.6102      1.00000
     41     -12.1312      1.00000
     42     -12.1202      1.00000
     43     -12.0099      1.00000
     44     -11.9918      1.00000
     45     -11.6501      1.00000
     46     -11.6346      1.00000
     47     -11.1414      1.00000
     48     -11.1041      1.00000
     49     -10.7643      1.00000
     50     -10.7052      1.00000
     51     -10.4434      1.00000
     52     -10.1722      1.00000
     53     -10.1646      1.00000
     54     -10.1486      1.00000
     55     -10.0027      1.00000
     56      -9.9626      1.00000
     57      -9.9370      1.00000
     58      -9.8136      1.00000
     59      -9.7637      1.00000
     60      -9.7439      1.00000
     61      -9.7287      1.00000
     62      -9.4366      1.00000
     63      -9.3334      1.00000
     64      -9.0772      1.00000
     65      -9.0392      1.00000
     66      -8.9703      1.00000
     67      -8.9407      1.00000
     68      -8.8022      1.00000
     69      -8.6822      1.00000
     70      -8.6658      1.00000
     71      -8.5507      1.00000
     72      -8.5185      1.00000
     73      -8.4445      1.00000
     74      -8.4382      1.00000
     75      -8.3005      1.00000
     76      -8.2316      1.00000
     77      -8.1078      1.00000
     78      -8.0489      1.00000
     79      -8.0246      1.00000
     80      -7.7873      1.00000
     81      -7.6022      1.00000
     82      -7.5933      1.00000
     83      -7.4636      1.00000
     84      -7.0004      1.00000
     85      -6.9460      1.00000
     86      -6.8603      1.00000
     87      -6.5762      1.00000
     88      -6.5440      1.00000
     89      -6.4594      1.00000
     90      -6.4094      1.00000
     91      -6.3308      1.00000
     92      -5.9854      1.00000
     93      -5.7697      1.00000
     94      -5.7279      1.00000
     95      -5.5592      1.00000
     96      -5.3798      1.00000
     97      -5.2045      1.00000
     98      -5.2007      1.00000
     99      -5.1787      1.00000
    100      -5.1568      1.00000
    101      -4.6497      1.00000
    102      -4.5015      1.00000
    103      -4.4420      1.00000
    104      -4.3849      1.00000
    105      -3.5721      1.00000
    106      -3.4317      1.00000
    107      -2.7348      0.00000
    108      -2.4089      0.00000
    109      -1.1666      0.00000
    110      -1.1555      0.00000
    111      -1.1487      0.00000
    112      -1.0539      0.00000
    113      -0.4885      0.00000
    114      -0.4788      0.00000
    115      -0.3247      0.00000
    116      -0.2486      0.00000
    117       0.0061      0.00000
    118       0.0090      0.00000
    119       0.5211      0.00000
    120       0.6624      0.00000
    121       0.8169      0.00000
    122       1.0045      0.00000
    123       1.2403      0.00000
    124       1.4941      0.00000
    125       1.7603      0.00000
    126       1.9532      0.00000
    127       1.9572      0.00000
    128       2.0267      0.00000
    129       2.0837      0.00000
    130       2.1794      0.00000
    131       2.2862      0.00000
    132       2.2923      0.00000
    133       2.3540      0.00000
    134       2.5575      0.00000
    135       2.6353      0.00000
    136       2.6807      0.00000
    137       2.8499      0.00000
    138       2.8894      0.00000
    139       2.9626      0.00000
    140       2.9691      0.00000
    141       3.1240      0.00000
    142       3.1405      0.00000
    143       3.1450      0.00000
    144       3.1809      0.00000
    145       3.2426      0.00000
    146       3.2456      0.00000
    147       3.3344      0.00000
    148       3.3569      0.00000
    149       3.3957      0.00000
    150       3.4099      0.00000
    151       3.5091      0.00000
    152       3.6256      0.00000
    153       3.6834      0.00000
    154       3.6933      0.00000
    155       3.8347      0.00000
    156       3.9079      0.00000
    157       3.9651      0.00000
    158       3.9889      0.00000
    159       4.1108      0.00000
    160       4.1985      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2227      1.00000
      2     -22.0346      1.00000
      3     -21.6701      1.00000
      4     -21.6442      1.00000
      5     -20.9291      1.00000
      6     -20.8986      1.00000
      7     -20.5593      1.00000
      8     -20.5389      1.00000
      9     -20.5285      1.00000
     10     -19.9916      1.00000
     11     -19.4686      1.00000
     12     -19.4357      1.00000
     13     -19.2825      1.00000
     14     -19.2554      1.00000
     15     -18.3998      1.00000
     16     -18.3679      1.00000
     17     -17.8986      1.00000
     18     -17.8664      1.00000
     19     -17.7150      1.00000
     20     -17.6807      1.00000
     21     -17.4136      1.00000
     22     -17.3828      1.00000
     23     -17.2939      1.00000
     24     -16.4562      1.00000
     25     -16.4170      1.00000
     26     -15.9355      1.00000
     27     -15.3815      1.00000
     28     -15.3535      1.00000
     29     -15.0699      1.00000
     30     -15.0402      1.00000
     31     -14.8104      1.00000
     32     -14.7889      1.00000
     33     -14.2852      1.00000
     34     -14.2138      1.00000
     35     -13.4423      1.00000
     36     -13.3597      1.00000
     37     -13.1541      1.00000
     38     -13.1224      1.00000
     39     -12.9607      1.00000
     40     -12.9303      1.00000
     41     -12.5879      1.00000
     42     -12.5607      1.00000
     43     -12.1717      1.00000
     44     -11.5386      1.00000
     45     -11.5027      1.00000
     46     -11.2768      1.00000
     47     -11.2482      1.00000
     48     -11.1288      1.00000
     49     -10.7681      1.00000
     50     -10.6280      1.00000
     51     -10.4505      1.00000
     52     -10.2806      1.00000
     53     -10.2736      1.00000
     54     -10.1671      1.00000
     55     -10.0911      1.00000
     56     -10.0574      1.00000
     57      -9.8057      1.00000
     58      -9.7031      1.00000
     59      -9.6894      1.00000
     60      -9.6824      1.00000
     61      -9.6700      1.00000
     62      -9.6050      1.00000
     63      -9.3430      1.00000
     64      -9.3158      1.00000
     65      -9.2915      1.00000
     66      -8.9690      1.00000
     67      -8.9285      1.00000
     68      -8.8789      1.00000
     69      -8.7478      1.00000
     70      -8.5644      1.00000
     71      -8.4837      1.00000
     72      -8.4004      1.00000
     73      -8.3617      1.00000
     74      -8.2850      1.00000
     75      -8.2391      1.00000
     76      -8.2267      1.00000
     77      -8.2120      1.00000
     78      -8.1968      1.00000
     79      -7.9939      1.00000
     80      -7.7797      1.00000
     81      -7.4123      1.00000
     82      -7.3161      1.00000
     83      -7.2369      1.00000
     84      -7.1401      1.00000
     85      -7.0960      1.00000
     86      -6.9568      1.00000
     87      -6.9095      1.00000
     88      -6.5891      1.00000
     89      -6.5541      1.00000
     90      -6.4340      1.00000
     91      -6.2517      1.00000
     92      -5.9034      1.00000
     93      -5.8228      1.00000
     94      -5.6753      1.00000
     95      -5.5843      1.00000
     96      -5.2948      1.00000
     97      -5.2600      1.00000
     98      -5.1852      1.00000
     99      -5.1843      1.00000
    100      -5.1608      1.00000
    101      -4.5222      1.00000
    102      -4.4555      1.00000
    103      -4.3978      1.00000
    104      -4.0768      1.00000
    105      -3.9286      1.00000
    106      -3.5177      1.00000
    107      -2.8173      0.00000
    108      -1.8057      0.00000
    109      -1.7938      0.00000
    110      -1.0763      0.00000
    111      -1.0119      0.00000
    112      -0.9282      0.00000
    113      -0.6564      0.00000
    114      -0.6055      0.00000
    115      -0.5694      0.00000
    116      -0.5298      0.00000
    117       0.1598      0.00000
    118       0.2634      0.00000
    119       0.7072      0.00000
    120       0.9732      0.00000
    121       1.0929      0.00000
    122       1.2550      0.00000
    123       1.4207      0.00000
    124       1.5318      0.00000
    125       1.5983      0.00000
    126       1.6216      0.00000
    127       1.6474      0.00000
    128       1.8414      0.00000
    129       1.9323      0.00000
    130       2.1075      0.00000
    131       2.1997      0.00000
    132       2.3357      0.00000
    133       2.3729      0.00000
    134       2.4693      0.00000
    135       2.6001      0.00000
    136       2.6598      0.00000
    137       2.7283      0.00000
    138       2.7402      0.00000
    139       2.8444      0.00000
    140       2.9500      0.00000
    141       3.0465      0.00000
    142       3.0699      0.00000
    143       3.1888      0.00000
    144       3.2833      0.00000
    145       3.3318      0.00000
    146       3.3369      0.00000
    147       3.4645      0.00000
    148       3.5261      0.00000
    149       3.5612      0.00000
    150       3.6003      0.00000
    151       3.6143      0.00000
    152       3.6877      0.00000
    153       3.7300      0.00000
    154       3.7640      0.00000
    155       3.7707      0.00000
    156       3.8437      0.00000
    157       3.9237      0.00000
    158       4.0003      0.00000
    159       4.0289      0.00000
    160       4.2728      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0448   -6.8619    2.8579   -0.4769   -0.0178   17.1396    0.0965   -0.0740    0.1199   -0.2128
x    -3.1505   -0.0332   -0.0583    0.0255    0.0327   -3.0236    0.0209   -0.0019   -0.0001    0.0000
x    -0.0930   -0.0010    0.0019   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    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   -0.0034    0.0000    0.0010    0.0005    0.0034   -0.0987   -0.0407    0.0688    0.0117
y     0.0421   -3.2491   -0.0991    0.2013   -2.4459   -0.6653
z   204.0448    1.9911    0.0141   -0.0665    0.0187    0.0778   -0.0027   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0615    0.0082    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8232
z    -0.5087    0.0404    0.0742    0.1438   -0.0981   -0.0018
 total charge-density along one line
x   212.0000   -9.6891    4.7925   -1.2799   -0.2532   19.0799   -1.1267    1.0525   -0.6835    0.2213
x    -2.7486   -0.0175   -0.0409    0.0179    0.0337   -2.3070    0.0201    0.0018   -0.0030   -0.0008
x    -0.0820    0.0013   -0.0021    0.0004    0.0009   -0.0371    0.0003    0.0004   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6891    4.7925   -1.2799   -0.2532   19.0799   -1.1267    1.0525   -0.6835    0.2213
y    -2.7486   -0.0175   -0.0409    0.0179    0.0337   -2.3070    0.0201    0.0018   -0.0030   -0.0008
y    -0.0820    0.0013   -0.0021    0.0004    0.0009   -0.0371    0.0003    0.0004   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6775  189.4282 -169.4370  151.1883 -136.5242  123.8092 -110.3361   94.7317  -77.7635
z    61.4915  -47.7966   37.3974  -29.8118   23.9939  -19.0546   14.6186  -10.7446    7.6227   -5.3207
z     3.7167   -2.5879    1.7355   -1.0523    0.5108   -0.1139   -0.1450    0.2914   -0.3584    0.3750
z    -0.3625    0.3372   -0.3112    0.2904   -0.2726    0.2507   -0.2191    0.1788   -0.1370    0.1024
z    -0.0796    0.0672   -0.0596    0.0518   -0.0422    0.0320   -0.0237    0.0185   -0.0157    0.0142
z    -0.0126    0.0108   -0.0088    0.0069   -0.0052    0.0039   -0.0029    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.701   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.195   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.267   0.000   0.297   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.069   0.037   0.000  -0.053   0.000   0.000
  0.279   0.000  -0.267   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.109   0.321  -0.102   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.297   0.000   0.182  -0.122   0.000   0.428   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.170   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.195   0.000   0.158   0.000   0.063  -0.109   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.069   0.321   0.000   0.148   0.000  -0.178   1.140  -0.353   0.000  -0.139   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.102   0.000  -0.138   0.000   0.061  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.174  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.139   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.174   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.007   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.783
  2        0.542   0.016   0.000   0.557
  3        0.542   0.016   0.000   0.557
  4        0.864   1.780   0.000   2.644
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.784   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.776   0.000   2.640
 17        0.849   1.733   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.768   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.863   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.768   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.784   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.733   0.000   2.581
 42        0.865   1.776   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.644
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.792  89.408   7.854 142.054
 


 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  112.23: CPU time   56.87
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  439.90: CPU time  220.79
    STRESS:  VPU time 1320.81: CPU time  665.74
    FORCOR:  VPU time    8.70: CPU time    8.70
    FORHAR:  VPU time    2.27: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.3356206E-05[-0.505E-05,-0.166E-05]  d Energy = 0.7042614E-05-0.104E-04
 d Force =-0.2499259E-03[-0.254E-03,-0.246E-03]  d Ewald  = 0.3702456E-01-0.373E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648573 eV

  energy  without entropy=     -469.648573  energy(sigma->0) =     -469.648573
 

  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    40937.65  40984.06 -47644.07     40.19      0.00      0.00
  Hartree  40396.25  40421.12 -39644.81     21.55      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.31      0.00      0.00
  Local   -83624.82 -83693.39  84601.52    -59.38      0.00      0.00
  n-local   -214.77   -206.81   -206.59      6.00      0.00      0.00
  augment     21.82     19.28     20.59     -2.20      0.00      0.00
  Kinetic   3165.74   3163.40   3585.98     -8.46      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.29     -0.48     -0.42     -0.16      0.00      0.00
  in kB       -0.18     -0.29     -0.26     -0.10      0.00      0.00
  external pressure =       -0.24 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.341207573 -0.000324718  0.000000000     0.081030579  0.046785938  0.000000000
    -6.170891640 10.687632743  0.000000000     0.000002462  0.093567511  0.000000000
     0.000000000  0.000000000 20.001031159     0.000000000  0.000000000  0.049997422

  length of vectors
    12.341207578 12.341207286 20.001031159     0.093567509  0.093567511  0.049997422


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.791E-05 -.315E-04 -.110E+04   0.446E-05 -.262E-04 0.110E+04   0.847E-21 -.169E-20 0.368E+01   -.370E-07 0.202E-07 0.873E-04
   -.267E+02 -.463E+02 -.108E+03   0.279E+02 0.482E+02 0.108E+03   -.111E+01 -.192E+01 -.198E+00   0.328E-03 0.566E-03 0.535E-04
   0.267E+02 0.463E+02 -.108E+03   -.279E+02 -.482E+02 0.108E+03   0.111E+01 0.192E+01 -.198E+00   -.328E-03 -.566E-03 0.535E-04
   -.205E+01 0.118E+01 0.308E+02   0.200E+01 -.115E+01 -.308E+02   0.532E-01 -.307E-01 0.548E-02   0.483E-03 -.281E-03 -.162E-03
   0.661E+01 0.656E+01 0.343E+02   -.657E+01 -.655E+01 -.343E+02   -.302E-01 -.139E-01 -.421E-01   0.508E-03 -.971E-03 -.179E-03
   0.118E+02 0.585E+01 0.251E+02   -.117E+02 -.587E+01 -.250E+02   -.510E-01 0.181E-01 -.117E+00   0.609E-03 0.155E-04 -.248E-03
   0.431E+01 -.110E+01 0.210E+02   -.430E+01 0.110E+01 -.210E+02   0.307E-02 -.798E-02 0.183E-01   0.920E-03 -.325E-03 -.282E-03
   -.283E+01 -.259E+01 0.220E+02   0.284E+01 0.257E+01 -.220E+02   -.516E-03 0.145E-01 0.187E-01   0.478E-03 -.532E-03 -.188E-03
   0.826E+00 0.375E+01 0.220E+02   -.805E+00 -.374E+01 -.220E+02   -.128E-01 -.681E-02 0.187E-01   0.695E-03 -.153E-03 -.194E-03
   0.292E+01 0.187E+02 0.368E+02   -.294E+01 -.187E+02 -.368E+02   0.357E-01 -.263E-01 -.241E-01   0.817E-03 -.387E-03 -.241E-03
   0.205E+02 0.223E+02 0.461E+02   -.205E+02 -.224E+02 -.458E+02   0.584E-02 0.114E+00 -.326E+00   -.734E-04 -.941E-03 -.580E-03
   0.274E+02 -.584E+01 0.228E+02   -.275E+02 0.590E+01 -.228E+02   0.924E-01 -.606E-01 0.373E-02   -.153E-03 -.841E-03 -.482E-03
   0.973E+01 -.562E+01 0.157E+02   -.967E+01 0.558E+01 -.158E+02   -.535E-01 0.309E-01 0.491E-01   0.636E-03 -.373E-03 -.263E-03
   0.310E+01 -.318E+01 0.210E+02   -.310E+01 0.318E+01 -.210E+02   0.845E-02 0.133E-02 0.183E-01   0.740E-03 -.638E-03 -.294E-03
   -.693E+01 0.128E+02 0.240E+02   0.692E+01 -.128E+02 -.240E+02   0.270E-01 -.296E-02 0.177E-01   0.446E-03 -.441E-03 -.356E-03
   -.135E+02 0.311E+02 0.322E+02   0.134E+02 -.315E+02 -.325E+02   0.113E+00 0.431E+00 0.284E+00   0.104E-02 -.164E-02 -.980E-03
   0.342E+02 -.197E+02 0.941E+01   -.353E+02 0.204E+02 -.117E+02   0.114E+01 -.658E+00 0.232E+01   -.433E-03 0.247E-03 -.137E-02
   0.188E+02 -.208E+02 0.228E+02   -.189E+02 0.209E+02 -.228E+02   0.986E-01 -.497E-01 0.373E-02   0.650E-03 0.546E-03 -.489E-03
   0.814E+00 -.131E+02 0.251E+02   -.766E+00 0.131E+02 -.250E+02   -.412E-01 0.351E-01 -.117E+00   0.294E-03 -.537E-03 -.256E-03
   -.402E+01 0.992E+00 0.173E+02   0.403E+01 -.101E+01 -.173E+02   -.225E-02 0.181E-01 -.854E-01   0.469E-03 -.270E-03 -.256E-03
   -.182E+02 0.105E+02 0.128E+02   0.182E+02 -.105E+02 -.126E+02   0.752E-02 -.434E-02 -.249E+00   0.131E-02 -.754E-03 -.471E-03
   -.336E+02 -.389E+01 0.322E+02   0.340E+02 0.420E+01 -.325E+02   -.317E+00 -.313E+00 0.284E+00   0.194E-02 -.753E-04 -.975E-03
   -.909E+01 -.289E+02 0.461E+02   0.919E+01 0.289E+02 -.458E+02   -.959E-01 -.621E-01 -.326E+00   0.781E-03 0.530E-03 -.583E-03
   -.237E+01 -.900E+01 0.343E+02   0.238E+01 0.897E+01 -.343E+02   -.303E-02 0.331E-01 -.421E-01   0.110E-02 0.433E-04 -.180E-03
   0.120E+01 -.693E+00 0.239E+02   -.118E+01 0.681E+00 -.238E+02   -.130E-01 0.748E-02 -.608E-01   0.107E-02 -.615E-03 -.213E-03
   -.287E+01 0.298E+01 0.173E+02   0.289E+01 -.298E+01 -.173E+02   -.168E-01 -.710E-02 -.854E-01   0.469E-03 -.267E-03 -.249E-03
   -.146E+02 -.399E+00 0.240E+02   0.145E+02 0.413E+00 -.240E+02   0.161E-01 -.219E-01 0.177E-01   0.607E-03 -.167E-03 -.344E-03
   -.147E+02 -.119E+02 0.368E+02   0.147E+02 0.119E+02 -.368E+02   0.407E-01 -.178E-01 -.241E-01   0.745E-03 -.519E-03 -.237E-03
   0.237E+01 0.900E+01 0.343E+02   -.238E+01 -.897E+01 -.343E+02   0.303E-02 -.331E-01 -.421E-01   -.110E-02 -.433E-04 -.180E-03
   0.147E+02 0.119E+02 0.368E+02   -.147E+02 -.119E+02 -.368E+02   -.407E-01 0.178E-01 -.241E-01   -.745E-03 0.519E-03 -.237E-03
   0.146E+02 0.399E+00 0.240E+02   -.145E+02 -.413E+00 -.240E+02   -.161E-01 0.219E-01 0.177E-01   -.607E-03 0.167E-03 -.344E-03
   0.287E+01 -.298E+01 0.173E+02   -.289E+01 0.298E+01 -.173E+02   0.168E-01 0.710E-02 -.854E-01   -.469E-03 0.267E-03 -.249E-03
   -.120E+01 0.693E+00 0.239E+02   0.118E+01 -.681E+00 -.238E+02   0.130E-01 -.748E-02 -.608E-01   -.107E-02 0.615E-03 -.213E-03
   -.814E+00 0.131E+02 0.251E+02   0.766E+00 -.131E+02 -.250E+02   0.412E-01 -.351E-01 -.117E+00   -.294E-03 0.537E-03 -.256E-03
   0.909E+01 0.289E+02 0.461E+02   -.919E+01 -.289E+02 -.458E+02   0.959E-01 0.621E-01 -.326E+00   -.781E-03 -.530E-03 -.583E-03
   0.336E+02 0.389E+01 0.322E+02   -.340E+02 -.420E+01 -.325E+02   0.317E+00 0.313E+00 0.284E+00   -.194E-02 0.753E-04 -.975E-03
   0.182E+02 -.105E+02 0.128E+02   -.182E+02 0.105E+02 -.126E+02   -.752E-02 0.434E-02 -.249E+00   -.131E-02 0.754E-03 -.471E-03
   0.402E+01 -.992E+00 0.173E+02   -.403E+01 0.101E+01 -.173E+02   0.225E-02 -.181E-01 -.854E-01   -.469E-03 0.270E-03 -.256E-03
   -.310E+01 0.318E+01 0.210E+02   0.310E+01 -.318E+01 -.210E+02   -.845E-02 -.133E-02 0.183E-01   -.740E-03 0.638E-03 -.294E-03
   -.188E+02 0.208E+02 0.228E+02   0.189E+02 -.209E+02 -.228E+02   -.986E-01 0.497E-01 0.373E-02   -.650E-03 -.546E-03 -.489E-03
   -.342E+02 0.197E+02 0.941E+01   0.353E+02 -.204E+02 -.117E+02   -.114E+01 0.658E+00 0.232E+01   0.433E-03 -.247E-03 -.137E-02
   0.135E+02 -.311E+02 0.322E+02   -.134E+02 0.315E+02 -.325E+02   -.113E+00 -.431E+00 0.284E+00   -.104E-02 0.164E-02 -.980E-03
   0.693E+01 -.128E+02 0.240E+02   -.692E+01 0.128E+02 -.240E+02   -.270E-01 0.296E-02 0.177E-01   -.446E-03 0.441E-03 -.356E-03
   -.826E+00 -.375E+01 0.220E+02   0.805E+00 0.374E+01 -.220E+02   0.128E-01 0.681E-02 0.187E-01   -.695E-03 0.153E-03 -.194E-03
   -.973E+01 0.562E+01 0.157E+02   0.967E+01 -.558E+01 -.158E+02   0.535E-01 -.309E-01 0.491E-01   -.636E-03 0.373E-03 -.263E-03
   -.274E+02 0.584E+01 0.228E+02   0.275E+02 -.590E+01 -.228E+02   -.924E-01 0.606E-01 0.373E-02   0.153E-03 0.841E-03 -.482E-03
   -.205E+02 -.223E+02 0.461E+02   0.205E+02 0.224E+02 -.458E+02   -.584E-02 -.114E+00 -.326E+00   0.734E-04 0.941E-03 -.580E-03
   -.292E+01 -.187E+02 0.368E+02   0.294E+01 0.187E+02 -.368E+02   -.357E-01 0.263E-01 -.241E-01   -.817E-03 0.387E-03 -.241E-03
   0.205E+01 -.118E+01 0.308E+02   -.200E+01 0.115E+01 -.308E+02   -.532E-01 0.307E-01 0.548E-02   -.483E-03 0.281E-03 -.162E-03
   0.283E+01 0.259E+01 0.220E+02   -.284E+01 -.257E+01 -.220E+02   0.516E-03 -.145E-01 0.187E-01   -.478E-03 0.532E-03 -.188E-03
   -.431E+01 0.110E+01 0.210E+02   0.430E+01 -.110E+01 -.210E+02   -.307E-02 0.798E-02 0.183E-01   -.920E-03 0.325E-03 -.282E-03
   -.118E+02 -.585E+01 0.251E+02   0.117E+02 0.587E+01 -.250E+02   0.510E-01 -.181E-01 -.117E+00   -.609E-03 -.154E-04 -.248E-03
   -.661E+01 -.656E+01 0.343E+02   0.657E+01 0.655E+01 -.343E+02   0.302E-01 0.139E-01 -.421E-01   -.508E-03 0.971E-03 -.179E-03
 -----------------------------------------------------------------------------------------------
   -.185E-02 0.343E-03 -.636E+01   -.224E-12 0.000E+00 -.924E-13   0.118E-15 -.173E-15 0.641E+01   -.435E-07 0.237E-07 -.200E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85102      6.05618     12.41254         0.000000      0.000000     -0.000281
      2.67857      7.48954     12.52566        -0.001484     -0.002570     -0.015479
      1.02347      4.62283     12.52566         0.001484      0.002570     -0.015479
     12.34073     -0.00005      9.88031         0.004922     -0.002842     -0.000033
     -1.23314      2.13852      9.88562         0.006950     -0.004594      0.000261
     -2.46873      4.27608      9.93421         0.007571     -0.003836     -0.000177
      8.63805      6.41220      9.94351         0.008653     -0.006608      0.001112
     -4.93516      8.54971      9.92007         0.007502     -0.006614     -0.002827
     -3.70153     10.68642      9.92007         0.009479     -0.003190     -0.002827
      1.23528      2.14053      9.92589         0.007584     -0.006901     -0.001628
     -0.00340      4.27885     10.00863         0.005563     -0.004870      0.003569
     -1.23802      6.41047     10.03631         0.003094     -0.003554     -0.001437
     -2.46566      8.54842      9.96854         0.009181     -0.005301      0.000986
      4.93622      0.00043      9.94351         0.010049     -0.004190      0.001112
      3.70224      2.13418      9.96250         0.010584     -0.001726     -0.001382
      2.47203      4.25423     10.12933         0.012642     -0.013751      0.013311
      1.21453      6.42366     10.35724         0.000745     -0.000430      0.004984
     -0.00032      8.55422     10.03631         0.004625     -0.000902     -0.001437
      1.23275     10.68725      9.93421         0.007108     -0.004639     -0.000177
      6.17016      2.13665      9.94452         0.006728     -0.001934     -0.004871
      4.93888      4.27341     10.02899         0.007583     -0.004378     -0.003403
      3.72206      6.41935     10.12933         0.018230     -0.004073      0.013311
      2.46302      8.55082     10.00863         0.006999     -0.002383      0.003569
      3.70174     10.68598      9.88562         0.007454     -0.003722      0.000261
      8.63817      2.13763      9.90268         0.009031     -0.005214      0.001222
      7.40500      4.27547      9.94452         0.005039     -0.004860     -0.004871
      6.17318      6.41399      9.96250         0.006786     -0.008303     -0.001382
      4.93420      8.54726      9.92589         0.009768     -0.003117     -0.001628
      0.00030      1.42639      9.88562        -0.007454      0.003722      0.000261
     -1.23217      3.56511      9.92589        -0.009768      0.003117     -0.001628
     -2.47115      5.69838      9.96250        -0.006786      0.008303     -0.001382
     -3.70297      7.83690      9.94452        -0.005039      0.004860     -0.004871
     -4.93613      9.97474      9.90268        -0.009031      0.005214      0.001222
      2.46928      1.42512      9.93421        -0.007108      0.004639     -0.000177
      1.23901      3.56155     10.00863        -0.006999      0.002383      0.003569
     -0.02002      5.69302     10.12933        -0.018230      0.004073      0.013311
     -1.23685      7.83896     10.02899        -0.007583      0.004378     -0.003403
     -2.46812      9.97572      9.94452        -0.006728      0.001934     -0.004871
      4.93670      1.42430      9.94351        -0.010049      0.004190      0.001112
      3.70236      3.55815     10.03631        -0.004625      0.000902     -0.001437
      2.48751      5.68871     10.35724        -0.000745      0.000430      0.004984
      1.23001      7.85814     10.12933        -0.012642      0.013751      0.013311
     -0.00020      9.97819      9.96250        -0.010584      0.001726     -0.001382
      7.40356      1.42595      9.92007        -0.009479      0.003190     -0.002827
      6.16770      3.56395      9.96854        -0.009181      0.005301      0.000986
      4.94005      5.70190     10.03631        -0.003094      0.003554     -0.001437
      3.70544      7.83352     10.00863        -0.005563      0.004870      0.003569
      2.46676      9.97184      9.92589        -0.007584      0.006901     -0.001628
      9.87340      1.42446      9.88031        -0.004922      0.002842     -0.000033
      8.63719      3.56266      9.92007        -0.007502      0.006614     -0.002827
      7.40519      5.69985      9.94351        -0.008653      0.006608      0.001112
      6.17077      7.83629      9.93421        -0.007571      0.003836     -0.000177
      4.93517      9.97385      9.88562        -0.006950      0.004594      0.000261
 -----------------------------------------------------------------------------------
    total drift:                               -0.001846      0.000343      0.021744


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




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


    WAVPRE:  VPU time    1.96: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  183.08: CPU time   91.73
     LOOP+:  VPU time 5003.35: CPU time 2578.27


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


    POTLOK:  VPU time    9.20: CPU time    9.08
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1371.29: CPU time  707.28
 BZINTS: Fermi energy: -3.255501;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.48: CPU time   45.54
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1471.50: CPU time  762.40

 eigenvalue-minimisations  :  4112
 total energy-change (2. order) :-0.4696486E+03  (-0.1187805E-05)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9552347 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.11583E-03    rms(broyden)= 0.11581E-03
  rms(prec ) = 0.13168E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34277.68377686
  -1/2 Hartree   DENC   =    -41172.49867527
  -V(xc)+E(xc)   XCENC  =       726.33886119
  PAW double counting   =      4067.94398651    -4106.59567264
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.96070585
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64857560 eV

  energy without entropy =     -469.64857560  energy(sigma->0) =     -469.64857560


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




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


    POTLOK:  VPU time    7.75: CPU time    7.75
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1146.65: CPU time  585.89
 BZINTS: Fermi energy: -3.255231;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1154.74: CPU time  593.95

 eigenvalue-minimisations  :  4224
 total energy-change (2. order) :-0.1692650E-05  (-0.1131275E-06)
 number of electron  212.0000053 magnetization    0.0000000
 augmentation part     7.9552347 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34277.68377686
  -1/2 Hartree   DENC   =    -41172.50761459
  -V(xc)+E(xc)   XCENC  =       726.33890927
  PAW double counting   =      4067.94164241    -4106.59329004
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.95185480
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64857730 eV

  energy without entropy =     -469.64857730  energy(sigma->0) =     -469.64857730


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




 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 -59.0092       2 -37.4822       3 -37.4822       4 -58.3187       5 -58.2931
       6 -58.3057       7 -58.3035       8 -58.3122       9 -58.3122      10 -58.2865
      11 -58.3240      12 -58.2810      13 -58.3237      14 -58.3035      15 -58.3019
      16 -58.3974      17 -58.9693      18 -58.2811      19 -58.3057      20 -58.3078
      21 -58.2941      22 -58.3975      23 -58.3240      24 -58.2931      25 -58.3289
      26 -58.3078      27 -58.3019      28 -58.2865      29 -58.2930      30 -58.2864
      31 -58.3018      32 -58.3078      33 -58.3288      34 -58.3056      35 -58.3239
      36 -58.3974      37 -58.2940      38 -58.3077      39 -58.3034      40 -58.2809
      41 -58.9693      42 -58.3974      43 -58.3018      44 -58.3121      45 -58.3235
      46 -58.2809      47 -58.3239      48 -58.2864      49 -58.3186      50 -58.3121
      51 -58.3034      52 -58.3056      53 -58.2930
 
 
 
 E-fermi :  -3.2552     XC(G=0):  -2.3573     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3729      1.00000
      2     -21.5058      1.00000
      3     -21.4307      1.00000
      4     -21.4304      1.00000
      5     -21.4189      1.00000
      6     -21.4086      1.00000
      7     -21.4044      1.00000
      8     -19.6670      1.00000
      9     -19.5973      1.00000
     10     -19.5923      1.00000
     11     -19.5806      1.00000
     12     -19.5686      1.00000
     13     -19.5655      1.00000
     14     -18.7661      1.00000
     15     -18.7034      1.00000
     16     -18.6964      1.00000
     17     -18.6832      1.00000
     18     -18.6753      1.00000
     19     -18.6700      1.00000
     20     -16.6325      1.00000
     21     -16.5499      1.00000
     22     -16.5440      1.00000
     23     -16.5355      1.00000
     24     -16.5261      1.00000
     25     -16.5220      1.00000
     26     -15.6075      1.00000
     27     -15.5662      1.00000
     28     -15.5237      1.00000
     29     -15.5220      1.00000
     30     -15.5198      1.00000
     31     -15.5162      1.00000
     32     -14.2562      1.00000
     33     -14.2211      1.00000
     34     -14.1951      1.00000
     35     -14.1944      1.00000
     36     -14.1767      1.00000
     37     -14.1712      1.00000
     38     -11.9851      1.00000
     39     -11.8726      1.00000
     40     -11.8246      1.00000
     41     -11.8097      1.00000
     42     -11.8085      1.00000
     43     -11.8025      1.00000
     44     -11.7292      1.00000
     45     -11.7238      1.00000
     46     -11.7055      1.00000
     47     -11.6971      1.00000
     48     -11.6907      1.00000
     49     -11.6823      1.00000
     50     -10.6444      1.00000
     51     -10.3750      1.00000
     52     -10.3581      1.00000
     53     -10.3366      1.00000
     54     -10.3285      1.00000
     55     -10.3208      1.00000
     56     -10.2965      1.00000
     57      -9.7924      1.00000
     58      -9.4113      1.00000
     59      -9.3914      1.00000
     60      -9.3531      1.00000
     61      -9.3427      1.00000
     62      -9.3331      1.00000
     63      -9.1752      1.00000
     64      -9.0801      1.00000
     65      -9.0768      1.00000
     66      -9.0633      1.00000
     67      -9.0592      1.00000
     68      -9.0323      1.00000
     69      -9.0295      1.00000
     70      -9.0261      1.00000
     71      -9.0133      1.00000
     72      -9.0038      1.00000
     73      -8.9944      1.00000
     74      -8.9742      1.00000
     75      -7.9868      1.00000
     76      -7.7012      1.00000
     77      -7.5077      1.00000
     78      -7.4852      1.00000
     79      -7.4621      1.00000
     80      -7.4115      1.00000
     81      -7.3961      1.00000
     82      -7.3777      1.00000
     83      -7.3466      1.00000
     84      -7.2245      1.00000
     85      -7.1824      1.00000
     86      -7.1776      1.00000
     87      -7.1744      1.00000
     88      -6.6142      1.00000
     89      -6.5776      1.00000
     90      -6.3663      1.00000
     91      -6.3571      1.00000
     92      -6.3178      1.00000
     93      -6.2937      1.00000
     94      -5.9416      1.00000
     95      -5.8958      1.00000
     96      -5.3605      1.00000
     97      -5.1938      1.00000
     98      -4.8401      1.00000
     99      -4.7157      1.00000
    100      -4.3635      1.00000
    101      -4.3575      1.00000
    102      -4.3465      1.00000
    103      -4.3353      1.00000
    104      -4.1690      1.00000
    105      -3.9334      1.00000
    106      -3.5927      1.00000
    107      -2.9231      0.00000
    108      -1.5529      0.00000
    109      -1.5507      0.00000
    110      -1.5376      0.00000
    111      -1.5375      0.00000
    112      -1.4797      0.00000
    113      -1.4647      0.00000
    114       0.0754      0.00000
    115       0.2364      0.00000
    116       0.2821      0.00000
    117       0.3014      0.00000
    118       0.3055      0.00000
    119       0.3723      0.00000
    120       0.6108      0.00000
    121       1.2662      0.00000
    122       1.3617      0.00000
    123       1.6954      0.00000
    124       1.7545      0.00000
    125       1.7798      0.00000
    126       1.7847      0.00000
    127       1.8481      0.00000
    128       1.8726      0.00000
    129       1.9992      0.00000
    130       2.0045      0.00000
    131       2.0159      0.00000
    132       2.0212      0.00000
    133       2.0231      0.00000
    134       2.0826      0.00000
    135       2.3104      0.00000
    136       2.4590      0.00000
    137       2.5748      0.00000
    138       2.5883      0.00000
    139       2.6217      0.00000
    140       2.7359      0.00000
    141       2.8345      0.00000
    142       3.0271      0.00000
    143       3.0350      0.00000
    144       3.0518      0.00000
    145       3.0667      0.00000
    146       3.0892      0.00000
    147       3.1064      0.00000
    148       3.4415      0.00000
    149       3.5381      0.00000
    150       3.5822      0.00000
    151       3.8985      0.00000
    152       3.9065      0.00000
    153       3.9447      0.00000
    154       3.9506      0.00000
    155       3.9796      0.00000
    156       4.0480      0.00000
    157       4.1584      0.00000
    158       4.2062      0.00000
    159       4.2532      0.00000
    160       4.2579      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3354      1.00000
      2     -21.7730      1.00000
      3     -21.5985      1.00000
      4     -21.5674      1.00000
      5     -21.2234      1.00000
      6     -21.1946      1.00000
      7     -21.0214      1.00000
      8     -20.1209      1.00000
      9     -20.0877      1.00000
     10     -19.5725      1.00000
     11     -19.5453      1.00000
     12     -19.3793      1.00000
     13     -19.0513      1.00000
     14     -19.0193      1.00000
     15     -19.0062      1.00000
     16     -18.9948      1.00000
     17     -18.3288      1.00000
     18     -18.3043      1.00000
     19     -17.9827      1.00000
     20     -17.0371      1.00000
     21     -16.9848      1.00000
     22     -16.9192      1.00000
     23     -16.8978      1.00000
     24     -16.4375      1.00000
     25     -16.4146      1.00000
     26     -15.5896      1.00000
     27     -15.5581      1.00000
     28     -15.2358      1.00000
     29     -15.1967      1.00000
     30     -15.1335      1.00000
     31     -15.0596      1.00000
     32     -15.0297      1.00000
     33     -14.6689      1.00000
     34     -14.6510      1.00000
     35     -13.7061      1.00000
     36     -13.6806      1.00000
     37     -13.2035      1.00000
     38     -12.5995      1.00000
     39     -12.5416      1.00000
     40     -12.4199      1.00000
     41     -12.4054      1.00000
     42     -12.1108      1.00000
     43     -12.0686      1.00000
     44     -11.6957      1.00000
     45     -11.6466      1.00000
     46     -11.2335      1.00000
     47     -11.1910      1.00000
     48     -11.0084      1.00000
     49     -10.9734      1.00000
     50     -10.9093      1.00000
     51     -10.8661      1.00000
     52     -10.5306      1.00000
     53     -10.1289      1.00000
     54     -10.1242      1.00000
     55     -10.0820      1.00000
     56      -9.9200      1.00000
     57      -9.7071      1.00000
     58      -9.6721      1.00000
     59      -9.6119      1.00000
     60      -9.5836      1.00000
     61      -9.5415      1.00000
     62      -9.4805      1.00000
     63      -9.2987      1.00000
     64      -9.2767      1.00000
     65      -9.2285      1.00000
     66      -9.1753      1.00000
     67      -9.1116      1.00000
     68      -9.0773      1.00000
     69      -9.0649      1.00000
     70      -8.9055      1.00000
     71      -8.8448      1.00000
     72      -8.6013      1.00000
     73      -8.5666      1.00000
     74      -8.1235      1.00000
     75      -8.0458      1.00000
     76      -7.9498      1.00000
     77      -7.8298      1.00000
     78      -7.7917      1.00000
     79      -7.7316      1.00000
     80      -7.6924      1.00000
     81      -7.3496      1.00000
     82      -7.3340      1.00000
     83      -7.3279      1.00000
     84      -7.2707      1.00000
     85      -7.0662      1.00000
     86      -6.9808      1.00000
     87      -6.8256      1.00000
     88      -6.7505      1.00000
     89      -6.6432      1.00000
     90      -6.5647      1.00000
     91      -6.1381      1.00000
     92      -6.1070      1.00000
     93      -6.0918      1.00000
     94      -5.9665      1.00000
     95      -5.7355      1.00000
     96      -5.3967      1.00000
     97      -5.2085      1.00000
     98      -4.9404      1.00000
     99      -4.7994      1.00000
    100      -4.6383      1.00000
    101      -4.5376      1.00000
    102      -4.4855      1.00000
    103      -4.3644      1.00000
    104      -4.0454      1.00000
    105      -3.8148      1.00000
    106      -3.5699      1.00000
    107      -2.9453      0.00000
    108      -1.7193      0.00000
    109      -1.6762      0.00000
    110      -1.2942      0.00000
    111      -1.2718      0.00000
    112      -1.2462      0.00000
    113      -1.2146      0.00000
    114      -0.5618      0.00000
    115      -0.1901      0.00000
    116      -0.1716      0.00000
    117       0.6277      0.00000
    118       0.6747      0.00000
    119       0.7265      0.00000
    120       0.9846      0.00000
    121       1.1160      0.00000
    122       1.2393      0.00000
    123       1.3376      0.00000
    124       1.4408      0.00000
    125       1.4938      0.00000
    126       1.7369      0.00000
    127       1.7595      0.00000
    128       1.7978      0.00000
    129       1.8539      0.00000
    130       1.9493      0.00000
    131       2.1664      0.00000
    132       2.2072      0.00000
    133       2.2524      0.00000
    134       2.4271      0.00000
    135       2.5056      0.00000
    136       2.6029      0.00000
    137       2.6856      0.00000
    138       2.6938      0.00000
    139       2.7721      0.00000
    140       2.7945      0.00000
    141       2.8495      0.00000
    142       2.8553      0.00000
    143       2.9888      0.00000
    144       3.0523      0.00000
    145       3.2628      0.00000
    146       3.3511      0.00000
    147       3.3630      0.00000
    148       3.4417      0.00000
    149       3.5173      0.00000
    150       3.5682      0.00000
    151       3.6468      0.00000
    152       3.7198      0.00000
    153       3.7575      0.00000
    154       3.9249      0.00000
    155       3.9516      0.00000
    156       4.0297      0.00000
    157       4.0741      0.00000
    158       4.1550      0.00000
    159       4.2326      0.00000
    160       4.2656      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2238      1.00000
      2     -22.0323      1.00000
      3     -21.6729      1.00000
      4     -21.6423      1.00000
      5     -20.9295      1.00000
      6     -20.8977      1.00000
      7     -20.5690      1.00000
      8     -20.5341      1.00000
      9     -20.5246      1.00000
     10     -19.9926      1.00000
     11     -19.4668      1.00000
     12     -19.4374      1.00000
     13     -19.2749      1.00000
     14     -19.2546      1.00000
     15     -18.4075      1.00000
     16     -18.3687      1.00000
     17     -17.8964      1.00000
     18     -17.8654      1.00000
     19     -17.7191      1.00000
     20     -17.6835      1.00000
     21     -17.4092      1.00000
     22     -17.3832      1.00000
     23     -17.3065      1.00000
     24     -16.4325      1.00000
     25     -16.4123      1.00000
     26     -15.9191      1.00000
     27     -15.3886      1.00000
     28     -15.3602      1.00000
     29     -15.0723      1.00000
     30     -15.0464      1.00000
     31     -14.8384      1.00000
     32     -14.8047      1.00000
     33     -14.2554      1.00000
     34     -14.2162      1.00000
     35     -13.4136      1.00000
     36     -13.3625      1.00000
     37     -13.1602      1.00000
     38     -13.1311      1.00000
     39     -12.9372      1.00000
     40     -12.9283      1.00000
     41     -12.6031      1.00000
     42     -12.5707      1.00000
     43     -12.1713      1.00000
     44     -11.5630      1.00000
     45     -11.5025      1.00000
     46     -11.3004      1.00000
     47     -11.2494      1.00000
     48     -11.1228      1.00000
     49     -10.6809      1.00000
     50     -10.6340      1.00000
     51     -10.4484      1.00000
     52     -10.2907      1.00000
     53     -10.2751      1.00000
     54     -10.1603      1.00000
     55     -10.0847      1.00000
     56     -10.0704      1.00000
     57      -9.7888      1.00000
     58      -9.7429      1.00000
     59      -9.6949      1.00000
     60      -9.6740      1.00000
     61      -9.6624      1.00000
     62      -9.5982      1.00000
     63      -9.3384      1.00000
     64      -9.3233      1.00000
     65      -9.2857      1.00000
     66      -9.0298      1.00000
     67      -8.9354      1.00000
     68      -8.8423      1.00000
     69      -8.7615      1.00000
     70      -8.5912      1.00000
     71      -8.4956      1.00000
     72      -8.3703      1.00000
     73      -8.3638      1.00000
     74      -8.3039      1.00000
     75      -8.2451      1.00000
     76      -8.2432      1.00000
     77      -8.2225      1.00000
     78      -8.1956      1.00000
     79      -7.8728      1.00000
     80      -7.7455      1.00000
     81      -7.3723      1.00000
     82      -7.3164      1.00000
     83      -7.2992      1.00000
     84      -7.2081      1.00000
     85      -7.1815      1.00000
     86      -6.9498      1.00000
     87      -6.9315      1.00000
     88      -6.5920      1.00000
     89      -6.5407      1.00000
     90      -6.2645      1.00000
     91      -6.2010      1.00000
     92      -5.9827      1.00000
     93      -5.8154      1.00000
     94      -5.6699      1.00000
     95      -5.5147      1.00000
     96      -5.3314      1.00000
     97      -5.3063      1.00000
     98      -5.1927      1.00000
     99      -5.1908      1.00000
    100      -5.1089      1.00000
    101      -4.6897      1.00000
    102      -4.5494      1.00000
    103      -4.4510      1.00000
    104      -3.9152      1.00000
    105      -3.7076      1.00000
    106      -3.5358      1.00000
    107      -2.9676      0.00000
    108      -1.8179      0.00000
    109      -1.7628      0.00000
    110      -1.0874      0.00000
    111      -0.9707      0.00000
    112      -0.9430      0.00000
    113      -0.6486      0.00000
    114      -0.6041      0.00000
    115      -0.5698      0.00000
    116      -0.5328      0.00000
    117       0.1748      0.00000
    118       0.2560      0.00000
    119       0.7863      0.00000
    120       1.0038      0.00000
    121       1.1133      0.00000
    122       1.1674      0.00000
    123       1.3555      0.00000
    124       1.4777      0.00000
    125       1.5901      0.00000
    126       1.5952      0.00000
    127       1.6778      0.00000
    128       1.9029      0.00000
    129       1.9451      0.00000
    130       2.0235      0.00000
    131       2.1822      0.00000
    132       2.3399      0.00000
    133       2.3863      0.00000
    134       2.4080      0.00000
    135       2.5954      0.00000
    136       2.6809      0.00000
    137       2.7361      0.00000
    138       2.7752      0.00000
    139       2.8323      0.00000
    140       3.0006      0.00000
    141       3.0488      0.00000
    142       3.0775      0.00000
    143       3.1349      0.00000
    144       3.2530      0.00000
    145       3.3264      0.00000
    146       3.3822      0.00000
    147       3.4474      0.00000
    148       3.5385      0.00000
    149       3.5720      0.00000
    150       3.6003      0.00000
    151       3.6729      0.00000
    152       3.6993      0.00000
    153       3.7585      0.00000
    154       3.7811      0.00000
    155       3.7885      0.00000
    156       3.9299      0.00000
    157       3.9323      0.00000
    158       4.0294      0.00000
    159       4.1980      0.00000
    160       4.2658      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2608      1.00000
      2     -21.8898      1.00000
      3     -21.8760      1.00000
      4     -21.3278      1.00000
      5     -21.3153      1.00000
      6     -20.7727      1.00000
      7     -20.7570      1.00000
      8     -20.5801      1.00000
      9     -20.0304      1.00000
     10     -20.0280      1.00000
     11     -19.6731      1.00000
     12     -19.6581      1.00000
     13     -18.9493      1.00000
     14     -18.9492      1.00000
     15     -18.5929      1.00000
     16     -18.5928      1.00000
     17     -18.4201      1.00000
     18     -17.6453      1.00000
     19     -17.5890      1.00000
     20     -17.5674      1.00000
     21     -17.5620      1.00000
     22     -17.0740      1.00000
     23     -17.0730      1.00000
     24     -16.9193      1.00000
     25     -15.9531      1.00000
     26     -15.9040      1.00000
     27     -15.5495      1.00000
     28     -15.5327      1.00000
     29     -15.2690      1.00000
     30     -14.8181      1.00000
     31     -14.7954      1.00000
     32     -14.5434      1.00000
     33     -14.5121      1.00000
     34     -14.1309      1.00000
     35     -14.1260      1.00000
     36     -13.1056      1.00000
     37     -13.0444      1.00000
     38     -13.0203      1.00000
     39     -12.9889      1.00000
     40     -12.6782      1.00000
     41     -12.6761      1.00000
     42     -12.2884      1.00000
     43     -12.2809      1.00000
     44     -11.6520      1.00000
     45     -11.5979      1.00000
     46     -11.5391      1.00000
     47     -10.9404      1.00000
     48     -10.8904      1.00000
     49     -10.6389      1.00000
     50     -10.5986      1.00000
     51     -10.4747      1.00000
     52     -10.4633      1.00000
     53     -10.4076      1.00000
     54     -10.4045      1.00000
     55     -10.3187      1.00000
     56     -10.0410      1.00000
     57      -9.8763      1.00000
     58      -9.5902      1.00000
     59      -9.5253      1.00000
     60      -9.5029      1.00000
     61      -9.3772      1.00000
     62      -9.3735      1.00000
     63      -9.3443      1.00000
     64      -9.2947      1.00000
     65      -9.2422      1.00000
     66      -9.1687      1.00000
     67      -9.1245      1.00000
     68      -9.0820      1.00000
     69      -8.8438      1.00000
     70      -8.8231      1.00000
     71      -8.6821      1.00000
     72      -8.5752      1.00000
     73      -8.4203      1.00000
     74      -8.1985      1.00000
     75      -8.1514      1.00000
     76      -7.9722      1.00000
     77      -7.8845      1.00000
     78      -7.8217      1.00000
     79      -7.7962      1.00000
     80      -7.7670      1.00000
     81      -7.6777      1.00000
     82      -7.6216      1.00000
     83      -7.4106      1.00000
     84      -7.3513      1.00000
     85      -6.8995      1.00000
     86      -6.8906      1.00000
     87      -6.7308      1.00000
     88      -6.6474      1.00000
     89      -6.4110      1.00000
     90      -6.3321      1.00000
     91      -6.2888      1.00000
     92      -6.1813      1.00000
     93      -5.9737      1.00000
     94      -5.5824      1.00000
     95      -5.4780      1.00000
     96      -5.4121      1.00000
     97      -5.3717      1.00000
     98      -5.1949      1.00000
     99      -5.1080      1.00000
    100      -4.7529      1.00000
    101      -4.7039      1.00000
    102      -4.5693      1.00000
    103      -4.4192      1.00000
    104      -4.2017      1.00000
    105      -3.5536      1.00000
    106      -3.3956      1.00000
    107      -3.0505      0.00000
    108      -2.1032      0.00000
    109      -1.2443      0.00000
    110      -1.2049      0.00000
    111      -1.1767      0.00000
    112      -0.9339      0.00000
    113      -0.8350      0.00000
    114      -0.7852      0.00000
    115      -0.7035      0.00000
    116       0.1976      0.00000
    117       0.2030      0.00000
    118       0.3055      0.00000
    119       0.7645      0.00000
    120       0.8211      0.00000
    121       0.9116      0.00000
    122       1.1169      0.00000
    123       1.3255      0.00000
    124       1.5046      0.00000
    125       1.5756      0.00000
    126       1.8062      0.00000
    127       1.8330      0.00000
    128       1.8708      0.00000
    129       1.9635      0.00000
    130       1.9758      0.00000
    131       2.2497      0.00000
    132       2.4016      0.00000
    133       2.4077      0.00000
    134       2.4233      0.00000
    135       2.5577      0.00000
    136       2.5814      0.00000
    137       2.6295      0.00000
    138       2.7124      0.00000
    139       2.7340      0.00000
    140       2.9570      0.00000
    141       3.0497      0.00000
    142       3.1236      0.00000
    143       3.1866      0.00000
    144       3.2276      0.00000
    145       3.2281      0.00000
    146       3.3067      0.00000
    147       3.3253      0.00000
    148       3.5102      0.00000
    149       3.5147      0.00000
    150       3.6241      0.00000
    151       3.6947      0.00000
    152       3.7144      0.00000
    153       3.7948      0.00000
    154       3.9259      0.00000
    155       3.9744      0.00000
    156       3.9782      0.00000
    157       3.9911      0.00000
    158       4.0031      0.00000
    159       4.0319      0.00000
    160       4.1380      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1293      1.00000
      2     -22.0899      1.00000
      3     -21.9190      1.00000
      4     -21.3595      1.00000
      5     -21.0051      1.00000
      6     -20.9690      1.00000
      7     -20.4534      1.00000
      8     -20.4152      1.00000
      9     -20.2622      1.00000
     10     -20.2323      1.00000
     11     -19.9012      1.00000
     12     -19.8631      1.00000
     13     -18.8283      1.00000
     14     -18.7844      1.00000
     15     -18.3130      1.00000
     16     -18.2625      1.00000
     17     -18.1221      1.00000
     18     -18.0924      1.00000
     19     -17.7864      1.00000
     20     -17.7474      1.00000
     21     -17.2269      1.00000
     22     -17.1936      1.00000
     23     -17.1338      1.00000
     24     -17.0937      1.00000
     25     -16.0593      1.00000
     26     -15.8591      1.00000
     27     -15.8230      1.00000
     28     -15.7890      1.00000
     29     -15.2101      1.00000
     30     -14.5301      1.00000
     31     -14.4848      1.00000
     32     -14.2542      1.00000
     33     -13.9314      1.00000
     34     -13.9193      1.00000
     35     -13.7931      1.00000
     36     -13.7629      1.00000
     37     -13.5827      1.00000
     38     -13.5346      1.00000
     39     -13.3241      1.00000
     40     -12.5858      1.00000
     41     -12.1755      1.00000
     42     -12.1014      1.00000
     43     -12.0349      1.00000
     44     -11.9901      1.00000
     45     -11.6580      1.00000
     46     -11.6230      1.00000
     47     -11.1378      1.00000
     48     -11.0834      1.00000
     49     -10.7806      1.00000
     50     -10.7036      1.00000
     51     -10.4054      1.00000
     52     -10.1959      1.00000
     53     -10.1676      1.00000
     54     -10.1277      1.00000
     55      -9.9947      1.00000
     56      -9.9834      1.00000
     57      -9.9416      1.00000
     58      -9.7938      1.00000
     59      -9.7746      1.00000
     60      -9.7412      1.00000
     61      -9.7222      1.00000
     62      -9.4368      1.00000
     63      -9.3356      1.00000
     64      -9.0893      1.00000
     65      -9.0479      1.00000
     66      -9.0022      1.00000
     67      -8.8913      1.00000
     68      -8.8265      1.00000
     69      -8.7088      1.00000
     70      -8.6678      1.00000
     71      -8.5664      1.00000
     72      -8.5065      1.00000
     73      -8.4714      1.00000
     74      -8.4395      1.00000
     75      -8.3320      1.00000
     76      -8.1987      1.00000
     77      -8.0672      1.00000
     78      -7.9814      1.00000
     79      -7.9059      1.00000
     80      -7.8818      1.00000
     81      -7.6957      1.00000
     82      -7.5615      1.00000
     83      -7.4931      1.00000
     84      -6.9801      1.00000
     85      -6.9113      1.00000
     86      -6.8613      1.00000
     87      -6.7415      1.00000
     88      -6.5193      1.00000
     89      -6.4676      1.00000
     90      -6.3797      1.00000
     91      -6.1924      1.00000
     92      -5.9307      1.00000
     93      -5.7964      1.00000
     94      -5.7511      1.00000
     95      -5.5570      1.00000
     96      -5.3771      1.00000
     97      -5.2442      1.00000
     98      -5.1962      1.00000
     99      -5.1827      1.00000
    100      -5.1235      1.00000
    101      -4.8095      1.00000
    102      -4.5392      1.00000
    103      -4.4572      1.00000
    104      -4.2457      1.00000
    105      -3.5546      1.00000
    106      -3.2907      1.00000
    107      -2.9397      0.00000
    108      -2.3444      0.00000
    109      -1.1843      0.00000
    110      -1.1647      0.00000
    111      -1.1135      0.00000
    112      -1.0608      0.00000
    113      -0.5042      0.00000
    114      -0.4571      0.00000
    115      -0.2968      0.00000
    116      -0.2733      0.00000
    117      -0.0009      0.00000
    118       0.0342      0.00000
    119       0.5318      0.00000
    120       0.6424      0.00000
    121       0.8807      0.00000
    122       0.9769      0.00000
    123       1.1877      0.00000
    124       1.5300      0.00000
    125       1.7566      0.00000
    126       1.7748      0.00000
    127       2.0083      0.00000
    128       2.1095      0.00000
    129       2.1304      0.00000
    130       2.1449      0.00000
    131       2.2590      0.00000
    132       2.3058      0.00000
    133       2.3554      0.00000
    134       2.4594      0.00000
    135       2.6669      0.00000
    136       2.7557      0.00000
    137       2.7959      0.00000
    138       2.8779      0.00000
    139       2.9561      0.00000
    140       2.9933      0.00000
    141       3.0511      0.00000
    142       3.1069      0.00000
    143       3.1626      0.00000
    144       3.2318      0.00000
    145       3.2614      0.00000
    146       3.2941      0.00000
    147       3.3254      0.00000
    148       3.3487      0.00000
    149       3.3928      0.00000
    150       3.5305      0.00000
    151       3.6044      0.00000
    152       3.6656      0.00000
    153       3.6899      0.00000
    154       3.7063      0.00000
    155       3.7266      0.00000
    156       3.7878      0.00000
    157       3.9567      0.00000
    158       4.0544      0.00000
    159       4.1263      0.00000
    160       4.2574      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2603      1.00000
      2     -21.9021      1.00000
      3     -21.8637      1.00000
      4     -21.3396      1.00000
      5     -21.3037      1.00000
      6     -20.7836      1.00000
      7     -20.7451      1.00000
      8     -20.5791      1.00000
      9     -20.0488      1.00000
     10     -20.0132      1.00000
     11     -19.6817      1.00000
     12     -19.6467      1.00000
     13     -18.9695      1.00000
     14     -18.9318      1.00000
     15     -18.6138      1.00000
     16     -18.5768      1.00000
     17     -18.4180      1.00000
     18     -17.6335      1.00000
     19     -17.5871      1.00000
     20     -17.5671      1.00000
     21     -17.5493      1.00000
     22     -17.0994      1.00000
     23     -17.0567      1.00000
     24     -16.9396      1.00000
     25     -15.9828      1.00000
     26     -15.8716      1.00000
     27     -15.5674      1.00000
     28     -15.5294      1.00000
     29     -15.2326      1.00000
     30     -14.8498      1.00000
     31     -14.7929      1.00000
     32     -14.5381      1.00000
     33     -14.5006      1.00000
     34     -14.1305      1.00000
     35     -14.1183      1.00000
     36     -13.1569      1.00000
     37     -13.0499      1.00000
     38     -12.9958      1.00000
     39     -12.9768      1.00000
     40     -12.6994      1.00000
     41     -12.6547      1.00000
     42     -12.2975      1.00000
     43     -12.2817      1.00000
     44     -11.6214      1.00000
     45     -11.5880      1.00000
     46     -11.5275      1.00000
     47     -10.9234      1.00000
     48     -10.8993      1.00000
     49     -10.7129      1.00000
     50     -10.5657      1.00000
     51     -10.5353      1.00000
     52     -10.4689      1.00000
     53     -10.4260      1.00000
     54     -10.3667      1.00000
     55     -10.3144      1.00000
     56     -10.0350      1.00000
     57      -9.8710      1.00000
     58      -9.6012      1.00000
     59      -9.5213      1.00000
     60      -9.4543      1.00000
     61      -9.4085      1.00000
     62      -9.3710      1.00000
     63      -9.3408      1.00000
     64      -9.2975      1.00000
     65      -9.2467      1.00000
     66      -9.1361      1.00000
     67      -9.0903      1.00000
     68      -9.0729      1.00000
     69      -8.8514      1.00000
     70      -8.8358      1.00000
     71      -8.7034      1.00000
     72      -8.5605      1.00000
     73      -8.4383      1.00000
     74      -8.1969      1.00000
     75      -8.1735      1.00000
     76      -8.0383      1.00000
     77      -7.8670      1.00000
     78      -7.8031      1.00000
     79      -7.7694      1.00000
     80      -7.7188      1.00000
     81      -7.6779      1.00000
     82      -7.6425      1.00000
     83      -7.4471      1.00000
     84      -7.3087      1.00000
     85      -6.9185      1.00000
     86      -6.8919      1.00000
     87      -6.7753      1.00000
     88      -6.5580      1.00000
     89      -6.3878      1.00000
     90      -6.3240      1.00000
     91      -6.2784      1.00000
     92      -6.1711      1.00000
     93      -6.0683      1.00000
     94      -5.7831      1.00000
     95      -5.5326      1.00000
     96      -5.3567      1.00000
     97      -5.2051      1.00000
     98      -5.1781      1.00000
     99      -5.0305      1.00000
    100      -4.8139      1.00000
    101      -4.6700      1.00000
    102      -4.4930      1.00000
    103      -4.4310      1.00000
    104      -4.2369      1.00000
    105      -3.6328      1.00000
    106      -3.5460      1.00000
    107      -2.8462      0.00000
    108      -2.1362      0.00000
    109      -1.2472      0.00000
    110      -1.1891      0.00000
    111      -1.1790      0.00000
    112      -0.8847      0.00000
    113      -0.8686      0.00000
    114      -0.7861      0.00000
    115      -0.7538      0.00000
    116       0.1419      0.00000
    117       0.2430      0.00000
    118       0.3161      0.00000
    119       0.7176      0.00000
    120       0.8570      0.00000
    121       0.9365      0.00000
    122       1.1643      0.00000
    123       1.2579      0.00000
    124       1.5185      0.00000
    125       1.5712      0.00000
    126       1.7987      0.00000
    127       1.8826      0.00000
    128       1.8849      0.00000
    129       1.9606      0.00000
    130       2.0457      0.00000
    131       2.2186      0.00000
    132       2.3325      0.00000
    133       2.4217      0.00000
    134       2.4364      0.00000
    135       2.5774      0.00000
    136       2.6066      0.00000
    137       2.6649      0.00000
    138       2.7144      0.00000
    139       2.7491      0.00000
    140       2.8881      0.00000
    141       3.0357      0.00000
    142       3.1337      0.00000
    143       3.1944      0.00000
    144       3.2164      0.00000
    145       3.2373      0.00000
    146       3.2775      0.00000
    147       3.3200      0.00000
    148       3.4408      0.00000
    149       3.5348      0.00000
    150       3.6046      0.00000
    151       3.6944      0.00000
    152       3.7031      0.00000
    153       3.8529      0.00000
    154       3.9012      0.00000
    155       3.9269      0.00000
    156       3.9562      0.00000
    157       4.0051      0.00000
    158       4.0101      0.00000
    159       4.0605      0.00000
    160       4.1093      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3353      1.00000
      2     -21.7747      1.00000
      3     -21.5942      1.00000
      4     -21.5694      1.00000
      5     -21.2248      1.00000
      6     -21.1954      1.00000
      7     -21.0194      1.00000
      8     -20.1201      1.00000
      9     -20.0882      1.00000
     10     -19.5785      1.00000
     11     -19.5442      1.00000
     12     -19.3729      1.00000
     13     -19.0617      1.00000
     14     -19.0213      1.00000
     15     -19.0047      1.00000
     16     -18.9868      1.00000
     17     -18.3347      1.00000
     18     -18.3037      1.00000
     19     -17.9733      1.00000
     20     -17.0236      1.00000
     21     -16.9819      1.00000
     22     -16.9263      1.00000
     23     -16.9006      1.00000
     24     -16.4567      1.00000
     25     -16.4218      1.00000
     26     -15.5781      1.00000
     27     -15.5496      1.00000
     28     -15.2047      1.00000
     29     -15.1824      1.00000
     30     -15.1621      1.00000
     31     -15.0827      1.00000
     32     -15.0289      1.00000
     33     -14.6722      1.00000
     34     -14.6455      1.00000
     35     -13.7055      1.00000
     36     -13.6732      1.00000
     37     -13.2059      1.00000
     38     -12.6393      1.00000
     39     -12.5386      1.00000
     40     -12.4260      1.00000
     41     -12.4036      1.00000
     42     -12.0749      1.00000
     43     -12.0537      1.00000
     44     -11.6810      1.00000
     45     -11.6491      1.00000
     46     -11.2885      1.00000
     47     -11.1865      1.00000
     48     -10.9953      1.00000
     49     -10.9635      1.00000
     50     -10.8909      1.00000
     51     -10.8588      1.00000
     52     -10.5629      1.00000
     53     -10.2062      1.00000
     54     -10.1161      1.00000
     55     -10.0579      1.00000
     56      -9.8902      1.00000
     57      -9.6634      1.00000
     58      -9.6627      1.00000
     59      -9.6270      1.00000
     60      -9.6021      1.00000
     61      -9.5347      1.00000
     62      -9.4752      1.00000
     63      -9.3122      1.00000
     64      -9.2637      1.00000
     65      -9.2257      1.00000
     66      -9.1936      1.00000
     67      -9.0943      1.00000
     68      -9.0904      1.00000
     69      -9.0690      1.00000
     70      -8.9033      1.00000
     71      -8.8428      1.00000
     72      -8.5749      1.00000
     73      -8.5617      1.00000
     74      -8.1697      1.00000
     75      -8.0110      1.00000
     76      -7.9461      1.00000
     77      -7.8861      1.00000
     78      -7.7783      1.00000
     79      -7.7265      1.00000
     80      -7.7123      1.00000
     81      -7.4028      1.00000
     82      -7.2812      1.00000
     83      -7.2446      1.00000
     84      -7.2195      1.00000
     85      -7.1529      1.00000
     86      -6.9719      1.00000
     87      -6.8569      1.00000
     88      -6.6947      1.00000
     89      -6.6628      1.00000
     90      -6.5856      1.00000
     91      -6.1591      1.00000
     92      -6.0853      1.00000
     93      -6.0746      1.00000
     94      -5.9115      1.00000
     95      -5.8823      1.00000
     96      -5.3761      1.00000
     97      -5.1918      1.00000
     98      -4.8735      1.00000
     99      -4.8563      1.00000
    100      -4.6466      1.00000
    101      -4.5237      1.00000
    102      -4.3906      1.00000
    103      -4.2660      1.00000
    104      -4.0647      1.00000
    105      -4.0403      1.00000
    106      -3.5643      1.00000
    107      -2.8677      0.00000
    108      -1.7050      0.00000
    109      -1.6996      0.00000
    110      -1.3086      0.00000
    111      -1.2609      0.00000
    112      -1.2316      0.00000
    113      -1.2289      0.00000
    114      -0.5656      0.00000
    115      -0.2561      0.00000
    116      -0.1161      0.00000
    117       0.5826      0.00000
    118       0.6715      0.00000
    119       0.8071      0.00000
    120       0.9566      0.00000
    121       1.1403      0.00000
    122       1.2055      0.00000
    123       1.2802      0.00000
    124       1.4488      0.00000
    125       1.6164      0.00000
    126       1.6842      0.00000
    127       1.7689      0.00000
    128       1.7768      0.00000
    129       1.9116      0.00000
    130       1.9365      0.00000
    131       2.1809      0.00000
    132       2.1929      0.00000
    133       2.2293      0.00000
    134       2.4704      0.00000
    135       2.4970      0.00000
    136       2.5853      0.00000
    137       2.6355      0.00000
    138       2.7070      0.00000
    139       2.8086      0.00000
    140       2.8202      0.00000
    141       2.8607      0.00000
    142       2.9477      0.00000
    143       2.9742      0.00000
    144       3.0159      0.00000
    145       3.1355      0.00000
    146       3.3439      0.00000
    147       3.3742      0.00000
    148       3.4158      0.00000
    149       3.5815      0.00000
    150       3.6039      0.00000
    151       3.6341      0.00000
    152       3.6665      0.00000
    153       3.7783      0.00000
    154       3.7937      0.00000
    155       3.9975      0.00000
    156       4.0319      0.00000
    157       4.0444      0.00000
    158       4.1155      0.00000
    159       4.2296      0.00000
    160       4.3436      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1194      1.00000
      2     -22.1017      1.00000
      3     -21.9171      1.00000
      4     -21.3601      1.00000
      5     -20.9930      1.00000
      6     -20.9808      1.00000
      7     -20.4416      1.00000
      8     -20.4275      1.00000
      9     -20.2474      1.00000
     10     -20.2458      1.00000
     11     -19.8902      1.00000
     12     -19.8752      1.00000
     13     -18.8243      1.00000
     14     -18.7967      1.00000
     15     -18.2834      1.00000
     16     -18.2779      1.00000
     17     -18.1135      1.00000
     18     -18.1067      1.00000
     19     -17.7654      1.00000
     20     -17.7615      1.00000
     21     -17.2313      1.00000
     22     -17.2028      1.00000
     23     -17.1140      1.00000
     24     -17.1010      1.00000
     25     -16.0913      1.00000
     26     -15.8338      1.00000
     27     -15.8235      1.00000
     28     -15.8073      1.00000
     29     -15.1829      1.00000
     30     -14.5139      1.00000
     31     -14.5003      1.00000
     32     -14.2284      1.00000
     33     -13.9632      1.00000
     34     -13.9243      1.00000
     35     -13.7898      1.00000
     36     -13.7768      1.00000
     37     -13.5601      1.00000
     38     -13.5410      1.00000
     39     -13.3300      1.00000
     40     -12.6103      1.00000
     41     -12.1310      1.00000
     42     -12.1201      1.00000
     43     -12.0098      1.00000
     44     -11.9916      1.00000
     45     -11.6502      1.00000
     46     -11.6346      1.00000
     47     -11.1413      1.00000
     48     -11.1041      1.00000
     49     -10.7641      1.00000
     50     -10.7050      1.00000
     51     -10.4433      1.00000
     52     -10.1721      1.00000
     53     -10.1646      1.00000
     54     -10.1485      1.00000
     55     -10.0027      1.00000
     56      -9.9626      1.00000
     57      -9.9370      1.00000
     58      -9.8136      1.00000
     59      -9.7636      1.00000
     60      -9.7439      1.00000
     61      -9.7287      1.00000
     62      -9.4365      1.00000
     63      -9.3334      1.00000
     64      -9.0772      1.00000
     65      -9.0392      1.00000
     66      -8.9700      1.00000
     67      -8.9407      1.00000
     68      -8.8021      1.00000
     69      -8.6821      1.00000
     70      -8.6657      1.00000
     71      -8.5505      1.00000
     72      -8.5183      1.00000
     73      -8.4443      1.00000
     74      -8.4381      1.00000
     75      -8.3004      1.00000
     76      -8.2316      1.00000
     77      -8.1077      1.00000
     78      -8.0488      1.00000
     79      -8.0246      1.00000
     80      -7.7873      1.00000
     81      -7.6021      1.00000
     82      -7.5932      1.00000
     83      -7.4633      1.00000
     84      -7.0005      1.00000
     85      -6.9461      1.00000
     86      -6.8605      1.00000
     87      -6.5761      1.00000
     88      -6.5438      1.00000
     89      -6.4593      1.00000
     90      -6.4092      1.00000
     91      -6.3307      1.00000
     92      -5.9853      1.00000
     93      -5.7696      1.00000
     94      -5.7278      1.00000
     95      -5.5590      1.00000
     96      -5.3797      1.00000
     97      -5.2042      1.00000
     98      -5.2005      1.00000
     99      -5.1786      1.00000
    100      -5.1568      1.00000
    101      -4.6497      1.00000
    102      -4.5013      1.00000
    103      -4.4419      1.00000
    104      -4.3847      1.00000
    105      -3.5720      1.00000
    106      -3.4317      1.00000
    107      -2.7347      0.00000
    108      -2.4086      0.00000
    109      -1.1664      0.00000
    110      -1.1557      0.00000
    111      -1.1485      0.00000
    112      -1.0537      0.00000
    113      -0.4886      0.00000
    114      -0.4788      0.00000
    115      -0.3246      0.00000
    116      -0.2485      0.00000
    117       0.0061      0.00000
    118       0.0090      0.00000
    119       0.5213      0.00000
    120       0.6626      0.00000
    121       0.8179      0.00000
    122       1.0046      0.00000
    123       1.2410      0.00000
    124       1.4960      0.00000
    125       1.7608      0.00000
    126       1.9548      0.00000
    127       1.9582      0.00000
    128       2.0277      0.00000
    129       2.0870      0.00000
    130       2.1802      0.00000
    131       2.2865      0.00000
    132       2.2928      0.00000
    133       2.3558      0.00000
    134       2.5586      0.00000
    135       2.6359      0.00000
    136       2.6816      0.00000
    137       2.8506      0.00000
    138       2.8901      0.00000
    139       2.9633      0.00000
    140       2.9719      0.00000
    141       3.1258      0.00000
    142       3.1413      0.00000
    143       3.1457      0.00000
    144       3.1816      0.00000
    145       3.2437      0.00000
    146       3.2460      0.00000
    147       3.3352      0.00000
    148       3.3569      0.00000
    149       3.4005      0.00000
    150       3.4117      0.00000
    151       3.5101      0.00000
    152       3.6273      0.00000
    153       3.6855      0.00000
    154       3.6976      0.00000
    155       3.8358      0.00000
    156       3.9090      0.00000
    157       3.9656      0.00000
    158       3.9901      0.00000
    159       4.1123      0.00000
    160       4.2002      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2227      1.00000
      2     -22.0346      1.00000
      3     -21.6700      1.00000
      4     -21.6441      1.00000
      5     -20.9290      1.00000
      6     -20.8985      1.00000
      7     -20.5592      1.00000
      8     -20.5388      1.00000
      9     -20.5284      1.00000
     10     -19.9916      1.00000
     11     -19.4686      1.00000
     12     -19.4356      1.00000
     13     -19.2825      1.00000
     14     -19.2553      1.00000
     15     -18.3997      1.00000
     16     -18.3678      1.00000
     17     -17.8986      1.00000
     18     -17.8663      1.00000
     19     -17.7148      1.00000
     20     -17.6806      1.00000
     21     -17.4136      1.00000
     22     -17.3828      1.00000
     23     -17.2936      1.00000
     24     -16.4562      1.00000
     25     -16.4170      1.00000
     26     -15.9356      1.00000
     27     -15.3813      1.00000
     28     -15.3534      1.00000
     29     -15.0698      1.00000
     30     -15.0401      1.00000
     31     -14.8101      1.00000
     32     -14.7886      1.00000
     33     -14.2853      1.00000
     34     -14.2139      1.00000
     35     -13.4423      1.00000
     36     -13.3597      1.00000
     37     -13.1539      1.00000
     38     -13.1223      1.00000
     39     -12.9608      1.00000
     40     -12.9304      1.00000
     41     -12.5877      1.00000
     42     -12.5605      1.00000
     43     -12.1717      1.00000
     44     -11.5384      1.00000
     45     -11.5025      1.00000
     46     -11.2766      1.00000
     47     -11.2481      1.00000
     48     -11.1288      1.00000
     49     -10.7681      1.00000
     50     -10.6279      1.00000
     51     -10.4505      1.00000
     52     -10.2806      1.00000
     53     -10.2735      1.00000
     54     -10.1671      1.00000
     55     -10.0910      1.00000
     56     -10.0573      1.00000
     57      -9.8056      1.00000
     58      -9.7031      1.00000
     59      -9.6894      1.00000
     60      -9.6823      1.00000
     61      -9.6700      1.00000
     62      -9.6049      1.00000
     63      -9.3430      1.00000
     64      -9.3158      1.00000
     65      -9.2914      1.00000
     66      -8.9688      1.00000
     67      -8.9284      1.00000
     68      -8.8788      1.00000
     69      -8.7478      1.00000
     70      -8.5642      1.00000
     71      -8.4836      1.00000
     72      -8.4003      1.00000
     73      -8.3616      1.00000
     74      -8.2849      1.00000
     75      -8.2390      1.00000
     76      -8.2264      1.00000
     77      -8.2117      1.00000
     78      -8.1966      1.00000
     79      -7.9936      1.00000
     80      -7.7796      1.00000
     81      -7.4123      1.00000
     82      -7.3163      1.00000
     83      -7.2371      1.00000
     84      -7.1401      1.00000
     85      -7.0960      1.00000
     86      -6.9568      1.00000
     87      -6.9094      1.00000
     88      -6.5888      1.00000
     89      -6.5542      1.00000
     90      -6.4338      1.00000
     91      -6.2514      1.00000
     92      -5.9033      1.00000
     93      -5.8226      1.00000
     94      -5.6753      1.00000
     95      -5.5842      1.00000
     96      -5.2946      1.00000
     97      -5.2598      1.00000
     98      -5.1850      1.00000
     99      -5.1842      1.00000
    100      -5.1608      1.00000
    101      -4.5220      1.00000
    102      -4.4553      1.00000
    103      -4.3976      1.00000
    104      -4.0768      1.00000
    105      -3.9287      1.00000
    106      -3.5175      1.00000
    107      -2.8172      0.00000
    108      -1.8055      0.00000
    109      -1.7936      0.00000
    110      -1.0764      0.00000
    111      -1.0118      0.00000
    112      -0.9281      0.00000
    113      -0.6563      0.00000
    114      -0.6055      0.00000
    115      -0.5695      0.00000
    116      -0.5296      0.00000
    117       0.1598      0.00000
    118       0.2634      0.00000
    119       0.7081      0.00000
    120       0.9733      0.00000
    121       1.0933      0.00000
    122       1.2552      0.00000
    123       1.4217      0.00000
    124       1.5321      0.00000
    125       1.5990      0.00000
    126       1.6235      0.00000
    127       1.6476      0.00000
    128       1.8425      0.00000
    129       1.9334      0.00000
    130       2.1085      0.00000
    131       2.2022      0.00000
    132       2.3372      0.00000
    133       2.3732      0.00000
    134       2.4703      0.00000
    135       2.6009      0.00000
    136       2.6604      0.00000
    137       2.7307      0.00000
    138       2.7419      0.00000
    139       2.8463      0.00000
    140       2.9526      0.00000
    141       3.0479      0.00000
    142       3.0706      0.00000
    143       3.1895      0.00000
    144       3.2845      0.00000
    145       3.3325      0.00000
    146       3.3390      0.00000
    147       3.4670      0.00000
    148       3.5267      0.00000
    149       3.5616      0.00000
    150       3.6005      0.00000
    151       3.6150      0.00000
    152       3.6890      0.00000
    153       3.7309      0.00000
    154       3.7661      0.00000
    155       3.7736      0.00000
    156       3.8459      0.00000
    157       3.9251      0.00000
    158       4.0027      0.00000
    159       4.0308      0.00000
    160       4.2760      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3729      1.00000
      2     -21.5058      1.00000
      3     -21.4307      1.00000
      4     -21.4304      1.00000
      5     -21.4189      1.00000
      6     -21.4086      1.00000
      7     -21.4044      1.00000
      8     -19.6670      1.00000
      9     -19.5973      1.00000
     10     -19.5923      1.00000
     11     -19.5806      1.00000
     12     -19.5686      1.00000
     13     -19.5655      1.00000
     14     -18.7661      1.00000
     15     -18.7034      1.00000
     16     -18.6964      1.00000
     17     -18.6832      1.00000
     18     -18.6753      1.00000
     19     -18.6700      1.00000
     20     -16.6325      1.00000
     21     -16.5499      1.00000
     22     -16.5440      1.00000
     23     -16.5355      1.00000
     24     -16.5261      1.00000
     25     -16.5220      1.00000
     26     -15.6075      1.00000
     27     -15.5662      1.00000
     28     -15.5237      1.00000
     29     -15.5220      1.00000
     30     -15.5198      1.00000
     31     -15.5162      1.00000
     32     -14.2562      1.00000
     33     -14.2211      1.00000
     34     -14.1951      1.00000
     35     -14.1944      1.00000
     36     -14.1767      1.00000
     37     -14.1712      1.00000
     38     -11.9851      1.00000
     39     -11.8726      1.00000
     40     -11.8246      1.00000
     41     -11.8097      1.00000
     42     -11.8085      1.00000
     43     -11.8025      1.00000
     44     -11.7292      1.00000
     45     -11.7238      1.00000
     46     -11.7055      1.00000
     47     -11.6971      1.00000
     48     -11.6907      1.00000
     49     -11.6823      1.00000
     50     -10.6444      1.00000
     51     -10.3750      1.00000
     52     -10.3581      1.00000
     53     -10.3366      1.00000
     54     -10.3285      1.00000
     55     -10.3208      1.00000
     56     -10.2965      1.00000
     57      -9.7924      1.00000
     58      -9.4113      1.00000
     59      -9.3914      1.00000
     60      -9.3531      1.00000
     61      -9.3427      1.00000
     62      -9.3331      1.00000
     63      -9.1752      1.00000
     64      -9.0801      1.00000
     65      -9.0768      1.00000
     66      -9.0633      1.00000
     67      -9.0592      1.00000
     68      -9.0323      1.00000
     69      -9.0295      1.00000
     70      -9.0261      1.00000
     71      -9.0133      1.00000
     72      -9.0038      1.00000
     73      -8.9944      1.00000
     74      -8.9742      1.00000
     75      -7.9868      1.00000
     76      -7.7012      1.00000
     77      -7.5077      1.00000
     78      -7.4852      1.00000
     79      -7.4621      1.00000
     80      -7.4115      1.00000
     81      -7.3961      1.00000
     82      -7.3777      1.00000
     83      -7.3466      1.00000
     84      -7.2245      1.00000
     85      -7.1824      1.00000
     86      -7.1776      1.00000
     87      -7.1744      1.00000
     88      -6.6142      1.00000
     89      -6.5776      1.00000
     90      -6.3663      1.00000
     91      -6.3571      1.00000
     92      -6.3178      1.00000
     93      -6.2937      1.00000
     94      -5.9416      1.00000
     95      -5.8958      1.00000
     96      -5.3605      1.00000
     97      -5.1938      1.00000
     98      -4.8401      1.00000
     99      -4.7157      1.00000
    100      -4.3635      1.00000
    101      -4.3575      1.00000
    102      -4.3465      1.00000
    103      -4.3353      1.00000
    104      -4.1690      1.00000
    105      -3.9334      1.00000
    106      -3.5927      1.00000
    107      -2.9231      0.00000
    108      -1.5529      0.00000
    109      -1.5507      0.00000
    110      -1.5376      0.00000
    111      -1.5375      0.00000
    112      -1.4797      0.00000
    113      -1.4647      0.00000
    114       0.0754      0.00000
    115       0.2364      0.00000
    116       0.2821      0.00000
    117       0.3014      0.00000
    118       0.3055      0.00000
    119       0.3723      0.00000
    120       0.6108      0.00000
    121       1.2662      0.00000
    122       1.3617      0.00000
    123       1.6953      0.00000
    124       1.7545      0.00000
    125       1.7798      0.00000
    126       1.7847      0.00000
    127       1.8480      0.00000
    128       1.8726      0.00000
    129       1.9992      0.00000
    130       2.0045      0.00000
    131       2.0159      0.00000
    132       2.0212      0.00000
    133       2.0231      0.00000
    134       2.0826      0.00000
    135       2.3104      0.00000
    136       2.4590      0.00000
    137       2.5748      0.00000
    138       2.5882      0.00000
    139       2.6217      0.00000
    140       2.7359      0.00000
    141       2.8344      0.00000
    142       3.0270      0.00000
    143       3.0349      0.00000
    144       3.0517      0.00000
    145       3.0666      0.00000
    146       3.0892      0.00000
    147       3.1063      0.00000
    148       3.4415      0.00000
    149       3.5381      0.00000
    150       3.5822      0.00000
    151       3.8984      0.00000
    152       3.9065      0.00000
    153       3.9446      0.00000
    154       3.9505      0.00000
    155       3.9796      0.00000
    156       4.0479      0.00000
    157       4.1584      0.00000
    158       4.2062      0.00000
    159       4.2532      0.00000
    160       4.2579      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3354      1.00000
      2     -21.7730      1.00000
      3     -21.5985      1.00000
      4     -21.5674      1.00000
      5     -21.2234      1.00000
      6     -21.1946      1.00000
      7     -21.0214      1.00000
      8     -20.1209      1.00000
      9     -20.0877      1.00000
     10     -19.5725      1.00000
     11     -19.5453      1.00000
     12     -19.3793      1.00000
     13     -19.0513      1.00000
     14     -19.0193      1.00000
     15     -19.0062      1.00000
     16     -18.9948      1.00000
     17     -18.3288      1.00000
     18     -18.3043      1.00000
     19     -17.9827      1.00000
     20     -17.0371      1.00000
     21     -16.9848      1.00000
     22     -16.9192      1.00000
     23     -16.8978      1.00000
     24     -16.4375      1.00000
     25     -16.4146      1.00000
     26     -15.5896      1.00000
     27     -15.5581      1.00000
     28     -15.2358      1.00000
     29     -15.1967      1.00000
     30     -15.1335      1.00000
     31     -15.0596      1.00000
     32     -15.0297      1.00000
     33     -14.6689      1.00000
     34     -14.6510      1.00000
     35     -13.7061      1.00000
     36     -13.6806      1.00000
     37     -13.2035      1.00000
     38     -12.5995      1.00000
     39     -12.5416      1.00000
     40     -12.4199      1.00000
     41     -12.4054      1.00000
     42     -12.1108      1.00000
     43     -12.0686      1.00000
     44     -11.6957      1.00000
     45     -11.6466      1.00000
     46     -11.2335      1.00000
     47     -11.1910      1.00000
     48     -11.0084      1.00000
     49     -10.9734      1.00000
     50     -10.9093      1.00000
     51     -10.8661      1.00000
     52     -10.5306      1.00000
     53     -10.1289      1.00000
     54     -10.1242      1.00000
     55     -10.0820      1.00000
     56      -9.9200      1.00000
     57      -9.7071      1.00000
     58      -9.6721      1.00000
     59      -9.6119      1.00000
     60      -9.5836      1.00000
     61      -9.5415      1.00000
     62      -9.4805      1.00000
     63      -9.2987      1.00000
     64      -9.2767      1.00000
     65      -9.2285      1.00000
     66      -9.1753      1.00000
     67      -9.1116      1.00000
     68      -9.0773      1.00000
     69      -9.0649      1.00000
     70      -8.9055      1.00000
     71      -8.8448      1.00000
     72      -8.6013      1.00000
     73      -8.5666      1.00000
     74      -8.1235      1.00000
     75      -8.0458      1.00000
     76      -7.9498      1.00000
     77      -7.8298      1.00000
     78      -7.7917      1.00000
     79      -7.7316      1.00000
     80      -7.6924      1.00000
     81      -7.3496      1.00000
     82      -7.3340      1.00000
     83      -7.3279      1.00000
     84      -7.2707      1.00000
     85      -7.0662      1.00000
     86      -6.9808      1.00000
     87      -6.8256      1.00000
     88      -6.7505      1.00000
     89      -6.6432      1.00000
     90      -6.5647      1.00000
     91      -6.1381      1.00000
     92      -6.1070      1.00000
     93      -6.0918      1.00000
     94      -5.9665      1.00000
     95      -5.7355      1.00000
     96      -5.3967      1.00000
     97      -5.2085      1.00000
     98      -4.9404      1.00000
     99      -4.7994      1.00000
    100      -4.6383      1.00000
    101      -4.5376      1.00000
    102      -4.4855      1.00000
    103      -4.3644      1.00000
    104      -4.0454      1.00000
    105      -3.8148      1.00000
    106      -3.5699      1.00000
    107      -2.9453      0.00000
    108      -1.7193      0.00000
    109      -1.6762      0.00000
    110      -1.2942      0.00000
    111      -1.2718      0.00000
    112      -1.2462      0.00000
    113      -1.2146      0.00000
    114      -0.5618      0.00000
    115      -0.1901      0.00000
    116      -0.1716      0.00000
    117       0.6277      0.00000
    118       0.6747      0.00000
    119       0.7265      0.00000
    120       0.9846      0.00000
    121       1.1160      0.00000
    122       1.2393      0.00000
    123       1.3376      0.00000
    124       1.4408      0.00000
    125       1.4938      0.00000
    126       1.7369      0.00000
    127       1.7594      0.00000
    128       1.7977      0.00000
    129       1.8539      0.00000
    130       1.9493      0.00000
    131       2.1664      0.00000
    132       2.2072      0.00000
    133       2.2524      0.00000
    134       2.4270      0.00000
    135       2.5056      0.00000
    136       2.6029      0.00000
    137       2.6856      0.00000
    138       2.6938      0.00000
    139       2.7721      0.00000
    140       2.7945      0.00000
    141       2.8494      0.00000
    142       2.8552      0.00000
    143       2.9887      0.00000
    144       3.0523      0.00000
    145       3.2628      0.00000
    146       3.3511      0.00000
    147       3.3629      0.00000
    148       3.4417      0.00000
    149       3.5173      0.00000
    150       3.5682      0.00000
    151       3.6467      0.00000
    152       3.7197      0.00000
    153       3.7575      0.00000
    154       3.9249      0.00000
    155       3.9516      0.00000
    156       4.0297      0.00000
    157       4.0741      0.00000
    158       4.1550      0.00000
    159       4.2327      0.00000
    160       4.2657      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2238      1.00000
      2     -22.0323      1.00000
      3     -21.6729      1.00000
      4     -21.6423      1.00000
      5     -20.9295      1.00000
      6     -20.8977      1.00000
      7     -20.5690      1.00000
      8     -20.5341      1.00000
      9     -20.5246      1.00000
     10     -19.9926      1.00000
     11     -19.4668      1.00000
     12     -19.4374      1.00000
     13     -19.2749      1.00000
     14     -19.2546      1.00000
     15     -18.4075      1.00000
     16     -18.3687      1.00000
     17     -17.8964      1.00000
     18     -17.8654      1.00000
     19     -17.7191      1.00000
     20     -17.6835      1.00000
     21     -17.4092      1.00000
     22     -17.3832      1.00000
     23     -17.3065      1.00000
     24     -16.4325      1.00000
     25     -16.4123      1.00000
     26     -15.9191      1.00000
     27     -15.3886      1.00000
     28     -15.3602      1.00000
     29     -15.0723      1.00000
     30     -15.0464      1.00000
     31     -14.8384      1.00000
     32     -14.8047      1.00000
     33     -14.2554      1.00000
     34     -14.2162      1.00000
     35     -13.4136      1.00000
     36     -13.3625      1.00000
     37     -13.1602      1.00000
     38     -13.1311      1.00000
     39     -12.9372      1.00000
     40     -12.9283      1.00000
     41     -12.6031      1.00000
     42     -12.5707      1.00000
     43     -12.1713      1.00000
     44     -11.5630      1.00000
     45     -11.5025      1.00000
     46     -11.3004      1.00000
     47     -11.2494      1.00000
     48     -11.1228      1.00000
     49     -10.6809      1.00000
     50     -10.6340      1.00000
     51     -10.4484      1.00000
     52     -10.2907      1.00000
     53     -10.2751      1.00000
     54     -10.1603      1.00000
     55     -10.0847      1.00000
     56     -10.0704      1.00000
     57      -9.7888      1.00000
     58      -9.7429      1.00000
     59      -9.6949      1.00000
     60      -9.6740      1.00000
     61      -9.6624      1.00000
     62      -9.5982      1.00000
     63      -9.3384      1.00000
     64      -9.3233      1.00000
     65      -9.2857      1.00000
     66      -9.0298      1.00000
     67      -8.9354      1.00000
     68      -8.8423      1.00000
     69      -8.7615      1.00000
     70      -8.5912      1.00000
     71      -8.4956      1.00000
     72      -8.3703      1.00000
     73      -8.3638      1.00000
     74      -8.3039      1.00000
     75      -8.2451      1.00000
     76      -8.2432      1.00000
     77      -8.2225      1.00000
     78      -8.1956      1.00000
     79      -7.8728      1.00000
     80      -7.7455      1.00000
     81      -7.3723      1.00000
     82      -7.3164      1.00000
     83      -7.2992      1.00000
     84      -7.2081      1.00000
     85      -7.1815      1.00000
     86      -6.9498      1.00000
     87      -6.9315      1.00000
     88      -6.5920      1.00000
     89      -6.5407      1.00000
     90      -6.2645      1.00000
     91      -6.2010      1.00000
     92      -5.9827      1.00000
     93      -5.8154      1.00000
     94      -5.6699      1.00000
     95      -5.5147      1.00000
     96      -5.3314      1.00000
     97      -5.3063      1.00000
     98      -5.1927      1.00000
     99      -5.1908      1.00000
    100      -5.1089      1.00000
    101      -4.6897      1.00000
    102      -4.5494      1.00000
    103      -4.4510      1.00000
    104      -3.9152      1.00000
    105      -3.7076      1.00000
    106      -3.5358      1.00000
    107      -2.9676      0.00000
    108      -1.8179      0.00000
    109      -1.7628      0.00000
    110      -1.0874      0.00000
    111      -0.9707      0.00000
    112      -0.9430      0.00000
    113      -0.6486      0.00000
    114      -0.6041      0.00000
    115      -0.5698      0.00000
    116      -0.5328      0.00000
    117       0.1748      0.00000
    118       0.2560      0.00000
    119       0.7863      0.00000
    120       1.0038      0.00000
    121       1.1133      0.00000
    122       1.1674      0.00000
    123       1.3555      0.00000
    124       1.4777      0.00000
    125       1.5901      0.00000
    126       1.5952      0.00000
    127       1.6778      0.00000
    128       1.9029      0.00000
    129       1.9451      0.00000
    130       2.0235      0.00000
    131       2.1821      0.00000
    132       2.3399      0.00000
    133       2.3863      0.00000
    134       2.4080      0.00000
    135       2.5953      0.00000
    136       2.6809      0.00000
    137       2.7360      0.00000
    138       2.7752      0.00000
    139       2.8323      0.00000
    140       3.0006      0.00000
    141       3.0488      0.00000
    142       3.0775      0.00000
    143       3.1349      0.00000
    144       3.2529      0.00000
    145       3.3264      0.00000
    146       3.3822      0.00000
    147       3.4474      0.00000
    148       3.5385      0.00000
    149       3.5720      0.00000
    150       3.6003      0.00000
    151       3.6729      0.00000
    152       3.6993      0.00000
    153       3.7584      0.00000
    154       3.7810      0.00000
    155       3.7884      0.00000
    156       3.9299      0.00000
    157       3.9323      0.00000
    158       4.0293      0.00000
    159       4.1984      0.00000
    160       4.2610      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2608      1.00000
      2     -21.8898      1.00000
      3     -21.8760      1.00000
      4     -21.3278      1.00000
      5     -21.3153      1.00000
      6     -20.7727      1.00000
      7     -20.7570      1.00000
      8     -20.5801      1.00000
      9     -20.0304      1.00000
     10     -20.0280      1.00000
     11     -19.6731      1.00000
     12     -19.6581      1.00000
     13     -18.9493      1.00000
     14     -18.9492      1.00000
     15     -18.5929      1.00000
     16     -18.5928      1.00000
     17     -18.4201      1.00000
     18     -17.6453      1.00000
     19     -17.5890      1.00000
     20     -17.5674      1.00000
     21     -17.5620      1.00000
     22     -17.0740      1.00000
     23     -17.0730      1.00000
     24     -16.9193      1.00000
     25     -15.9531      1.00000
     26     -15.9040      1.00000
     27     -15.5495      1.00000
     28     -15.5327      1.00000
     29     -15.2690      1.00000
     30     -14.8181      1.00000
     31     -14.7954      1.00000
     32     -14.5434      1.00000
     33     -14.5121      1.00000
     34     -14.1309      1.00000
     35     -14.1260      1.00000
     36     -13.1056      1.00000
     37     -13.0444      1.00000
     38     -13.0203      1.00000
     39     -12.9889      1.00000
     40     -12.6782      1.00000
     41     -12.6761      1.00000
     42     -12.2884      1.00000
     43     -12.2809      1.00000
     44     -11.6520      1.00000
     45     -11.5979      1.00000
     46     -11.5391      1.00000
     47     -10.9404      1.00000
     48     -10.8904      1.00000
     49     -10.6389      1.00000
     50     -10.5986      1.00000
     51     -10.4747      1.00000
     52     -10.4633      1.00000
     53     -10.4076      1.00000
     54     -10.4045      1.00000
     55     -10.3187      1.00000
     56     -10.0410      1.00000
     57      -9.8763      1.00000
     58      -9.5902      1.00000
     59      -9.5253      1.00000
     60      -9.5029      1.00000
     61      -9.3772      1.00000
     62      -9.3735      1.00000
     63      -9.3443      1.00000
     64      -9.2947      1.00000
     65      -9.2422      1.00000
     66      -9.1687      1.00000
     67      -9.1245      1.00000
     68      -9.0820      1.00000
     69      -8.8438      1.00000
     70      -8.8231      1.00000
     71      -8.6821      1.00000
     72      -8.5752      1.00000
     73      -8.4203      1.00000
     74      -8.1985      1.00000
     75      -8.1514      1.00000
     76      -7.9722      1.00000
     77      -7.8845      1.00000
     78      -7.8217      1.00000
     79      -7.7962      1.00000
     80      -7.7670      1.00000
     81      -7.6777      1.00000
     82      -7.6216      1.00000
     83      -7.4106      1.00000
     84      -7.3513      1.00000
     85      -6.8995      1.00000
     86      -6.8906      1.00000
     87      -6.7308      1.00000
     88      -6.6474      1.00000
     89      -6.4110      1.00000
     90      -6.3321      1.00000
     91      -6.2888      1.00000
     92      -6.1813      1.00000
     93      -5.9737      1.00000
     94      -5.5824      1.00000
     95      -5.4780      1.00000
     96      -5.4121      1.00000
     97      -5.3717      1.00000
     98      -5.1949      1.00000
     99      -5.1080      1.00000
    100      -4.7529      1.00000
    101      -4.7039      1.00000
    102      -4.5693      1.00000
    103      -4.4192      1.00000
    104      -4.2017      1.00000
    105      -3.5536      1.00000
    106      -3.3956      1.00000
    107      -3.0505      0.00000
    108      -2.1032      0.00000
    109      -1.2443      0.00000
    110      -1.2049      0.00000
    111      -1.1767      0.00000
    112      -0.9339      0.00000
    113      -0.8350      0.00000
    114      -0.7852      0.00000
    115      -0.7035      0.00000
    116       0.1976      0.00000
    117       0.2030      0.00000
    118       0.3055      0.00000
    119       0.7645      0.00000
    120       0.8211      0.00000
    121       0.9116      0.00000
    122       1.1169      0.00000
    123       1.3255      0.00000
    124       1.5046      0.00000
    125       1.5756      0.00000
    126       1.8062      0.00000
    127       1.8330      0.00000
    128       1.8708      0.00000
    129       1.9635      0.00000
    130       1.9758      0.00000
    131       2.2496      0.00000
    132       2.4015      0.00000
    133       2.4076      0.00000
    134       2.4233      0.00000
    135       2.5577      0.00000
    136       2.5814      0.00000
    137       2.6295      0.00000
    138       2.7124      0.00000
    139       2.7340      0.00000
    140       2.9570      0.00000
    141       3.0497      0.00000
    142       3.1236      0.00000
    143       3.1865      0.00000
    144       3.2275      0.00000
    145       3.2281      0.00000
    146       3.3067      0.00000
    147       3.3253      0.00000
    148       3.5102      0.00000
    149       3.5147      0.00000
    150       3.6241      0.00000
    151       3.6947      0.00000
    152       3.7143      0.00000
    153       3.7947      0.00000
    154       3.9259      0.00000
    155       3.9744      0.00000
    156       3.9782      0.00000
    157       3.9911      0.00000
    158       4.0031      0.00000
    159       4.0318      0.00000
    160       4.1379      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1293      1.00000
      2     -22.0899      1.00000
      3     -21.9190      1.00000
      4     -21.3595      1.00000
      5     -21.0051      1.00000
      6     -20.9690      1.00000
      7     -20.4534      1.00000
      8     -20.4152      1.00000
      9     -20.2622      1.00000
     10     -20.2323      1.00000
     11     -19.9012      1.00000
     12     -19.8631      1.00000
     13     -18.8283      1.00000
     14     -18.7844      1.00000
     15     -18.3130      1.00000
     16     -18.2625      1.00000
     17     -18.1221      1.00000
     18     -18.0924      1.00000
     19     -17.7864      1.00000
     20     -17.7474      1.00000
     21     -17.2269      1.00000
     22     -17.1936      1.00000
     23     -17.1338      1.00000
     24     -17.0937      1.00000
     25     -16.0593      1.00000
     26     -15.8591      1.00000
     27     -15.8230      1.00000
     28     -15.7890      1.00000
     29     -15.2101      1.00000
     30     -14.5301      1.00000
     31     -14.4848      1.00000
     32     -14.2542      1.00000
     33     -13.9314      1.00000
     34     -13.9193      1.00000
     35     -13.7931      1.00000
     36     -13.7629      1.00000
     37     -13.5827      1.00000
     38     -13.5346      1.00000
     39     -13.3241      1.00000
     40     -12.5858      1.00000
     41     -12.1755      1.00000
     42     -12.1014      1.00000
     43     -12.0349      1.00000
     44     -11.9901      1.00000
     45     -11.6580      1.00000
     46     -11.6230      1.00000
     47     -11.1378      1.00000
     48     -11.0834      1.00000
     49     -10.7806      1.00000
     50     -10.7036      1.00000
     51     -10.4054      1.00000
     52     -10.1959      1.00000
     53     -10.1676      1.00000
     54     -10.1277      1.00000
     55      -9.9947      1.00000
     56      -9.9834      1.00000
     57      -9.9416      1.00000
     58      -9.7938      1.00000
     59      -9.7746      1.00000
     60      -9.7412      1.00000
     61      -9.7222      1.00000
     62      -9.4368      1.00000
     63      -9.3356      1.00000
     64      -9.0893      1.00000
     65      -9.0479      1.00000
     66      -9.0022      1.00000
     67      -8.8913      1.00000
     68      -8.8265      1.00000
     69      -8.7088      1.00000
     70      -8.6678      1.00000
     71      -8.5664      1.00000
     72      -8.5065      1.00000
     73      -8.4714      1.00000
     74      -8.4395      1.00000
     75      -8.3320      1.00000
     76      -8.1987      1.00000
     77      -8.0672      1.00000
     78      -7.9814      1.00000
     79      -7.9059      1.00000
     80      -7.8818      1.00000
     81      -7.6957      1.00000
     82      -7.5615      1.00000
     83      -7.4931      1.00000
     84      -6.9801      1.00000
     85      -6.9113      1.00000
     86      -6.8613      1.00000
     87      -6.7415      1.00000
     88      -6.5193      1.00000
     89      -6.4676      1.00000
     90      -6.3797      1.00000
     91      -6.1924      1.00000
     92      -5.9307      1.00000
     93      -5.7964      1.00000
     94      -5.7511      1.00000
     95      -5.5570      1.00000
     96      -5.3771      1.00000
     97      -5.2442      1.00000
     98      -5.1962      1.00000
     99      -5.1827      1.00000
    100      -5.1235      1.00000
    101      -4.8095      1.00000
    102      -4.5392      1.00000
    103      -4.4572      1.00000
    104      -4.2457      1.00000
    105      -3.5546      1.00000
    106      -3.2907      1.00000
    107      -2.9397      0.00000
    108      -2.3444      0.00000
    109      -1.1843      0.00000
    110      -1.1647      0.00000
    111      -1.1135      0.00000
    112      -1.0608      0.00000
    113      -0.5042      0.00000
    114      -0.4571      0.00000
    115      -0.2968      0.00000
    116      -0.2733      0.00000
    117      -0.0009      0.00000
    118       0.0342      0.00000
    119       0.5318      0.00000
    120       0.6424      0.00000
    121       0.8807      0.00000
    122       0.9769      0.00000
    123       1.1877      0.00000
    124       1.5300      0.00000
    125       1.7566      0.00000
    126       1.7748      0.00000
    127       2.0083      0.00000
    128       2.1094      0.00000
    129       2.1304      0.00000
    130       2.1449      0.00000
    131       2.2590      0.00000
    132       2.3058      0.00000
    133       2.3554      0.00000
    134       2.4594      0.00000
    135       2.6668      0.00000
    136       2.7556      0.00000
    137       2.7959      0.00000
    138       2.8779      0.00000
    139       2.9561      0.00000
    140       2.9933      0.00000
    141       3.0511      0.00000
    142       3.1069      0.00000
    143       3.1625      0.00000
    144       3.2318      0.00000
    145       3.2613      0.00000
    146       3.2941      0.00000
    147       3.3253      0.00000
    148       3.3487      0.00000
    149       3.3927      0.00000
    150       3.5305      0.00000
    151       3.6043      0.00000
    152       3.6655      0.00000
    153       3.6899      0.00000
    154       3.7062      0.00000
    155       3.7266      0.00000
    156       3.7878      0.00000
    157       3.9567      0.00000
    158       4.0543      0.00000
    159       4.1263      0.00000
    160       4.2574      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2603      1.00000
      2     -21.9021      1.00000
      3     -21.8637      1.00000
      4     -21.3396      1.00000
      5     -21.3037      1.00000
      6     -20.7836      1.00000
      7     -20.7451      1.00000
      8     -20.5791      1.00000
      9     -20.0488      1.00000
     10     -20.0132      1.00000
     11     -19.6817      1.00000
     12     -19.6467      1.00000
     13     -18.9695      1.00000
     14     -18.9318      1.00000
     15     -18.6138      1.00000
     16     -18.5768      1.00000
     17     -18.4180      1.00000
     18     -17.6335      1.00000
     19     -17.5871      1.00000
     20     -17.5671      1.00000
     21     -17.5493      1.00000
     22     -17.0994      1.00000
     23     -17.0567      1.00000
     24     -16.9396      1.00000
     25     -15.9828      1.00000
     26     -15.8716      1.00000
     27     -15.5674      1.00000
     28     -15.5294      1.00000
     29     -15.2326      1.00000
     30     -14.8498      1.00000
     31     -14.7929      1.00000
     32     -14.5381      1.00000
     33     -14.5006      1.00000
     34     -14.1305      1.00000
     35     -14.1183      1.00000
     36     -13.1569      1.00000
     37     -13.0499      1.00000
     38     -12.9958      1.00000
     39     -12.9768      1.00000
     40     -12.6994      1.00000
     41     -12.6547      1.00000
     42     -12.2975      1.00000
     43     -12.2817      1.00000
     44     -11.6214      1.00000
     45     -11.5880      1.00000
     46     -11.5275      1.00000
     47     -10.9234      1.00000
     48     -10.8993      1.00000
     49     -10.7129      1.00000
     50     -10.5657      1.00000
     51     -10.5353      1.00000
     52     -10.4689      1.00000
     53     -10.4260      1.00000
     54     -10.3667      1.00000
     55     -10.3144      1.00000
     56     -10.0350      1.00000
     57      -9.8710      1.00000
     58      -9.6012      1.00000
     59      -9.5213      1.00000
     60      -9.4543      1.00000
     61      -9.4085      1.00000
     62      -9.3710      1.00000
     63      -9.3408      1.00000
     64      -9.2975      1.00000
     65      -9.2467      1.00000
     66      -9.1361      1.00000
     67      -9.0903      1.00000
     68      -9.0729      1.00000
     69      -8.8514      1.00000
     70      -8.8358      1.00000
     71      -8.7034      1.00000
     72      -8.5605      1.00000
     73      -8.4383      1.00000
     74      -8.1969      1.00000
     75      -8.1735      1.00000
     76      -8.0383      1.00000
     77      -7.8670      1.00000
     78      -7.8031      1.00000
     79      -7.7694      1.00000
     80      -7.7188      1.00000
     81      -7.6779      1.00000
     82      -7.6425      1.00000
     83      -7.4471      1.00000
     84      -7.3087      1.00000
     85      -6.9185      1.00000
     86      -6.8919      1.00000
     87      -6.7753      1.00000
     88      -6.5580      1.00000
     89      -6.3878      1.00000
     90      -6.3240      1.00000
     91      -6.2784      1.00000
     92      -6.1711      1.00000
     93      -6.0683      1.00000
     94      -5.7831      1.00000
     95      -5.5326      1.00000
     96      -5.3567      1.00000
     97      -5.2051      1.00000
     98      -5.1781      1.00000
     99      -5.0305      1.00000
    100      -4.8139      1.00000
    101      -4.6700      1.00000
    102      -4.4930      1.00000
    103      -4.4310      1.00000
    104      -4.2369      1.00000
    105      -3.6328      1.00000
    106      -3.5460      1.00000
    107      -2.8462      0.00000
    108      -2.1362      0.00000
    109      -1.2472      0.00000
    110      -1.1891      0.00000
    111      -1.1790      0.00000
    112      -0.8847      0.00000
    113      -0.8686      0.00000
    114      -0.7861      0.00000
    115      -0.7538      0.00000
    116       0.1419      0.00000
    117       0.2430      0.00000
    118       0.3161      0.00000
    119       0.7176      0.00000
    120       0.8570      0.00000
    121       0.9365      0.00000
    122       1.1643      0.00000
    123       1.2579      0.00000
    124       1.5185      0.00000
    125       1.5712      0.00000
    126       1.7987      0.00000
    127       1.8826      0.00000
    128       1.8848      0.00000
    129       1.9606      0.00000
    130       2.0457      0.00000
    131       2.2186      0.00000
    132       2.3325      0.00000
    133       2.4216      0.00000
    134       2.4364      0.00000
    135       2.5773      0.00000
    136       2.6066      0.00000
    137       2.6649      0.00000
    138       2.7144      0.00000
    139       2.7491      0.00000
    140       2.8881      0.00000
    141       3.0357      0.00000
    142       3.1337      0.00000
    143       3.1944      0.00000
    144       3.2164      0.00000
    145       3.2372      0.00000
    146       3.2774      0.00000
    147       3.3200      0.00000
    148       3.4408      0.00000
    149       3.5348      0.00000
    150       3.6046      0.00000
    151       3.6943      0.00000
    152       3.7031      0.00000
    153       3.8529      0.00000
    154       3.9012      0.00000
    155       3.9268      0.00000
    156       3.9562      0.00000
    157       4.0051      0.00000
    158       4.0101      0.00000
    159       4.0615      0.00000
    160       4.1125      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3353      1.00000
      2     -21.7747      1.00000
      3     -21.5942      1.00000
      4     -21.5694      1.00000
      5     -21.2248      1.00000
      6     -21.1954      1.00000
      7     -21.0194      1.00000
      8     -20.1201      1.00000
      9     -20.0882      1.00000
     10     -19.5785      1.00000
     11     -19.5442      1.00000
     12     -19.3729      1.00000
     13     -19.0617      1.00000
     14     -19.0213      1.00000
     15     -19.0047      1.00000
     16     -18.9868      1.00000
     17     -18.3347      1.00000
     18     -18.3037      1.00000
     19     -17.9733      1.00000
     20     -17.0236      1.00000
     21     -16.9819      1.00000
     22     -16.9263      1.00000
     23     -16.9006      1.00000
     24     -16.4567      1.00000
     25     -16.4218      1.00000
     26     -15.5781      1.00000
     27     -15.5496      1.00000
     28     -15.2047      1.00000
     29     -15.1824      1.00000
     30     -15.1621      1.00000
     31     -15.0827      1.00000
     32     -15.0289      1.00000
     33     -14.6722      1.00000
     34     -14.6455      1.00000
     35     -13.7055      1.00000
     36     -13.6732      1.00000
     37     -13.2059      1.00000
     38     -12.6393      1.00000
     39     -12.5386      1.00000
     40     -12.4260      1.00000
     41     -12.4036      1.00000
     42     -12.0749      1.00000
     43     -12.0537      1.00000
     44     -11.6810      1.00000
     45     -11.6491      1.00000
     46     -11.2885      1.00000
     47     -11.1865      1.00000
     48     -10.9953      1.00000
     49     -10.9635      1.00000
     50     -10.8909      1.00000
     51     -10.8588      1.00000
     52     -10.5629      1.00000
     53     -10.2062      1.00000
     54     -10.1161      1.00000
     55     -10.0579      1.00000
     56      -9.8902      1.00000
     57      -9.6634      1.00000
     58      -9.6627      1.00000
     59      -9.6270      1.00000
     60      -9.6021      1.00000
     61      -9.5347      1.00000
     62      -9.4752      1.00000
     63      -9.3122      1.00000
     64      -9.2637      1.00000
     65      -9.2257      1.00000
     66      -9.1936      1.00000
     67      -9.0943      1.00000
     68      -9.0904      1.00000
     69      -9.0690      1.00000
     70      -8.9033      1.00000
     71      -8.8428      1.00000
     72      -8.5749      1.00000
     73      -8.5617      1.00000
     74      -8.1697      1.00000
     75      -8.0110      1.00000
     76      -7.9461      1.00000
     77      -7.8861      1.00000
     78      -7.7783      1.00000
     79      -7.7265      1.00000
     80      -7.7123      1.00000
     81      -7.4028      1.00000
     82      -7.2812      1.00000
     83      -7.2446      1.00000
     84      -7.2195      1.00000
     85      -7.1529      1.00000
     86      -6.9719      1.00000
     87      -6.8569      1.00000
     88      -6.6947      1.00000
     89      -6.6628      1.00000
     90      -6.5856      1.00000
     91      -6.1591      1.00000
     92      -6.0853      1.00000
     93      -6.0746      1.00000
     94      -5.9115      1.00000
     95      -5.8823      1.00000
     96      -5.3761      1.00000
     97      -5.1918      1.00000
     98      -4.8735      1.00000
     99      -4.8563      1.00000
    100      -4.6466      1.00000
    101      -4.5237      1.00000
    102      -4.3906      1.00000
    103      -4.2660      1.00000
    104      -4.0647      1.00000
    105      -4.0403      1.00000
    106      -3.5643      1.00000
    107      -2.8677      0.00000
    108      -1.7050      0.00000
    109      -1.6996      0.00000
    110      -1.3086      0.00000
    111      -1.2609      0.00000
    112      -1.2316      0.00000
    113      -1.2289      0.00000
    114      -0.5656      0.00000
    115      -0.2561      0.00000
    116      -0.1161      0.00000
    117       0.5826      0.00000
    118       0.6715      0.00000
    119       0.8071      0.00000
    120       0.9566      0.00000
    121       1.1403      0.00000
    122       1.2055      0.00000
    123       1.2802      0.00000
    124       1.4488      0.00000
    125       1.6164      0.00000
    126       1.6842      0.00000
    127       1.7688      0.00000
    128       1.7768      0.00000
    129       1.9116      0.00000
    130       1.9365      0.00000
    131       2.1809      0.00000
    132       2.1929      0.00000
    133       2.2293      0.00000
    134       2.4703      0.00000
    135       2.4970      0.00000
    136       2.5853      0.00000
    137       2.6354      0.00000
    138       2.7070      0.00000
    139       2.8085      0.00000
    140       2.8201      0.00000
    141       2.8607      0.00000
    142       2.9477      0.00000
    143       2.9742      0.00000
    144       3.0159      0.00000
    145       3.1355      0.00000
    146       3.3438      0.00000
    147       3.3741      0.00000
    148       3.4158      0.00000
    149       3.5815      0.00000
    150       3.6039      0.00000
    151       3.6341      0.00000
    152       3.6665      0.00000
    153       3.7782      0.00000
    154       3.7937      0.00000
    155       3.9975      0.00000
    156       4.0319      0.00000
    157       4.0443      0.00000
    158       4.1154      0.00000
    159       4.2295      0.00000
    160       4.3437      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1194      1.00000
      2     -22.1017      1.00000
      3     -21.9171      1.00000
      4     -21.3601      1.00000
      5     -20.9930      1.00000
      6     -20.9808      1.00000
      7     -20.4416      1.00000
      8     -20.4275      1.00000
      9     -20.2474      1.00000
     10     -20.2458      1.00000
     11     -19.8902      1.00000
     12     -19.8752      1.00000
     13     -18.8243      1.00000
     14     -18.7967      1.00000
     15     -18.2834      1.00000
     16     -18.2779      1.00000
     17     -18.1135      1.00000
     18     -18.1067      1.00000
     19     -17.7654      1.00000
     20     -17.7615      1.00000
     21     -17.2313      1.00000
     22     -17.2028      1.00000
     23     -17.1140      1.00000
     24     -17.1010      1.00000
     25     -16.0913      1.00000
     26     -15.8338      1.00000
     27     -15.8235      1.00000
     28     -15.8073      1.00000
     29     -15.1829      1.00000
     30     -14.5139      1.00000
     31     -14.5003      1.00000
     32     -14.2284      1.00000
     33     -13.9632      1.00000
     34     -13.9243      1.00000
     35     -13.7898      1.00000
     36     -13.7768      1.00000
     37     -13.5601      1.00000
     38     -13.5410      1.00000
     39     -13.3300      1.00000
     40     -12.6103      1.00000
     41     -12.1310      1.00000
     42     -12.1201      1.00000
     43     -12.0098      1.00000
     44     -11.9916      1.00000
     45     -11.6502      1.00000
     46     -11.6346      1.00000
     47     -11.1413      1.00000
     48     -11.1041      1.00000
     49     -10.7641      1.00000
     50     -10.7050      1.00000
     51     -10.4433      1.00000
     52     -10.1721      1.00000
     53     -10.1646      1.00000
     54     -10.1485      1.00000
     55     -10.0027      1.00000
     56      -9.9626      1.00000
     57      -9.9370      1.00000
     58      -9.8136      1.00000
     59      -9.7636      1.00000
     60      -9.7439      1.00000
     61      -9.7287      1.00000
     62      -9.4365      1.00000
     63      -9.3334      1.00000
     64      -9.0772      1.00000
     65      -9.0392      1.00000
     66      -8.9700      1.00000
     67      -8.9407      1.00000
     68      -8.8021      1.00000
     69      -8.6821      1.00000
     70      -8.6657      1.00000
     71      -8.5505      1.00000
     72      -8.5183      1.00000
     73      -8.4443      1.00000
     74      -8.4381      1.00000
     75      -8.3004      1.00000
     76      -8.2316      1.00000
     77      -8.1077      1.00000
     78      -8.0488      1.00000
     79      -8.0246      1.00000
     80      -7.7873      1.00000
     81      -7.6021      1.00000
     82      -7.5932      1.00000
     83      -7.4633      1.00000
     84      -7.0005      1.00000
     85      -6.9461      1.00000
     86      -6.8605      1.00000
     87      -6.5761      1.00000
     88      -6.5438      1.00000
     89      -6.4593      1.00000
     90      -6.4092      1.00000
     91      -6.3307      1.00000
     92      -5.9853      1.00000
     93      -5.7696      1.00000
     94      -5.7278      1.00000
     95      -5.5590      1.00000
     96      -5.3797      1.00000
     97      -5.2042      1.00000
     98      -5.2005      1.00000
     99      -5.1786      1.00000
    100      -5.1568      1.00000
    101      -4.6497      1.00000
    102      -4.5013      1.00000
    103      -4.4419      1.00000
    104      -4.3847      1.00000
    105      -3.5720      1.00000
    106      -3.4317      1.00000
    107      -2.7347      0.00000
    108      -2.4086      0.00000
    109      -1.1664      0.00000
    110      -1.1557      0.00000
    111      -1.1485      0.00000
    112      -1.0537      0.00000
    113      -0.4886      0.00000
    114      -0.4788      0.00000
    115      -0.3246      0.00000
    116      -0.2485      0.00000
    117       0.0061      0.00000
    118       0.0090      0.00000
    119       0.5213      0.00000
    120       0.6626      0.00000
    121       0.8179      0.00000
    122       1.0046      0.00000
    123       1.2410      0.00000
    124       1.4960      0.00000
    125       1.7608      0.00000
    126       1.9548      0.00000
    127       1.9582      0.00000
    128       2.0277      0.00000
    129       2.0870      0.00000
    130       2.1802      0.00000
    131       2.2865      0.00000
    132       2.2928      0.00000
    133       2.3557      0.00000
    134       2.5586      0.00000
    135       2.6358      0.00000
    136       2.6816      0.00000
    137       2.8506      0.00000
    138       2.8901      0.00000
    139       2.9633      0.00000
    140       2.9719      0.00000
    141       3.1258      0.00000
    142       3.1413      0.00000
    143       3.1456      0.00000
    144       3.1816      0.00000
    145       3.2436      0.00000
    146       3.2460      0.00000
    147       3.3352      0.00000
    148       3.3568      0.00000
    149       3.4005      0.00000
    150       3.4117      0.00000
    151       3.5101      0.00000
    152       3.6273      0.00000
    153       3.6854      0.00000
    154       3.6975      0.00000
    155       3.8358      0.00000
    156       3.9090      0.00000
    157       3.9656      0.00000
    158       3.9901      0.00000
    159       4.1123      0.00000
    160       4.2002      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2227      1.00000
      2     -22.0346      1.00000
      3     -21.6700      1.00000
      4     -21.6441      1.00000
      5     -20.9290      1.00000
      6     -20.8985      1.00000
      7     -20.5592      1.00000
      8     -20.5388      1.00000
      9     -20.5284      1.00000
     10     -19.9916      1.00000
     11     -19.4686      1.00000
     12     -19.4356      1.00000
     13     -19.2825      1.00000
     14     -19.2553      1.00000
     15     -18.3997      1.00000
     16     -18.3678      1.00000
     17     -17.8986      1.00000
     18     -17.8663      1.00000
     19     -17.7148      1.00000
     20     -17.6806      1.00000
     21     -17.4136      1.00000
     22     -17.3828      1.00000
     23     -17.2936      1.00000
     24     -16.4562      1.00000
     25     -16.4170      1.00000
     26     -15.9356      1.00000
     27     -15.3813      1.00000
     28     -15.3534      1.00000
     29     -15.0698      1.00000
     30     -15.0401      1.00000
     31     -14.8101      1.00000
     32     -14.7886      1.00000
     33     -14.2853      1.00000
     34     -14.2139      1.00000
     35     -13.4423      1.00000
     36     -13.3597      1.00000
     37     -13.1539      1.00000
     38     -13.1223      1.00000
     39     -12.9608      1.00000
     40     -12.9304      1.00000
     41     -12.5877      1.00000
     42     -12.5605      1.00000
     43     -12.1717      1.00000
     44     -11.5384      1.00000
     45     -11.5025      1.00000
     46     -11.2766      1.00000
     47     -11.2481      1.00000
     48     -11.1288      1.00000
     49     -10.7681      1.00000
     50     -10.6279      1.00000
     51     -10.4505      1.00000
     52     -10.2806      1.00000
     53     -10.2735      1.00000
     54     -10.1671      1.00000
     55     -10.0910      1.00000
     56     -10.0573      1.00000
     57      -9.8056      1.00000
     58      -9.7031      1.00000
     59      -9.6894      1.00000
     60      -9.6823      1.00000
     61      -9.6700      1.00000
     62      -9.6049      1.00000
     63      -9.3430      1.00000
     64      -9.3158      1.00000
     65      -9.2914      1.00000
     66      -8.9688      1.00000
     67      -8.9284      1.00000
     68      -8.8788      1.00000
     69      -8.7478      1.00000
     70      -8.5642      1.00000
     71      -8.4836      1.00000
     72      -8.4003      1.00000
     73      -8.3616      1.00000
     74      -8.2849      1.00000
     75      -8.2390      1.00000
     76      -8.2264      1.00000
     77      -8.2117      1.00000
     78      -8.1966      1.00000
     79      -7.9936      1.00000
     80      -7.7796      1.00000
     81      -7.4123      1.00000
     82      -7.3163      1.00000
     83      -7.2371      1.00000
     84      -7.1401      1.00000
     85      -7.0960      1.00000
     86      -6.9568      1.00000
     87      -6.9094      1.00000
     88      -6.5888      1.00000
     89      -6.5542      1.00000
     90      -6.4338      1.00000
     91      -6.2514      1.00000
     92      -5.9033      1.00000
     93      -5.8226      1.00000
     94      -5.6753      1.00000
     95      -5.5842      1.00000
     96      -5.2946      1.00000
     97      -5.2598      1.00000
     98      -5.1850      1.00000
     99      -5.1842      1.00000
    100      -5.1608      1.00000
    101      -4.5220      1.00000
    102      -4.4553      1.00000
    103      -4.3976      1.00000
    104      -4.0768      1.00000
    105      -3.9287      1.00000
    106      -3.5175      1.00000
    107      -2.8172      0.00000
    108      -1.8055      0.00000
    109      -1.7936      0.00000
    110      -1.0764      0.00000
    111      -1.0118      0.00000
    112      -0.9281      0.00000
    113      -0.6563      0.00000
    114      -0.6055      0.00000
    115      -0.5695      0.00000
    116      -0.5296      0.00000
    117       0.1598      0.00000
    118       0.2634      0.00000
    119       0.7081      0.00000
    120       0.9733      0.00000
    121       1.0933      0.00000
    122       1.2552      0.00000
    123       1.4217      0.00000
    124       1.5321      0.00000
    125       1.5990      0.00000
    126       1.6235      0.00000
    127       1.6476      0.00000
    128       1.8425      0.00000
    129       1.9333      0.00000
    130       2.1085      0.00000
    131       2.2021      0.00000
    132       2.3372      0.00000
    133       2.3732      0.00000
    134       2.4703      0.00000
    135       2.6009      0.00000
    136       2.6603      0.00000
    137       2.7306      0.00000
    138       2.7418      0.00000
    139       2.8463      0.00000
    140       2.9526      0.00000
    141       3.0479      0.00000
    142       3.0706      0.00000
    143       3.1895      0.00000
    144       3.2845      0.00000
    145       3.3325      0.00000
    146       3.3390      0.00000
    147       3.4670      0.00000
    148       3.5267      0.00000
    149       3.5616      0.00000
    150       3.6005      0.00000
    151       3.6150      0.00000
    152       3.6890      0.00000
    153       3.7309      0.00000
    154       3.7661      0.00000
    155       3.7735      0.00000
    156       3.8458      0.00000
    157       3.9251      0.00000
    158       4.0027      0.00000
    159       4.0307      0.00000
    160       4.2759      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0448   -6.8619    2.8580   -0.4769   -0.0178   17.1400    0.0965   -0.0740    0.1199   -0.2128
x    -3.1504   -0.0332   -0.0583    0.0255    0.0327   -3.0237    0.0209   -0.0019   -0.0001    0.0000
x    -0.0930   -0.0010    0.0019   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    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   -0.0034    0.0000    0.0010    0.0005    0.0034   -0.0987   -0.0407    0.0688    0.0117
y     0.0421   -3.2492   -0.0992    0.2012   -2.4459   -0.6653
z   204.0448    1.9911    0.0140   -0.0665    0.0187    0.0778   -0.0027   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0615    0.0082    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8232
z    -0.5087    0.0404    0.0742    0.1438   -0.0981   -0.0018
 total charge-density along one line
x   212.0000   -9.6892    4.7925   -1.2799   -0.2532   19.0800   -1.1268    1.0525   -0.6835    0.2213
x    -2.7485   -0.0175   -0.0409    0.0179    0.0337   -2.3070    0.0201    0.0018   -0.0030   -0.0008
x    -0.0820    0.0013   -0.0021    0.0004    0.0009   -0.0371    0.0003    0.0004   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6892    4.7925   -1.2799   -0.2532   19.0800   -1.1268    1.0525   -0.6835    0.2213
y    -2.7485   -0.0175   -0.0409    0.0179    0.0337   -2.3070    0.0201    0.0018   -0.0030   -0.0008
y    -0.0820    0.0013   -0.0021    0.0004    0.0009   -0.0371    0.0003    0.0004   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6776  189.4282 -169.4370  151.1883 -136.5242  123.8092 -110.3361   94.7317  -77.7635
z    61.4915  -47.7965   37.3974  -29.8118   23.9939  -19.0546   14.6186  -10.7445    7.6227   -5.3207
z     3.7167   -2.5879    1.7355   -1.0523    0.5108   -0.1139   -0.1450    0.2914   -0.3585    0.3750
z    -0.3625    0.3372   -0.3112    0.2904   -0.2726    0.2507   -0.2191    0.1788   -0.1370    0.1024
z    -0.0796    0.0672   -0.0596    0.0518   -0.0422    0.0320   -0.0237    0.0185   -0.0157    0.0142
z    -0.0126    0.0108   -0.0088    0.0069   -0.0052    0.0039   -0.0029    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.701   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.195   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.267   0.000   0.297   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.069   0.037   0.000  -0.053   0.000   0.000
  0.279   0.000  -0.267   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.109   0.321  -0.102   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.297   0.000   0.182  -0.122   0.000   0.428   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.170   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.195   0.000   0.158   0.000   0.063  -0.109   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.069   0.321   0.000   0.148   0.000  -0.178   1.140  -0.353   0.000  -0.139   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.102   0.000  -0.138   0.000   0.061  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.174  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.139   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.174   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.007   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.783
  2        0.542   0.016   0.000   0.557
  3        0.542   0.016   0.000   0.557
  4        0.864   1.780   0.000   2.644
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.784   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.776   0.000   2.640
 17        0.849   1.733   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.768   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.863   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.768   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.784   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.733   0.000   2.581
 42        0.865   1.776   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.782   0.000   2.645
 49        0.864   1.780   0.000   2.644
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.792  89.408   7.854 142.054
 


 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   90.59: CPU time   46.06
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  363.80: CPU time  182.23
    STRESS:  VPU time 1093.56: CPU time  549.32
    FORCOR:  VPU time    7.43: CPU time    7.44
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force = 0.1982674E-05[ 0.162E-05, 0.235E-05]  d Energy = 0.4151410E-05-0.217E-05
 d Force = 0.1171297E-03[ 0.116E-03, 0.118E-03]  d Ewald  =-0.1720189E-01 0.173E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648577 eV

  energy  without entropy=     -469.648577  energy(sigma->0) =     -469.648577
 

  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    40937.72  40984.03 -47644.08     40.11      0.00      0.00
  Hartree  40396.28  40421.14 -39644.84     21.53      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.31      0.00      0.00
  Local   -83624.91 -83693.39  84601.57    -59.31      0.00      0.00
  n-local   -214.77   -206.81   -206.59      6.00      0.00      0.00
  augment     21.82     19.28     20.59     -2.20      0.00      0.00
  Kinetic   3165.73   3163.41   3585.98     -8.45      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.29     -0.48     -0.42     -0.17      0.00      0.00
  in kB       -0.17     -0.29     -0.26     -0.10      0.00      0.00
  external pressure =       -0.24 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.341182190 -0.000282888  0.000000000     0.081030587  0.046785576  0.000000000
    -6.170842722 10.687631676  0.000000000     0.000002145  0.093567337  0.000000000
     0.000000000  0.000000000 20.001035151     0.000000000  0.000000000  0.049997412

  length of vectors
    12.341182193 12.341181902 20.001035151     0.093567335  0.093567337  0.049997412


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.790E-05 -.315E-04 -.110E+04   0.446E-05 -.262E-04 0.110E+04   0.323E-24 0.162E-24 0.368E+01   -.231E-07 0.124E-07 -.214E-03
   -.267E+02 -.463E+02 -.108E+03   0.279E+02 0.482E+02 0.108E+03   -.111E+01 -.192E+01 -.198E+00   0.135E-03 0.232E-03 0.235E-04
   0.267E+02 0.463E+02 -.108E+03   -.279E+02 -.482E+02 0.108E+03   0.111E+01 0.192E+01 -.198E+00   -.135E-03 -.232E-03 0.235E-04
   -.204E+01 0.118E+01 0.308E+02   0.199E+01 -.115E+01 -.308E+02   0.527E-01 -.304E-01 0.545E-02   0.735E-04 -.452E-04 -.732E-04
   0.661E+01 0.655E+01 0.343E+02   -.658E+01 -.654E+01 -.343E+02   -.307E-01 -.137E-01 -.421E-01   -.116E-03 -.901E-04 -.685E-04
   0.118E+02 0.585E+01 0.251E+02   -.117E+02 -.587E+01 -.250E+02   -.512E-01 0.186E-01 -.117E+00   -.754E-04 0.204E-04 -.134E-03
   0.431E+01 -.110E+01 0.210E+02   -.430E+01 0.110E+01 -.210E+02   0.289E-02 -.792E-02 0.184E-01   0.370E-04 -.406E-05 -.178E-03
   -.283E+01 -.259E+01 0.220E+02   0.284E+01 0.257E+01 -.220E+02   -.823E-03 0.146E-01 0.186E-01   0.370E-04 -.201E-04 -.122E-03
   0.830E+00 0.374E+01 0.220E+02   -.809E+00 -.374E+01 -.220E+02   -.131E-01 -.661E-02 0.186E-01   0.311E-04 -.276E-04 -.127E-03
   0.292E+01 0.187E+02 0.368E+02   -.295E+01 -.187E+02 -.368E+02   0.353E-01 -.265E-01 -.241E-01   0.705E-04 -.170E-03 -.107E-03
   0.205E+02 0.223E+02 0.461E+02   -.205E+02 -.224E+02 -.458E+02   0.563E-02 0.114E+00 -.326E+00   -.982E-04 -.120E-03 -.173E-03
   0.274E+02 -.584E+01 0.228E+02   -.275E+02 0.590E+01 -.228E+02   0.918E-01 -.602E-01 0.360E-02   -.296E-03 -.134E-03 -.306E-03
   0.974E+01 -.562E+01 0.157E+02   -.968E+01 0.559E+01 -.158E+02   -.539E-01 0.311E-01 0.492E-01   -.164E-03 0.891E-04 -.213E-03
   0.311E+01 -.318E+01 0.210E+02   -.311E+01 0.318E+01 -.210E+02   0.831E-02 0.146E-02 0.184E-01   0.201E-04 -.339E-04 -.191E-03
   -.693E+01 0.128E+02 0.240E+02   0.691E+01 -.128E+02 -.240E+02   0.266E-01 -.273E-02 0.176E-01   0.201E-04 -.141E-03 -.207E-03
   -.134E+02 0.311E+02 0.323E+02   0.133E+02 -.315E+02 -.325E+02   0.112E+00 0.431E+00 0.284E+00   -.254E-04 -.390E-03 -.396E-03
   0.342E+02 -.197E+02 0.941E+01   -.353E+02 0.204E+02 -.117E+02   0.114E+01 -.658E+00 0.232E+01   -.132E-03 0.731E-04 -.556E-03
   0.188E+02 -.208E+02 0.228E+02   -.189E+02 0.209E+02 -.228E+02   0.980E-01 -.494E-01 0.360E-02   -.339E-04 0.316E-03 -.313E-03
   0.817E+00 -.131E+02 0.251E+02   -.770E+00 0.131E+02 -.250E+02   -.417E-01 0.350E-01 -.117E+00   -.529E-04 0.537E-04 -.142E-03
   -.401E+01 0.990E+00 0.173E+02   0.402E+01 -.101E+01 -.173E+02   -.266E-02 0.185E-01 -.855E-01   0.629E-04 0.336E-04 -.171E-03
   -.182E+02 0.105E+02 0.128E+02   0.182E+02 -.105E+02 -.126E+02   0.701E-02 -.405E-02 -.249E+00   0.268E-03 -.152E-03 -.303E-03
   -.336E+02 -.390E+01 0.323E+02   0.340E+02 0.420E+01 -.325E+02   -.317E+00 -.313E+00 0.284E+00   0.328E-03 0.217E-03 -.391E-03
   -.909E+01 -.289E+02 0.461E+02   0.919E+01 0.289E+02 -.458E+02   -.963E-01 -.621E-01 -.326E+00   0.577E-04 0.141E-03 -.176E-03
   -.237E+01 -.900E+01 0.343E+02   0.238E+01 0.897E+01 -.343E+02   -.349E-02 0.334E-01 -.421E-01   0.214E-04 0.144E-03 -.696E-04
   0.120E+01 -.695E+00 0.239E+02   -.118E+01 0.683E+00 -.238E+02   -.131E-01 0.756E-02 -.608E-01   0.581E-04 -.319E-04 -.105E-03
   -.286E+01 0.298E+01 0.173E+02   0.288E+01 -.298E+01 -.173E+02   -.173E-01 -.693E-02 -.855E-01   0.385E-05 -.675E-04 -.164E-03
   -.146E+02 -.401E+00 0.240E+02   0.145E+02 0.415E+00 -.240E+02   0.157E-01 -.217E-01 0.176E-01   0.134E-03 0.519E-04 -.196E-03
   -.147E+02 -.119E+02 0.368E+02   0.147E+02 0.119E+02 -.368E+02   0.406E-01 -.173E-01 -.241E-01   0.184E-03 0.193E-04 -.102E-03
   0.237E+01 0.900E+01 0.343E+02   -.238E+01 -.897E+01 -.343E+02   0.349E-02 -.334E-01 -.421E-01   -.214E-04 -.144E-03 -.696E-04
   0.147E+02 0.119E+02 0.368E+02   -.147E+02 -.119E+02 -.368E+02   -.406E-01 0.173E-01 -.241E-01   -.184E-03 -.193E-04 -.102E-03
   0.146E+02 0.401E+00 0.240E+02   -.145E+02 -.416E+00 -.240E+02   -.157E-01 0.217E-01 0.176E-01   -.134E-03 -.519E-04 -.196E-03
   0.286E+01 -.298E+01 0.173E+02   -.288E+01 0.298E+01 -.173E+02   0.173E-01 0.693E-02 -.855E-01   -.387E-05 0.675E-04 -.164E-03
   -.120E+01 0.695E+00 0.239E+02   0.118E+01 -.682E+00 -.238E+02   0.131E-01 -.756E-02 -.608E-01   -.581E-04 0.319E-04 -.105E-03
   -.817E+00 0.131E+02 0.251E+02   0.769E+00 -.131E+02 -.250E+02   0.417E-01 -.350E-01 -.117E+00   0.529E-04 -.537E-04 -.142E-03
   0.908E+01 0.289E+02 0.461E+02   -.919E+01 -.289E+02 -.458E+02   0.963E-01 0.621E-01 -.326E+00   -.577E-04 -.141E-03 -.176E-03
   0.336E+02 0.390E+01 0.323E+02   -.340E+02 -.421E+01 -.325E+02   0.317E+00 0.313E+00 0.284E+00   -.328E-03 -.217E-03 -.391E-03
   0.182E+02 -.105E+02 0.128E+02   -.182E+02 0.105E+02 -.126E+02   -.701E-02 0.405E-02 -.249E+00   -.268E-03 0.152E-03 -.303E-03
   0.401E+01 -.990E+00 0.173E+02   -.402E+01 0.101E+01 -.173E+02   0.266E-02 -.185E-01 -.855E-01   -.629E-04 -.336E-04 -.171E-03
   -.311E+01 0.318E+01 0.210E+02   0.311E+01 -.318E+01 -.210E+02   -.831E-02 -.146E-02 0.184E-01   -.201E-04 0.339E-04 -.191E-03
   -.188E+02 0.208E+02 0.228E+02   0.189E+02 -.209E+02 -.228E+02   -.980E-01 0.494E-01 0.360E-02   0.339E-04 -.316E-03 -.313E-03
   -.342E+02 0.197E+02 0.941E+01   0.353E+02 -.204E+02 -.117E+02   -.114E+01 0.658E+00 0.232E+01   0.132E-03 -.731E-04 -.556E-03
   0.134E+02 -.311E+02 0.323E+02   -.133E+02 0.315E+02 -.325E+02   -.112E+00 -.431E+00 0.284E+00   0.255E-04 0.390E-03 -.396E-03
   0.693E+01 -.128E+02 0.240E+02   -.691E+01 0.128E+02 -.240E+02   -.266E-01 0.273E-02 0.176E-01   -.201E-04 0.141E-03 -.207E-03
   -.830E+00 -.374E+01 0.220E+02   0.809E+00 0.374E+01 -.220E+02   0.131E-01 0.661E-02 0.186E-01   -.311E-04 0.276E-04 -.127E-03
   -.974E+01 0.562E+01 0.157E+02   0.968E+01 -.559E+01 -.158E+02   0.539E-01 -.311E-01 0.492E-01   0.164E-03 -.891E-04 -.213E-03
   -.274E+02 0.584E+01 0.228E+02   0.275E+02 -.590E+01 -.228E+02   -.918E-01 0.602E-01 0.360E-02   0.296E-03 0.134E-03 -.306E-03
   -.205E+02 -.223E+02 0.461E+02   0.205E+02 0.224E+02 -.458E+02   -.563E-02 -.114E+00 -.326E+00   0.982E-04 0.120E-03 -.173E-03
   -.292E+01 -.187E+02 0.368E+02   0.295E+01 0.187E+02 -.368E+02   -.353E-01 0.265E-01 -.241E-01   -.705E-04 0.170E-03 -.107E-03
   0.204E+01 -.118E+01 0.308E+02   -.199E+01 0.115E+01 -.308E+02   -.527E-01 0.304E-01 0.545E-02   -.735E-04 0.452E-04 -.732E-04
   0.283E+01 0.259E+01 0.220E+02   -.284E+01 -.257E+01 -.220E+02   0.823E-03 -.146E-01 0.186E-01   -.371E-04 0.201E-04 -.122E-03
   -.431E+01 0.110E+01 0.210E+02   0.430E+01 -.110E+01 -.210E+02   -.289E-02 0.792E-02 0.184E-01   -.370E-04 0.407E-05 -.178E-03
   -.118E+02 -.585E+01 0.251E+02   0.117E+02 0.587E+01 -.250E+02   0.512E-01 -.186E-01 -.117E+00   0.754E-04 -.204E-04 -.134E-03
   -.661E+01 -.655E+01 0.343E+02   0.658E+01 0.654E+01 -.343E+02   0.307E-01 0.137E-01 -.421E-01   0.116E-03 0.901E-04 -.685E-04
 -----------------------------------------------------------------------------------------------
   -.185E-02 0.343E-03 -.637E+01   0.103E-12 -.320E-13 -.110E-11   -.274E-15 -.175E-15 0.641E+01   -.324E-07 0.199E-07 -.101E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85103      6.05620     12.41254         0.000000      0.000000     -0.000181
      2.67859      7.48957     12.52567        -0.001561     -0.002703     -0.015605
      1.02348      4.62284     12.52567         0.001561      0.002703     -0.015605
     12.34072     -0.00001      9.88032         0.003389     -0.001957     -0.000101
     -1.23312      2.13851      9.88562         0.005244     -0.003361      0.000265
     -2.46871      4.27607      9.93421         0.006600     -0.002496     -0.000191
      8.63806      6.41224      9.94351         0.007599     -0.006069      0.001122
     -4.93511      8.54970      9.92007         0.006375     -0.005845     -0.002973
     -3.70148     10.68642      9.92007         0.008250     -0.002598     -0.002973
      1.23529      2.14054      9.92589         0.005962     -0.007117     -0.001754
     -0.00338      4.27885     10.00863         0.004731     -0.003308      0.003699
     -1.23799      6.41047     10.03632         0.001561     -0.002271     -0.001654
     -2.46562      8.54842      9.96855         0.007413     -0.004280      0.000965
      4.93622      0.00045      9.94351         0.009055     -0.003546      0.001122
      3.70224      2.13419      9.96250         0.009118     -0.001071     -0.001451
      2.47205      4.25425     10.12933         0.010930     -0.013962      0.013947
      1.21456      6.42367     10.35725        -0.001269      0.000733      0.004996
     -0.00029      8.55423     10.03632         0.002748     -0.000216     -0.001654
      1.23280     10.68728      9.93421         0.005461     -0.004468     -0.000191
      6.17016      2.13667      9.94452         0.005381     -0.000767     -0.005051
      4.93890      4.27343     10.02899         0.005609     -0.003238     -0.003380
      3.72207      6.41937     10.12933         0.017556     -0.002485      0.013947
      2.46305      8.55085     10.00863         0.005230     -0.002443      0.003699
      3.70178     10.68600      9.88562         0.005533     -0.002861      0.000265
      8.63816      2.13766      9.90268         0.007889     -0.004555      0.001296
      7.40501      4.27550      9.94452         0.003355     -0.004277     -0.005051
      6.17320      6.41402      9.96250         0.005486     -0.007361     -0.001451
      4.93422      8.54729      9.92589         0.009144     -0.001605     -0.001754
      0.00029      1.42640      9.88562        -0.005533      0.002861      0.000265
     -1.23216      3.56512      9.92589        -0.009144      0.001605     -0.001754
     -2.47113      5.69839      9.96250        -0.005486      0.007361     -0.001451
     -3.70294      7.83691      9.94452        -0.003355      0.004277     -0.005051
     -4.93609      9.97475      9.90268        -0.007889      0.004555      0.001296
      2.46927      1.42513      9.93421        -0.005461      0.004468     -0.000191
      1.23902      3.56156     10.00863        -0.005230      0.002443      0.003699
     -0.02000      5.69304     10.12933        -0.017556      0.002485      0.013947
     -1.23683      7.83898     10.02899        -0.005609      0.003238     -0.003380
     -2.46809      9.97573      9.94452        -0.005381      0.000767     -0.005051
      4.93669      1.42432      9.94351        -0.009055      0.003546      0.001122
      3.70235      3.55817     10.03632        -0.002748      0.000216     -0.001654
      2.48751      5.68873     10.35725         0.001269     -0.000733      0.004996
      1.23002      7.85815     10.12933        -0.010930      0.013962      0.013947
     -0.00017      9.97821      9.96250        -0.009118      0.001071     -0.001451
      7.40355      1.42598      9.92007        -0.008250      0.002598     -0.002973
      6.16769      3.56398      9.96855        -0.007413      0.004280      0.000965
      4.94005      5.70193     10.03632        -0.001561      0.002271     -0.001654
      3.70545      7.83355     10.00863        -0.004731      0.003308      0.003699
      2.46678      9.97187      9.92589        -0.005962      0.007117     -0.001754
      9.87338      1.42450      9.88032        -0.003389      0.001957     -0.000101
      8.63718      3.56270      9.92007        -0.006375      0.005845     -0.002973
      7.40519      5.69988      9.94351        -0.007599      0.006069      0.001122
      6.17078      7.83633      9.93421        -0.006600      0.002496     -0.000191
      4.93519      9.97389      9.88562        -0.005244      0.003361      0.000265
 -----------------------------------------------------------------------------------
    total drift:                               -0.001846      0.000343      0.023588


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




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


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.02: CPU time    0.02
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  151.19: CPU time   76.06
     LOOP+:  VPU time 4339.31: CPU time 2223.90


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


    POTLOK:  VPU time    7.92: CPU time    7.74
    SETDIJ:  VPU time    0.28: CPU time    0.28
    EDDAV :  VPU time 1707.30: CPU time  878.04
 BZINTS: Fermi energy: -3.255217;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.85: CPU time   57.66
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1829.57: CPU time  943.93

 eigenvalue-minimisations  :  6064
 total energy-change (2. order) :-0.4696486E+03  (-0.1658798E-02)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9552269 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.35011E-02    rms(broyden)= 0.34982E-02
  rms(prec ) = 0.37537E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.91353088
  -1/2 Hartree   DENC   =    -41170.90979777
  -V(xc)+E(xc)   XCENC  =       726.34005905
  PAW double counting   =      4067.94159912    -4106.59321469
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.78066684
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64863664 eV

  energy without entropy =     -469.64863664  energy(sigma->0) =     -469.64863664


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




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


    POTLOK:  VPU time    9.02: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1654.85: CPU time  854.07
 BZINTS: Fermi energy: -3.254993;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1664.26: CPU time  863.46

 eigenvalue-minimisations  :  5296
 total energy-change (2. order) : 0.4008509E-05  (-0.2849198E-04)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9552269 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.91353088
  -1/2 Hartree   DENC   =    -41170.88518001
  -V(xc)+E(xc)   XCENC  =       726.33899270
  PAW double counting   =      4067.93486005    -4106.58671208
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.80397777
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64863263 eV

  energy without entropy =     -469.64863263  energy(sigma->0) =     -469.64863263


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




 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 -59.0089       2 -37.4867       3 -37.4867       4 -58.3182       5 -58.2929
       6 -58.3048       7 -58.3029       8 -58.3105       9 -58.3105      10 -58.2858
      11 -58.3229      12 -58.2817      13 -58.3232      14 -58.3029      15 -58.3021
      16 -58.3966      17 -58.9653      18 -58.2817      19 -58.3049      20 -58.3068
      21 -58.2944      22 -58.3966      23 -58.3230      24 -58.2930      25 -58.3270
      26 -58.3068      27 -58.3022      28 -58.2859      29 -58.2928      30 -58.2857
      31 -58.3020      32 -58.3067      33 -58.3269      34 -58.3047      35 -58.3228
      36 -58.3966      37 -58.2943      38 -58.3067      39 -58.3028      40 -58.2816
      41 -58.9652      42 -58.3966      43 -58.3020      44 -58.3104      45 -58.3231
      46 -58.2816      47 -58.3229      48 -58.2858      49 -58.3181      50 -58.3104
      51 -58.3028      52 -58.3048      53 -58.2929
 
 
 
 E-fermi :  -3.2550     XC(G=0):  -2.3567     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     -22.3718      1.00000
      2     -21.5023      1.00000
      3     -21.4316      1.00000
      4     -21.4297      1.00000
      5     -21.4174      1.00000
      6     -21.4074      1.00000
      7     -21.4044      1.00000
      8     -19.6635      1.00000
      9     -19.5974      1.00000
     10     -19.5924      1.00000
     11     -19.5793      1.00000
     12     -19.5678      1.00000
     13     -19.5650      1.00000
     14     -18.7635      1.00000
     15     -18.7042      1.00000
     16     -18.6961      1.00000
     17     -18.6819      1.00000
     18     -18.6733      1.00000
     19     -18.6703      1.00000
     20     -16.6285      1.00000
     21     -16.5487      1.00000
     22     -16.5448      1.00000
     23     -16.5337      1.00000
     24     -16.5262      1.00000
     25     -16.5232      1.00000
     26     -15.6068      1.00000
     27     -15.5635      1.00000
     28     -15.5238      1.00000
     29     -15.5226      1.00000
     30     -15.5175      1.00000
     31     -15.5158      1.00000
     32     -14.2558      1.00000
     33     -14.2208      1.00000
     34     -14.1956      1.00000
     35     -14.1928      1.00000
     36     -14.1734      1.00000
     37     -14.1714      1.00000
     38     -11.9827      1.00000
     39     -11.8706      1.00000
     40     -11.8239      1.00000
     41     -11.8097      1.00000
     42     -11.8085      1.00000
     43     -11.8024      1.00000
     44     -11.7297      1.00000
     45     -11.7193      1.00000
     46     -11.7078      1.00000
     47     -11.6984      1.00000
     48     -11.6852      1.00000
     49     -11.6835      1.00000
     50     -10.6433      1.00000
     51     -10.3745      1.00000
     52     -10.3563      1.00000
     53     -10.3375      1.00000
     54     -10.3277      1.00000
     55     -10.3195      1.00000
     56     -10.2945      1.00000
     57      -9.7899      1.00000
     58      -9.4113      1.00000
     59      -9.3896      1.00000
     60      -9.3526      1.00000
     61      -9.3415      1.00000
     62      -9.3333      1.00000
     63      -9.1757      1.00000
     64      -9.0755      1.00000
     65      -9.0738      1.00000
     66      -9.0647      1.00000
     67      -9.0624      1.00000
     68      -9.0323      1.00000
     69      -9.0254      1.00000
     70      -9.0248      1.00000
     71      -9.0172      1.00000
     72      -9.0059      1.00000
     73      -8.9926      1.00000
     74      -8.9717      1.00000
     75      -7.9891      1.00000
     76      -7.7009      1.00000
     77      -7.5036      1.00000
     78      -7.4851      1.00000
     79      -7.4573      1.00000
     80      -7.4132      1.00000
     81      -7.3982      1.00000
     82      -7.3791      1.00000
     83      -7.3469      1.00000
     84      -7.2231      1.00000
     85      -7.1817      1.00000
     86      -7.1770      1.00000
     87      -7.1737      1.00000
     88      -6.6148      1.00000
     89      -6.5765      1.00000
     90      -6.3650      1.00000
     91      -6.3565      1.00000
     92      -6.3167      1.00000
     93      -6.2940      1.00000
     94      -5.9465      1.00000
     95      -5.8899      1.00000
     96      -5.3607      1.00000
     97      -5.1932      1.00000
     98      -4.8387      1.00000
     99      -4.7157      1.00000
    100      -4.3621      1.00000
    101      -4.3573      1.00000
    102      -4.3464      1.00000
    103      -4.3342      1.00000
    104      -4.1685      1.00000
    105      -3.9333      1.00000
    106      -3.5945      1.00000
    107      -2.9210      0.00000
    108      -1.5547      0.00000
    109      -1.5499      0.00000
    110      -1.5377      0.00000
    111      -1.5354      0.00000
    112      -1.4796      0.00000
    113      -1.4625      0.00000
    114       0.0763      0.00000
    115       0.2357      0.00000
    116       0.2797      0.00000
    117       0.3017      0.00000
    118       0.3077      0.00000
    119       0.3754      0.00000
    120       0.6120      0.00000
    121       1.2675      0.00000
    122       1.3636      0.00000
    123       1.6951      0.00000
    124       1.7547      0.00000
    125       1.7815      0.00000
    126       1.7864      0.00000
    127       1.8496      0.00000
    128       1.8730      0.00000
    129       1.9992      0.00000
    130       2.0058      0.00000
    131       2.0158      0.00000
    132       2.0213      0.00000
    133       2.0233      0.00000
    134       2.0833      0.00000
    135       2.3118      0.00000
    136       2.4597      0.00000
    137       2.5742      0.00000
    138       2.5919      0.00000
    139       2.6259      0.00000
    140       2.7360      0.00000
    141       2.8354      0.00000
    142       3.0279      0.00000
    143       3.0388      0.00000
    144       3.0522      0.00000
    145       3.0681      0.00000
    146       3.0846      0.00000
    147       3.1007      0.00000
    148       3.4401      0.00000
    149       3.5394      0.00000
    150       3.5823      0.00000
    151       3.9033      0.00000
    152       3.9125      0.00000
    153       3.9466      0.00000
    154       3.9481      0.00000
    155       3.9779      0.00000
    156       4.0463      0.00000
    157       4.1583      0.00000
    158       4.2036      0.00000
    159       4.2538      0.00000
    160       4.2575      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3343      1.00000
      2     -21.7716      1.00000
      3     -21.5967      1.00000
      4     -21.5675      1.00000
      5     -21.2216      1.00000
      6     -21.1946      1.00000
      7     -21.0202      1.00000
      8     -20.1186      1.00000
      9     -20.0876      1.00000
     10     -19.5718      1.00000
     11     -19.5453      1.00000
     12     -19.3776      1.00000
     13     -19.0491      1.00000
     14     -19.0193      1.00000
     15     -19.0051      1.00000
     16     -18.9949      1.00000
     17     -18.3277      1.00000
     18     -18.3044      1.00000
     19     -17.9807      1.00000
     20     -17.0339      1.00000
     21     -16.9838      1.00000
     22     -16.9163      1.00000
     23     -16.8998      1.00000
     24     -16.4372      1.00000
     25     -16.4159      1.00000
     26     -15.5899      1.00000
     27     -15.5574      1.00000
     28     -15.2352      1.00000
     29     -15.1949      1.00000
     30     -15.1314      1.00000
     31     -15.0564      1.00000
     32     -15.0298      1.00000
     33     -14.6699      1.00000
     34     -14.6503      1.00000
     35     -13.7065      1.00000
     36     -13.6800      1.00000
     37     -13.2008      1.00000
     38     -12.5964      1.00000
     39     -12.5416      1.00000
     40     -12.4196      1.00000
     41     -12.4022      1.00000
     42     -12.1099      1.00000
     43     -12.0684      1.00000
     44     -11.6970      1.00000
     45     -11.6481      1.00000
     46     -11.2344      1.00000
     47     -11.1895      1.00000
     48     -11.0076      1.00000
     49     -10.9702      1.00000
     50     -10.9099      1.00000
     51     -10.8663      1.00000
     52     -10.5293      1.00000
     53     -10.1284      1.00000
     54     -10.1206      1.00000
     55     -10.0800      1.00000
     56      -9.9180      1.00000
     57      -9.7072      1.00000
     58      -9.6688      1.00000
     59      -9.6121      1.00000
     60      -9.5819      1.00000
     61      -9.5447      1.00000
     62      -9.4791      1.00000
     63      -9.2946      1.00000
     64      -9.2765      1.00000
     65      -9.2299      1.00000
     66      -9.1754      1.00000
     67      -9.1099      1.00000
     68      -9.0750      1.00000
     69      -9.0645      1.00000
     70      -8.9049      1.00000
     71      -8.8468      1.00000
     72      -8.6047      1.00000
     73      -8.5652      1.00000
     74      -8.1225      1.00000
     75      -8.0438      1.00000
     76      -7.9510      1.00000
     77      -7.8307      1.00000
     78      -7.7924      1.00000
     79      -7.7275      1.00000
     80      -7.6932      1.00000
     81      -7.3480      1.00000
     82      -7.3338      1.00000
     83      -7.3257      1.00000
     84      -7.2697      1.00000
     85      -7.0655      1.00000
     86      -6.9828      1.00000
     87      -6.8250      1.00000
     88      -6.7507      1.00000
     89      -6.6425      1.00000
     90      -6.5643      1.00000
     91      -6.1383      1.00000
     92      -6.1028      1.00000
     93      -6.0942      1.00000
     94      -5.9661      1.00000
     95      -5.7343      1.00000
     96      -5.3969      1.00000
     97      -5.2078      1.00000
     98      -4.9392      1.00000
     99      -4.7987      1.00000
    100      -4.6381      1.00000
    101      -4.5373      1.00000
    102      -4.4844      1.00000
    103      -4.3638      1.00000
    104      -4.0450      1.00000
    105      -3.8148      1.00000
    106      -3.5717      1.00000
    107      -2.9431      0.00000
    108      -1.7189      0.00000
    109      -1.6760      0.00000
    110      -1.2930      0.00000
    111      -1.2728      0.00000
    112      -1.2458      0.00000
    113      -1.2125      0.00000
    114      -0.5597      0.00000
    115      -0.1926      0.00000
    116      -0.1696      0.00000
    117       0.6287      0.00000
    118       0.6755      0.00000
    119       0.7254      0.00000
    120       0.9862      0.00000
    121       1.1167      0.00000
    122       1.2416      0.00000
    123       1.3388      0.00000
    124       1.4425      0.00000
    125       1.4948      0.00000
    126       1.7380      0.00000
    127       1.7595      0.00000
    128       1.7975      0.00000
    129       1.8537      0.00000
    130       1.9497      0.00000
    131       2.1683      0.00000
    132       2.2085      0.00000
    133       2.2555      0.00000
    134       2.4272      0.00000
    135       2.5058      0.00000
    136       2.6032      0.00000
    137       2.6865      0.00000
    138       2.6944      0.00000
    139       2.7735      0.00000
    140       2.7952      0.00000
    141       2.8485      0.00000
    142       2.8544      0.00000
    143       2.9881      0.00000
    144       3.0558      0.00000
    145       3.2635      0.00000
    146       3.3502      0.00000
    147       3.3628      0.00000
    148       3.4412      0.00000
    149       3.5193      0.00000
    150       3.5712      0.00000
    151       3.6454      0.00000
    152       3.7189      0.00000
    153       3.7582      0.00000
    154       3.9260      0.00000
    155       3.9524      0.00000
    156       4.0319      0.00000
    157       4.0747      0.00000
    158       4.1565      0.00000
    159       4.2339      0.00000
    160       4.2656      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2226      1.00000
      2     -22.0312      1.00000
      3     -21.6711      1.00000
      4     -21.6424      1.00000
      5     -20.9275      1.00000
      6     -20.8977      1.00000
      7     -20.5671      1.00000
      8     -20.5330      1.00000
      9     -20.5242      1.00000
     10     -19.9910      1.00000
     11     -19.4661      1.00000
     12     -19.4374      1.00000
     13     -19.2744      1.00000
     14     -19.2546      1.00000
     15     -18.4049      1.00000
     16     -18.3682      1.00000
     17     -17.8947      1.00000
     18     -17.8657      1.00000
     19     -17.7166      1.00000
     20     -17.6828      1.00000
     21     -17.4071      1.00000
     22     -17.3841      1.00000
     23     -17.3043      1.00000
     24     -16.4331      1.00000
     25     -16.4128      1.00000
     26     -15.9174      1.00000
     27     -15.3893      1.00000
     28     -15.3595      1.00000
     29     -15.0732      1.00000
     30     -15.0456      1.00000
     31     -14.8373      1.00000
     32     -14.8031      1.00000
     33     -14.2518      1.00000
     34     -14.2162      1.00000
     35     -13.4100      1.00000
     36     -13.3625      1.00000
     37     -13.1602      1.00000
     38     -13.1305      1.00000
     39     -12.9362      1.00000
     40     -12.9261      1.00000
     41     -12.6026      1.00000
     42     -12.5703      1.00000
     43     -12.1685      1.00000
     44     -11.5639      1.00000
     45     -11.5039      1.00000
     46     -11.3011      1.00000
     47     -11.2506      1.00000
     48     -11.1200      1.00000
     49     -10.6822      1.00000
     50     -10.6322      1.00000
     51     -10.4478      1.00000
     52     -10.2863      1.00000
     53     -10.2745      1.00000
     54     -10.1607      1.00000
     55     -10.0838      1.00000
     56     -10.0707      1.00000
     57      -9.7890      1.00000
     58      -9.7369      1.00000
     59      -9.6950      1.00000
     60      -9.6745      1.00000
     61      -9.6582      1.00000
     62      -9.5982      1.00000
     63      -9.3384      1.00000
     64      -9.3192      1.00000
     65      -9.2885      1.00000
     66      -9.0297      1.00000
     67      -8.9314      1.00000
     68      -8.8416      1.00000
     69      -8.7615      1.00000
     70      -8.5923      1.00000
     71      -8.4960      1.00000
     72      -8.3700      1.00000
     73      -8.3632      1.00000
     74      -8.3037      1.00000
     75      -8.2443      1.00000
     76      -8.2414      1.00000
     77      -8.2246      1.00000
     78      -8.1967      1.00000
     79      -7.8756      1.00000
     80      -7.7447      1.00000
     81      -7.3690      1.00000
     82      -7.3157      1.00000
     83      -7.2982      1.00000
     84      -7.2064      1.00000
     85      -7.1794      1.00000
     86      -6.9499      1.00000
     87      -6.9314      1.00000
     88      -6.5937      1.00000
     89      -6.5383      1.00000
     90      -6.2657      1.00000
     91      -6.2010      1.00000
     92      -5.9816      1.00000
     93      -5.8153      1.00000
     94      -5.6687      1.00000
     95      -5.5141      1.00000
     96      -5.3309      1.00000
     97      -5.3052      1.00000
     98      -5.1927      1.00000
     99      -5.1896      1.00000
    100      -5.1083      1.00000
    101      -4.6896      1.00000
    102      -4.5489      1.00000
    103      -4.4501      1.00000
    104      -3.9150      1.00000
    105      -3.7079      1.00000
    106      -3.5371      1.00000
    107      -2.9654      0.00000
    108      -1.8174      0.00000
    109      -1.7621      0.00000
    110      -1.0856      0.00000
    111      -0.9724      0.00000
    112      -0.9414      0.00000
    113      -0.6472      0.00000
    114      -0.6063      0.00000
    115      -0.5693      0.00000
    116      -0.5307      0.00000
    117       0.1763      0.00000
    118       0.2566      0.00000
    119       0.7877      0.00000
    120       1.0051      0.00000
    121       1.1132      0.00000
    122       1.1677      0.00000
    123       1.3563      0.00000
    124       1.4784      0.00000
    125       1.5902      0.00000
    126       1.5951      0.00000
    127       1.6803      0.00000
    128       1.9036      0.00000
    129       1.9451      0.00000
    130       2.0254      0.00000
    131       2.1822      0.00000
    132       2.3417      0.00000
    133       2.3877      0.00000
    134       2.4084      0.00000
    135       2.5961      0.00000
    136       2.6825      0.00000
    137       2.7349      0.00000
    138       2.7728      0.00000
    139       2.8340      0.00000
    140       3.0008      0.00000
    141       3.0492      0.00000
    142       3.0793      0.00000
    143       3.1354      0.00000
    144       3.2548      0.00000
    145       3.3279      0.00000
    146       3.3845      0.00000
    147       3.4491      0.00000
    148       3.5390      0.00000
    149       3.5715      0.00000
    150       3.6005      0.00000
    151       3.6754      0.00000
    152       3.7004      0.00000
    153       3.7583      0.00000
    154       3.7821      0.00000
    155       3.7892      0.00000
    156       3.9320      0.00000
    157       3.9342      0.00000
    158       4.0299      0.00000
    159       4.1962      0.00000
    160       4.2618      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2596      1.00000
      2     -21.8881      1.00000
      3     -21.8755      1.00000
      4     -21.3265      1.00000
      5     -21.3154      1.00000
      6     -20.7707      1.00000
      7     -20.7559      1.00000
      8     -20.5783      1.00000
      9     -20.0308      1.00000
     10     -20.0276      1.00000
     11     -19.6710      1.00000
     12     -19.6575      1.00000
     13     -18.9489      1.00000
     14     -18.9483      1.00000
     15     -18.5941      1.00000
     16     -18.5934      1.00000
     17     -18.4174      1.00000
     18     -17.6415      1.00000
     19     -17.5872      1.00000
     20     -17.5646      1.00000
     21     -17.5594      1.00000
     22     -17.0743      1.00000
     23     -17.0727      1.00000
     24     -16.9220      1.00000
     25     -15.9551      1.00000
     26     -15.9041      1.00000
     27     -15.5482      1.00000
     28     -15.5307      1.00000
     29     -15.2679      1.00000
     30     -14.8177      1.00000
     31     -14.7944      1.00000
     32     -14.5401      1.00000
     33     -14.5094      1.00000
     34     -14.1327      1.00000
     35     -14.1288      1.00000
     36     -13.1049      1.00000
     37     -13.0407      1.00000
     38     -13.0164      1.00000
     39     -12.9867      1.00000
     40     -12.6749      1.00000
     41     -12.6733      1.00000
     42     -12.2887      1.00000
     43     -12.2822      1.00000
     44     -11.6532      1.00000
     45     -11.6014      1.00000
     46     -11.5402      1.00000
     47     -10.9411      1.00000
     48     -10.8923      1.00000
     49     -10.6363      1.00000
     50     -10.5961      1.00000
     51     -10.4758      1.00000
     52     -10.4657      1.00000
     53     -10.4057      1.00000
     54     -10.4027      1.00000
     55     -10.3127      1.00000
     56     -10.0393      1.00000
     57      -9.8759      1.00000
     58      -9.5828      1.00000
     59      -9.5188      1.00000
     60      -9.5025      1.00000
     61      -9.3801      1.00000
     62      -9.3701      1.00000
     63      -9.3390      1.00000
     64      -9.2941      1.00000
     65      -9.2423      1.00000
     66      -9.1710      1.00000
     67      -9.1283      1.00000
     68      -9.0837      1.00000
     69      -8.8463      1.00000
     70      -8.8261      1.00000
     71      -8.6809      1.00000
     72      -8.5742      1.00000
     73      -8.4193      1.00000
     74      -8.2001      1.00000
     75      -8.1534      1.00000
     76      -7.9754      1.00000
     77      -7.8826      1.00000
     78      -7.8190      1.00000
     79      -7.7915      1.00000
     80      -7.7660      1.00000
     81      -7.6752      1.00000
     82      -7.6204      1.00000
     83      -7.4093      1.00000
     84      -7.3507      1.00000
     85      -6.8998      1.00000
     86      -6.8924      1.00000
     87      -6.7303      1.00000
     88      -6.6471      1.00000
     89      -6.4081      1.00000
     90      -6.3302      1.00000
     91      -6.2897      1.00000
     92      -6.1850      1.00000
     93      -5.9724      1.00000
     94      -5.5808      1.00000
     95      -5.4780      1.00000
     96      -5.4115      1.00000
     97      -5.3705      1.00000
     98      -5.1934      1.00000
     99      -5.1073      1.00000
    100      -4.7534      1.00000
    101      -4.7032      1.00000
    102      -4.5694      1.00000
    103      -4.4181      1.00000
    104      -4.2015      1.00000
    105      -3.5553      1.00000
    106      -3.3957      1.00000
    107      -3.0483      0.00000
    108      -2.1028      0.00000
    109      -1.2462      0.00000
    110      -1.2040      0.00000
    111      -1.1753      0.00000
    112      -0.9324      0.00000
    113      -0.8329      0.00000
    114      -0.7840      0.00000
    115      -0.7016      0.00000
    116       0.1955      0.00000
    117       0.2010      0.00000
    118       0.3059      0.00000
    119       0.7659      0.00000
    120       0.8220      0.00000
    121       0.9134      0.00000
    122       1.1184      0.00000
    123       1.3260      0.00000
    124       1.5063      0.00000
    125       1.5774      0.00000
    126       1.8082      0.00000
    127       1.8344      0.00000
    128       1.8703      0.00000
    129       1.9638      0.00000
    130       1.9786      0.00000
    131       2.2501      0.00000
    132       2.4048      0.00000
    133       2.4051      0.00000
    134       2.4247      0.00000
    135       2.5564      0.00000
    136       2.5825      0.00000
    137       2.6284      0.00000
    138       2.7144      0.00000
    139       2.7319      0.00000
    140       2.9580      0.00000
    141       3.0508      0.00000
    142       3.1244      0.00000
    143       3.1867      0.00000
    144       3.2271      0.00000
    145       3.2281      0.00000
    146       3.3062      0.00000
    147       3.3286      0.00000
    148       3.5127      0.00000
    149       3.5144      0.00000
    150       3.6226      0.00000
    151       3.6960      0.00000
    152       3.7188      0.00000
    153       3.7962      0.00000
    154       3.9274      0.00000
    155       3.9783      0.00000
    156       3.9803      0.00000
    157       3.9905      0.00000
    158       4.0040      0.00000
    159       4.0309      0.00000
    160       4.1382      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1277      1.00000
      2     -22.0891      1.00000
      3     -21.9180      1.00000
      4     -21.3587      1.00000
      5     -21.0037      1.00000
      6     -20.9681      1.00000
      7     -20.4522      1.00000
      8     -20.4146      1.00000
      9     -20.2608      1.00000
     10     -20.2309      1.00000
     11     -19.9006      1.00000
     12     -19.8629      1.00000
     13     -18.8279      1.00000
     14     -18.7845      1.00000
     15     -18.3111      1.00000
     16     -18.2606      1.00000
     17     -18.1211      1.00000
     18     -18.0921      1.00000
     19     -17.7850      1.00000
     20     -17.7459      1.00000
     21     -17.2246      1.00000
     22     -17.1953      1.00000
     23     -17.1317      1.00000
     24     -17.0940      1.00000
     25     -16.0577      1.00000
     26     -15.8593      1.00000
     27     -15.8217      1.00000
     28     -15.7902      1.00000
     29     -15.2084      1.00000
     30     -14.5305      1.00000
     31     -14.4849      1.00000
     32     -14.2531      1.00000
     33     -13.9286      1.00000
     34     -13.9172      1.00000
     35     -13.7911      1.00000
     36     -13.7633      1.00000
     37     -13.5824      1.00000
     38     -13.5338      1.00000
     39     -13.3228      1.00000
     40     -12.5843      1.00000
     41     -12.1756      1.00000
     42     -12.1007      1.00000
     43     -12.0353      1.00000
     44     -11.9904      1.00000
     45     -11.6552      1.00000
     46     -11.6201      1.00000
     47     -11.1386      1.00000
     48     -11.0834      1.00000
     49     -10.7817      1.00000
     50     -10.7056      1.00000
     51     -10.4038      1.00000
     52     -10.1915      1.00000
     53     -10.1679      1.00000
     54     -10.1259      1.00000
     55      -9.9938      1.00000
     56      -9.9816      1.00000
     57      -9.9401      1.00000
     58      -9.7955      1.00000
     59      -9.7678      1.00000
     60      -9.7422      1.00000
     61      -9.7206      1.00000
     62      -9.4392      1.00000
     63      -9.3354      1.00000
     64      -9.0896      1.00000
     65      -9.0418      1.00000
     66      -9.0040      1.00000
     67      -8.8915      1.00000
     68      -8.8254      1.00000
     69      -8.7082      1.00000
     70      -8.6639      1.00000
     71      -8.5678      1.00000
     72      -8.5088      1.00000
     73      -8.4731      1.00000
     74      -8.4365      1.00000
     75      -8.3320      1.00000
     76      -8.1981      1.00000
     77      -8.0662      1.00000
     78      -7.9803      1.00000
     79      -7.9090      1.00000
     80      -7.8800      1.00000
     81      -7.6951      1.00000
     82      -7.5620      1.00000
     83      -7.4941      1.00000
     84      -6.9784      1.00000
     85      -6.9083      1.00000
     86      -6.8585      1.00000
     87      -6.7410      1.00000
     88      -6.5207      1.00000
     89      -6.4688      1.00000
     90      -6.3794      1.00000
     91      -6.1923      1.00000
     92      -5.9294      1.00000
     93      -5.7963      1.00000
     94      -5.7497      1.00000
     95      -5.5570      1.00000
     96      -5.3760      1.00000
     97      -5.2436      1.00000
     98      -5.1960      1.00000
     99      -5.1816      1.00000
    100      -5.1229      1.00000
    101      -4.8095      1.00000
    102      -4.5391      1.00000
    103      -4.4560      1.00000
    104      -4.2455      1.00000
    105      -3.5563      1.00000
    106      -3.2896      1.00000
    107      -2.9385      0.00000
    108      -2.3435      0.00000
    109      -1.1827      0.00000
    110      -1.1641      0.00000
    111      -1.1155      0.00000
    112      -1.0587      0.00000
    113      -0.5031      0.00000
    114      -0.4565      0.00000
    115      -0.2981      0.00000
    116      -0.2726      0.00000
    117       0.0008      0.00000
    118       0.0355      0.00000
    119       0.5319      0.00000
    120       0.6424      0.00000
    121       0.8822      0.00000
    122       0.9783      0.00000
    123       1.1881      0.00000
    124       1.5320      0.00000
    125       1.7584      0.00000
    126       1.7771      0.00000
    127       2.0059      0.00000
    128       2.1114      0.00000
    129       2.1313      0.00000
    130       2.1445      0.00000
    131       2.2592      0.00000
    132       2.3073      0.00000
    133       2.3545      0.00000
    134       2.4602      0.00000
    135       2.6669      0.00000
    136       2.7553      0.00000
    137       2.7968      0.00000
    138       2.8795      0.00000
    139       2.9589      0.00000
    140       2.9946      0.00000
    141       3.0520      0.00000
    142       3.1075      0.00000
    143       3.1610      0.00000
    144       3.2322      0.00000
    145       3.2630      0.00000
    146       3.2951      0.00000
    147       3.3252      0.00000
    148       3.3476      0.00000
    149       3.3955      0.00000
    150       3.5324      0.00000
    151       3.6073      0.00000
    152       3.6650      0.00000
    153       3.6902      0.00000
    154       3.7064      0.00000
    155       3.7276      0.00000
    156       3.7884      0.00000
    157       3.9567      0.00000
    158       4.0561      0.00000
    159       4.1305      0.00000
    160       4.2593      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2592      1.00000
      2     -21.9008      1.00000
      3     -21.8629      1.00000
      4     -21.3381      1.00000
      5     -21.3028      1.00000
      6     -20.7828      1.00000
      7     -20.7447      1.00000
      8     -20.5785      1.00000
      9     -20.0473      1.00000
     10     -20.0118      1.00000
     11     -19.6808      1.00000
     12     -19.6462      1.00000
     13     -18.9682      1.00000
     14     -18.9308      1.00000
     15     -18.6123      1.00000
     16     -18.5748      1.00000
     17     -18.4182      1.00000
     18     -17.6324      1.00000
     19     -17.5884      1.00000
     20     -17.5667      1.00000
     21     -17.5497      1.00000
     22     -17.0980      1.00000
     23     -17.0556      1.00000
     24     -16.9373      1.00000
     25     -15.9806      1.00000
     26     -15.8701      1.00000
     27     -15.5675      1.00000
     28     -15.5283      1.00000
     29     -15.2322      1.00000
     30     -14.8492      1.00000
     31     -14.7912      1.00000
     32     -14.5386      1.00000
     33     -14.5011      1.00000
     34     -14.1280      1.00000
     35     -14.1162      1.00000
     36     -13.1552      1.00000
     37     -13.0504      1.00000
     38     -12.9972      1.00000
     39     -12.9769      1.00000
     40     -12.7002      1.00000
     41     -12.6547      1.00000
     42     -12.2982      1.00000
     43     -12.2775      1.00000
     44     -11.6184      1.00000
     45     -11.5857      1.00000
     46     -11.5261      1.00000
     47     -10.9228      1.00000
     48     -10.8956      1.00000
     49     -10.7120      1.00000
     50     -10.5672      1.00000
     51     -10.5338      1.00000
     52     -10.4649      1.00000
     53     -10.4258      1.00000
     54     -10.3667      1.00000
     55     -10.3161      1.00000
     56     -10.0340      1.00000
     57      -9.8703      1.00000
     58      -9.6025      1.00000
     59      -9.5237      1.00000
     60      -9.4550      1.00000
     61      -9.4018      1.00000
     62      -9.3736      1.00000
     63      -9.3428      1.00000
     64      -9.2975      1.00000
     65      -9.2453      1.00000
     66      -9.1338      1.00000
     67      -9.0877      1.00000
     68      -9.0713      1.00000
     69      -8.8515      1.00000
     70      -8.8312      1.00000
     71      -8.7030      1.00000
     72      -8.5602      1.00000
     73      -8.4377      1.00000
     74      -8.1984      1.00000
     75      -8.1681      1.00000
     76      -8.0401      1.00000
     77      -7.8671      1.00000
     78      -7.8046      1.00000
     79      -7.7714      1.00000
     80      -7.7175      1.00000
     81      -7.6807      1.00000
     82      -7.6410      1.00000
     83      -7.4469      1.00000
     84      -7.3081      1.00000
     85      -6.9198      1.00000
     86      -6.8866      1.00000
     87      -6.7759      1.00000
     88      -6.5573      1.00000
     89      -6.3897      1.00000
     90      -6.3222      1.00000
     91      -6.2772      1.00000
     92      -6.1692      1.00000
     93      -6.0676      1.00000
     94      -5.7831      1.00000
     95      -5.5318      1.00000
     96      -5.3568      1.00000
     97      -5.2048      1.00000
     98      -5.1778      1.00000
     99      -5.0299      1.00000
    100      -4.8137      1.00000
    101      -4.6687      1.00000
    102      -4.4925      1.00000
    103      -4.4301      1.00000
    104      -4.2368      1.00000
    105      -3.6317      1.00000
    106      -3.5476      1.00000
    107      -2.8442      0.00000
    108      -2.1356      0.00000
    109      -1.2455      0.00000
    110      -1.1893      0.00000
    111      -1.1782      0.00000
    112      -0.8866      0.00000
    113      -0.8670      0.00000
    114      -0.7863      0.00000
    115      -0.7533      0.00000
    116       0.1436      0.00000
    117       0.2448      0.00000
    118       0.3168      0.00000
    119       0.7188      0.00000
    120       0.8574      0.00000
    121       0.9364      0.00000
    122       1.1650      0.00000
    123       1.2591      0.00000
    124       1.5195      0.00000
    125       1.5737      0.00000
    126       1.7983      0.00000
    127       1.8823      0.00000
    128       1.8839      0.00000
    129       1.9626      0.00000
    130       2.0476      0.00000
    131       2.2198      0.00000
    132       2.3325      0.00000
    133       2.4234      0.00000
    134       2.4372      0.00000
    135       2.5765      0.00000
    136       2.6072      0.00000
    137       2.6645      0.00000
    138       2.7154      0.00000
    139       2.7505      0.00000
    140       2.8896      0.00000
    141       3.0370      0.00000
    142       3.1346      0.00000
    143       3.1940      0.00000
    144       3.2160      0.00000
    145       3.2363      0.00000
    146       3.2786      0.00000
    147       3.3231      0.00000
    148       3.4409      0.00000
    149       3.5370      0.00000
    150       3.6050      0.00000
    151       3.6941      0.00000
    152       3.7058      0.00000
    153       3.8543      0.00000
    154       3.9013      0.00000
    155       3.9264      0.00000
    156       3.9574      0.00000
    157       4.0056      0.00000
    158       4.0086      0.00000
    159       4.0436      0.00000
    160       4.0855      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3342      1.00000
      2     -21.7738      1.00000
      3     -21.5926      1.00000
      4     -21.5684      1.00000
      5     -21.2235      1.00000
      6     -21.1946      1.00000
      7     -21.0192      1.00000
      8     -20.1191      1.00000
      9     -20.0880      1.00000
     10     -19.5755      1.00000
     11     -19.5425      1.00000
     12     -19.3734      1.00000
     13     -19.0600      1.00000
     14     -19.0207      1.00000
     15     -19.0038      1.00000
     16     -18.9865      1.00000
     17     -18.3325      1.00000
     18     -18.3027      1.00000
     19     -17.9748      1.00000
     20     -17.0238      1.00000
     21     -16.9837      1.00000
     22     -16.9251      1.00000
     23     -16.8996      1.00000
     24     -16.4536      1.00000
     25     -16.4184      1.00000
     26     -15.5757      1.00000
     27     -15.5469      1.00000
     28     -15.2044      1.00000
     29     -15.1830      1.00000
     30     -15.1635      1.00000
     31     -15.0832      1.00000
     32     -15.0304      1.00000
     33     -14.6699      1.00000
     34     -14.6425      1.00000
     35     -13.7038      1.00000
     36     -13.6707      1.00000
     37     -13.2087      1.00000
     38     -12.6388      1.00000
     39     -12.5399      1.00000
     40     -12.4267      1.00000
     41     -12.4049      1.00000
     42     -12.0744      1.00000
     43     -12.0521      1.00000
     44     -11.6757      1.00000
     45     -11.6436      1.00000
     46     -11.2858      1.00000
     47     -11.1851      1.00000
     48     -10.9965      1.00000
     49     -10.9659      1.00000
     50     -10.8877      1.00000
     51     -10.8552      1.00000
     52     -10.5617      1.00000
     53     -10.2066      1.00000
     54     -10.1170      1.00000
     55     -10.0610      1.00000
     56      -9.8897      1.00000
     57      -9.6632      1.00000
     58      -9.6627      1.00000
     59      -9.6265      1.00000
     60      -9.6000      1.00000
     61      -9.5315      1.00000
     62      -9.4737      1.00000
     63      -9.3139      1.00000
     64      -9.2665      1.00000
     65      -9.2193      1.00000
     66      -9.1935      1.00000
     67      -9.0966      1.00000
     68      -9.0913      1.00000
     69      -9.0691      1.00000
     70      -8.9032      1.00000
     71      -8.8357      1.00000
     72      -8.5717      1.00000
     73      -8.5591      1.00000
     74      -8.1719      1.00000
     75      -8.0114      1.00000
     76      -7.9498      1.00000
     77      -7.8817      1.00000
     78      -7.7761      1.00000
     79      -7.7285      1.00000
     80      -7.7152      1.00000
     81      -7.4031      1.00000
     82      -7.2842      1.00000
     83      -7.2443      1.00000
     84      -7.2179      1.00000
     85      -7.1529      1.00000
     86      -6.9661      1.00000
     87      -6.8565      1.00000
     88      -6.6939      1.00000
     89      -6.6619      1.00000
     90      -6.5857      1.00000
     91      -6.1605      1.00000
     92      -6.0880      1.00000
     93      -6.0710      1.00000
     94      -5.9083      1.00000
     95      -5.8825      1.00000
     96      -5.3763      1.00000
     97      -5.1912      1.00000
     98      -4.8726      1.00000
     99      -4.8561      1.00000
    100      -4.6466      1.00000
    101      -4.5228      1.00000
    102      -4.3904      1.00000
    103      -4.2654      1.00000
    104      -4.0639      1.00000
    105      -4.0388      1.00000
    106      -3.5660      1.00000
    107      -2.8655      0.00000
    108      -1.7038      0.00000
    109      -1.6992      0.00000
    110      -1.3069      0.00000
    111      -1.2617      0.00000
    112      -1.2307      0.00000
    113      -1.2289      0.00000
    114      -0.5682      0.00000
    115      -0.2543      0.00000
    116      -0.1135      0.00000
    117       0.5840      0.00000
    118       0.6726      0.00000
    119       0.8097      0.00000
    120       0.9575      0.00000
    121       1.1394      0.00000
    122       1.2039      0.00000
    123       1.2803      0.00000
    124       1.4506      0.00000
    125       1.6177      0.00000
    126       1.6857      0.00000
    127       1.7694      0.00000
    128       1.7768      0.00000
    129       1.9136      0.00000
    130       1.9371      0.00000
    131       2.1816      0.00000
    132       2.1937      0.00000
    133       2.2313      0.00000
    134       2.4696      0.00000
    135       2.4995      0.00000
    136       2.5872      0.00000
    137       2.6346      0.00000
    138       2.7074      0.00000
    139       2.8108      0.00000
    140       2.8203      0.00000
    141       2.8608      0.00000
    142       2.9478      0.00000
    143       2.9748      0.00000
    144       3.0173      0.00000
    145       3.1357      0.00000
    146       3.3428      0.00000
    147       3.3728      0.00000
    148       3.4163      0.00000
    149       3.5826      0.00000
    150       3.6048      0.00000
    151       3.6343      0.00000
    152       3.6664      0.00000
    153       3.7798      0.00000
    154       3.7958      0.00000
    155       3.9983      0.00000
    156       4.0315      0.00000
    157       4.0459      0.00000
    158       4.1177      0.00000
    159       4.2295      0.00000
    160       4.3435      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1177      1.00000
      2     -22.1013      1.00000
      3     -21.9159      1.00000
      4     -21.3585      1.00000
      5     -20.9916      1.00000
      6     -20.9808      1.00000
      7     -20.4399      1.00000
      8     -20.4272      1.00000
      9     -20.2479      1.00000
     10     -20.2455      1.00000
     11     -19.8879      1.00000
     12     -19.8737      1.00000
     13     -18.8214      1.00000
     14     -18.7947      1.00000
     15     -18.2844      1.00000
     16     -18.2783      1.00000
     17     -18.1120      1.00000
     18     -18.1061      1.00000
     19     -17.7662      1.00000
     20     -17.7617      1.00000
     21     -17.2287      1.00000
     22     -17.2013      1.00000
     23     -17.1168      1.00000
     24     -17.0978      1.00000
     25     -16.0915      1.00000
     26     -15.8320      1.00000
     27     -15.8214      1.00000
     28     -15.8035      1.00000
     29     -15.1844      1.00000
     30     -14.5101      1.00000
     31     -14.4974      1.00000
     32     -14.2294      1.00000
     33     -13.9635      1.00000
     34     -13.9265      1.00000
     35     -13.7900      1.00000
     36     -13.7774      1.00000
     37     -13.5593      1.00000
     38     -13.5398      1.00000
     39     -13.3297      1.00000
     40     -12.6106      1.00000
     41     -12.1293      1.00000
     42     -12.1178      1.00000
     43     -12.0063      1.00000
     44     -11.9887      1.00000
     45     -11.6528      1.00000
     46     -11.6388      1.00000
     47     -11.1375      1.00000
     48     -11.1010      1.00000
     49     -10.7581      1.00000
     50     -10.6994      1.00000
     51     -10.4410      1.00000
     52     -10.1741      1.00000
     53     -10.1661      1.00000
     54     -10.1495      1.00000
     55     -10.0031      1.00000
     56      -9.9643      1.00000
     57      -9.9367      1.00000
     58      -9.8137      1.00000
     59      -9.7664      1.00000
     60      -9.7429      1.00000
     61      -9.7293      1.00000
     62      -9.4296      1.00000
     63      -9.3318      1.00000
     64      -9.0779      1.00000
     65      -9.0408      1.00000
     66      -8.9679      1.00000
     67      -8.9404      1.00000
     68      -8.8011      1.00000
     69      -8.6840      1.00000
     70      -8.6682      1.00000
     71      -8.5442      1.00000
     72      -8.5128      1.00000
     73      -8.4438      1.00000
     74      -8.4378      1.00000
     75      -8.2992      1.00000
     76      -8.2312      1.00000
     77      -8.1106      1.00000
     78      -8.0489      1.00000
     79      -8.0248      1.00000
     80      -7.7895      1.00000
     81      -7.6002      1.00000
     82      -7.5927      1.00000
     83      -7.4595      1.00000
     84      -7.0040      1.00000
     85      -6.9499      1.00000
     86      -6.8638      1.00000
     87      -6.5732      1.00000
     88      -6.5399      1.00000
     89      -6.4586      1.00000
     90      -6.4051      1.00000
     91      -6.3293      1.00000
     92      -5.9851      1.00000
     93      -5.7690      1.00000
     94      -5.7279      1.00000
     95      -5.5594      1.00000
     96      -5.3795      1.00000
     97      -5.2050      1.00000
     98      -5.1997      1.00000
     99      -5.1780      1.00000
    100      -5.1561      1.00000
    101      -4.6482      1.00000
    102      -4.5013      1.00000
    103      -4.4404      1.00000
    104      -4.3845      1.00000
    105      -3.5729      1.00000
    106      -3.4308      1.00000
    107      -2.7328      0.00000
    108      -2.4085      0.00000
    109      -1.1655      0.00000
    110      -1.1582      0.00000
    111      -1.1470      0.00000
    112      -1.0513      0.00000
    113      -0.4888      0.00000
    114      -0.4784      0.00000
    115      -0.3231      0.00000
    116      -0.2461      0.00000
    117       0.0050      0.00000
    118       0.0072      0.00000
    119       0.5226      0.00000
    120       0.6645      0.00000
    121       0.8193      0.00000
    122       1.0051      0.00000
    123       1.2421      0.00000
    124       1.4988      0.00000
    125       1.7621      0.00000
    126       1.9576      0.00000
    127       1.9579      0.00000
    128       2.0270      0.00000
    129       2.0904      0.00000
    130       2.1784      0.00000
    131       2.2886      0.00000
    132       2.2934      0.00000
    133       2.3559      0.00000
    134       2.5590      0.00000
    135       2.6350      0.00000
    136       2.6826      0.00000
    137       2.8500      0.00000
    138       2.8887      0.00000
    139       2.9630      0.00000
    140       2.9752      0.00000
    141       3.1265      0.00000
    142       3.1424      0.00000
    143       3.1446      0.00000
    144       3.1817      0.00000
    145       3.2432      0.00000
    146       3.2471      0.00000
    147       3.3355      0.00000
    148       3.3547      0.00000
    149       3.4058      0.00000
    150       3.4140      0.00000
    151       3.5120      0.00000
    152       3.6293      0.00000
    153       3.6827      0.00000
    154       3.6976      0.00000
    155       3.8368      0.00000
    156       3.9115      0.00000
    157       3.9656      0.00000
    158       3.9917      0.00000
    159       4.1139      0.00000
    160       4.2028      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2216      1.00000
      2     -22.0336      1.00000
      3     -21.6683      1.00000
      4     -21.6431      1.00000
      5     -20.9277      1.00000
      6     -20.8979      1.00000
      7     -20.5582      1.00000
      8     -20.5388      1.00000
      9     -20.5279      1.00000
     10     -19.9918      1.00000
     11     -19.4654      1.00000
     12     -19.4340      1.00000
     13     -19.2799      1.00000
     14     -19.2538      1.00000
     15     -18.3999      1.00000
     16     -18.3686      1.00000
     17     -17.8965      1.00000
     18     -17.8655      1.00000
     19     -17.7153      1.00000
     20     -17.6818      1.00000
     21     -17.4118      1.00000
     22     -17.3821      1.00000
     23     -17.2960      1.00000
     24     -16.4528      1.00000
     25     -16.4132      1.00000
     26     -15.9366      1.00000
     27     -15.3787      1.00000
     28     -15.3503      1.00000
     29     -15.0672      1.00000
     30     -15.0369      1.00000
     31     -14.8105      1.00000
     32     -14.7904      1.00000
     33     -14.2858      1.00000
     34     -14.2158      1.00000
     35     -13.4427      1.00000
     36     -13.3616      1.00000
     37     -13.1527      1.00000
     38     -13.1202      1.00000
     39     -12.9608      1.00000
     40     -12.9310      1.00000
     41     -12.5868      1.00000
     42     -12.5587      1.00000
     43     -12.1750      1.00000
     44     -11.5333      1.00000
     45     -11.4974      1.00000
     46     -11.2722      1.00000
     47     -11.2435      1.00000
     48     -11.1320      1.00000
     49     -10.7645      1.00000
     50     -10.6257      1.00000
     51     -10.4487      1.00000
     52     -10.2821      1.00000
     53     -10.2763      1.00000
     54     -10.1657      1.00000
     55     -10.0883      1.00000
     56     -10.0554      1.00000
     57      -9.8052      1.00000
     58      -9.7047      1.00000
     59      -9.6915      1.00000
     60      -9.6849      1.00000
     61      -9.6702      1.00000
     62      -9.6042      1.00000
     63      -9.3450      1.00000
     64      -9.3174      1.00000
     65      -9.2844      1.00000
     66      -8.9687      1.00000
     67      -8.9303      1.00000
     68      -8.8789      1.00000
     69      -8.7470      1.00000
     70      -8.5577      1.00000
     71      -8.4825      1.00000
     72      -8.4000      1.00000
     73      -8.3592      1.00000
     74      -8.2863      1.00000
     75      -8.2407      1.00000
     76      -8.2241      1.00000
     77      -8.2088      1.00000
     78      -8.1919      1.00000
     79      -7.9962      1.00000
     80      -7.7796      1.00000
     81      -7.4145      1.00000
     82      -7.3197      1.00000
     83      -7.2403      1.00000
     84      -7.1400      1.00000
     85      -7.0949      1.00000
     86      -6.9556      1.00000
     87      -6.9084      1.00000
     88      -6.5827      1.00000
     89      -6.5588      1.00000
     90      -6.4337      1.00000
     91      -6.2452      1.00000
     92      -5.9035      1.00000
     93      -5.8224      1.00000
     94      -5.6747      1.00000
     95      -5.5836      1.00000
     96      -5.2951      1.00000
     97      -5.2601      1.00000
     98      -5.1844      1.00000
     99      -5.1840      1.00000
    100      -5.1602      1.00000
    101      -4.5209      1.00000
    102      -4.4553      1.00000
    103      -4.3971      1.00000
    104      -4.0755      1.00000
    105      -3.9270      1.00000
    106      -3.5191      1.00000
    107      -2.8150      0.00000
    108      -1.8055      0.00000
    109      -1.7928      0.00000
    110      -1.0790      0.00000
    111      -1.0100      0.00000
    112      -0.9259      0.00000
    113      -0.6545      0.00000
    114      -0.6056      0.00000
    115      -0.5709      0.00000
    116      -0.5271      0.00000
    117       0.1598      0.00000
    118       0.2622      0.00000
    119       0.7096      0.00000
    120       0.9739      0.00000
    121       1.0942      0.00000
    122       1.2575      0.00000
    123       1.4237      0.00000
    124       1.5335      0.00000
    125       1.6006      0.00000
    126       1.6259      0.00000
    127       1.6496      0.00000
    128       1.8426      0.00000
    129       1.9327      0.00000
    130       2.1097      0.00000
    131       2.2023      0.00000
    132       2.3391      0.00000
    133       2.3719      0.00000
    134       2.4694      0.00000
    135       2.6016      0.00000
    136       2.6609      0.00000
    137       2.7307      0.00000
    138       2.7415      0.00000
    139       2.8475      0.00000
    140       2.9541      0.00000
    141       3.0483      0.00000
    142       3.0717      0.00000
    143       3.1880      0.00000
    144       3.2858      0.00000
    145       3.3333      0.00000
    146       3.3403      0.00000
    147       3.4689      0.00000
    148       3.5267      0.00000
    149       3.5620      0.00000
    150       3.6006      0.00000
    151       3.6158      0.00000
    152       3.6901      0.00000
    153       3.7316      0.00000
    154       3.7668      0.00000
    155       3.7726      0.00000
    156       3.8467      0.00000
    157       3.9257      0.00000
    158       4.0060      0.00000
    159       4.0314      0.00000
    160       4.2758      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3718      1.00000
      2     -21.5023      1.00000
      3     -21.4316      1.00000
      4     -21.4297      1.00000
      5     -21.4174      1.00000
      6     -21.4074      1.00000
      7     -21.4044      1.00000
      8     -19.6635      1.00000
      9     -19.5974      1.00000
     10     -19.5924      1.00000
     11     -19.5793      1.00000
     12     -19.5678      1.00000
     13     -19.5650      1.00000
     14     -18.7635      1.00000
     15     -18.7042      1.00000
     16     -18.6961      1.00000
     17     -18.6819      1.00000
     18     -18.6733      1.00000
     19     -18.6703      1.00000
     20     -16.6285      1.00000
     21     -16.5487      1.00000
     22     -16.5448      1.00000
     23     -16.5337      1.00000
     24     -16.5262      1.00000
     25     -16.5232      1.00000
     26     -15.6068      1.00000
     27     -15.5635      1.00000
     28     -15.5238      1.00000
     29     -15.5226      1.00000
     30     -15.5175      1.00000
     31     -15.5158      1.00000
     32     -14.2558      1.00000
     33     -14.2208      1.00000
     34     -14.1956      1.00000
     35     -14.1928      1.00000
     36     -14.1734      1.00000
     37     -14.1714      1.00000
     38     -11.9827      1.00000
     39     -11.8706      1.00000
     40     -11.8239      1.00000
     41     -11.8097      1.00000
     42     -11.8085      1.00000
     43     -11.8024      1.00000
     44     -11.7297      1.00000
     45     -11.7193      1.00000
     46     -11.7078      1.00000
     47     -11.6984      1.00000
     48     -11.6852      1.00000
     49     -11.6835      1.00000
     50     -10.6433      1.00000
     51     -10.3745      1.00000
     52     -10.3563      1.00000
     53     -10.3375      1.00000
     54     -10.3277      1.00000
     55     -10.3195      1.00000
     56     -10.2945      1.00000
     57      -9.7899      1.00000
     58      -9.4113      1.00000
     59      -9.3896      1.00000
     60      -9.3526      1.00000
     61      -9.3415      1.00000
     62      -9.3333      1.00000
     63      -9.1757      1.00000
     64      -9.0755      1.00000
     65      -9.0738      1.00000
     66      -9.0647      1.00000
     67      -9.0624      1.00000
     68      -9.0323      1.00000
     69      -9.0254      1.00000
     70      -9.0248      1.00000
     71      -9.0172      1.00000
     72      -9.0059      1.00000
     73      -8.9926      1.00000
     74      -8.9717      1.00000
     75      -7.9891      1.00000
     76      -7.7009      1.00000
     77      -7.5036      1.00000
     78      -7.4851      1.00000
     79      -7.4573      1.00000
     80      -7.4132      1.00000
     81      -7.3982      1.00000
     82      -7.3791      1.00000
     83      -7.3469      1.00000
     84      -7.2231      1.00000
     85      -7.1817      1.00000
     86      -7.1770      1.00000
     87      -7.1737      1.00000
     88      -6.6148      1.00000
     89      -6.5765      1.00000
     90      -6.3650      1.00000
     91      -6.3565      1.00000
     92      -6.3167      1.00000
     93      -6.2940      1.00000
     94      -5.9465      1.00000
     95      -5.8899      1.00000
     96      -5.3607      1.00000
     97      -5.1932      1.00000
     98      -4.8387      1.00000
     99      -4.7157      1.00000
    100      -4.3621      1.00000
    101      -4.3573      1.00000
    102      -4.3464      1.00000
    103      -4.3342      1.00000
    104      -4.1685      1.00000
    105      -3.9333      1.00000
    106      -3.5945      1.00000
    107      -2.9210      0.00000
    108      -1.5547      0.00000
    109      -1.5499      0.00000
    110      -1.5377      0.00000
    111      -1.5354      0.00000
    112      -1.4796      0.00000
    113      -1.4625      0.00000
    114       0.0763      0.00000
    115       0.2357      0.00000
    116       0.2797      0.00000
    117       0.3017      0.00000
    118       0.3077      0.00000
    119       0.3754      0.00000
    120       0.6120      0.00000
    121       1.2675      0.00000
    122       1.3636      0.00000
    123       1.6950      0.00000
    124       1.7547      0.00000
    125       1.7815      0.00000
    126       1.7864      0.00000
    127       1.8495      0.00000
    128       1.8730      0.00000
    129       1.9992      0.00000
    130       2.0058      0.00000
    131       2.0158      0.00000
    132       2.0213      0.00000
    133       2.0233      0.00000
    134       2.0833      0.00000
    135       2.3118      0.00000
    136       2.4596      0.00000
    137       2.5742      0.00000
    138       2.5919      0.00000
    139       2.6259      0.00000
    140       2.7359      0.00000
    141       2.8354      0.00000
    142       3.0279      0.00000
    143       3.0387      0.00000
    144       3.0521      0.00000
    145       3.0680      0.00000
    146       3.0845      0.00000
    147       3.1006      0.00000
    148       3.4401      0.00000
    149       3.5394      0.00000
    150       3.5823      0.00000
    151       3.9033      0.00000
    152       3.9125      0.00000
    153       3.9466      0.00000
    154       3.9480      0.00000
    155       3.9779      0.00000
    156       4.0463      0.00000
    157       4.1582      0.00000
    158       4.2036      0.00000
    159       4.2538      0.00000
    160       4.2575      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3343      1.00000
      2     -21.7716      1.00000
      3     -21.5967      1.00000
      4     -21.5675      1.00000
      5     -21.2216      1.00000
      6     -21.1946      1.00000
      7     -21.0202      1.00000
      8     -20.1186      1.00000
      9     -20.0876      1.00000
     10     -19.5718      1.00000
     11     -19.5453      1.00000
     12     -19.3776      1.00000
     13     -19.0491      1.00000
     14     -19.0193      1.00000
     15     -19.0051      1.00000
     16     -18.9949      1.00000
     17     -18.3277      1.00000
     18     -18.3044      1.00000
     19     -17.9807      1.00000
     20     -17.0339      1.00000
     21     -16.9838      1.00000
     22     -16.9163      1.00000
     23     -16.8998      1.00000
     24     -16.4372      1.00000
     25     -16.4159      1.00000
     26     -15.5899      1.00000
     27     -15.5574      1.00000
     28     -15.2352      1.00000
     29     -15.1949      1.00000
     30     -15.1314      1.00000
     31     -15.0564      1.00000
     32     -15.0298      1.00000
     33     -14.6699      1.00000
     34     -14.6503      1.00000
     35     -13.7065      1.00000
     36     -13.6800      1.00000
     37     -13.2008      1.00000
     38     -12.5964      1.00000
     39     -12.5416      1.00000
     40     -12.4196      1.00000
     41     -12.4022      1.00000
     42     -12.1099      1.00000
     43     -12.0684      1.00000
     44     -11.6970      1.00000
     45     -11.6481      1.00000
     46     -11.2344      1.00000
     47     -11.1895      1.00000
     48     -11.0076      1.00000
     49     -10.9702      1.00000
     50     -10.9099      1.00000
     51     -10.8663      1.00000
     52     -10.5293      1.00000
     53     -10.1284      1.00000
     54     -10.1206      1.00000
     55     -10.0800      1.00000
     56      -9.9180      1.00000
     57      -9.7072      1.00000
     58      -9.6688      1.00000
     59      -9.6121      1.00000
     60      -9.5819      1.00000
     61      -9.5447      1.00000
     62      -9.4791      1.00000
     63      -9.2946      1.00000
     64      -9.2765      1.00000
     65      -9.2299      1.00000
     66      -9.1754      1.00000
     67      -9.1099      1.00000
     68      -9.0750      1.00000
     69      -9.0645      1.00000
     70      -8.9049      1.00000
     71      -8.8468      1.00000
     72      -8.6047      1.00000
     73      -8.5652      1.00000
     74      -8.1225      1.00000
     75      -8.0438      1.00000
     76      -7.9510      1.00000
     77      -7.8307      1.00000
     78      -7.7924      1.00000
     79      -7.7275      1.00000
     80      -7.6932      1.00000
     81      -7.3480      1.00000
     82      -7.3338      1.00000
     83      -7.3257      1.00000
     84      -7.2697      1.00000
     85      -7.0655      1.00000
     86      -6.9828      1.00000
     87      -6.8250      1.00000
     88      -6.7507      1.00000
     89      -6.6425      1.00000
     90      -6.5643      1.00000
     91      -6.1383      1.00000
     92      -6.1028      1.00000
     93      -6.0942      1.00000
     94      -5.9661      1.00000
     95      -5.7343      1.00000
     96      -5.3969      1.00000
     97      -5.2078      1.00000
     98      -4.9392      1.00000
     99      -4.7987      1.00000
    100      -4.6381      1.00000
    101      -4.5373      1.00000
    102      -4.4844      1.00000
    103      -4.3638      1.00000
    104      -4.0450      1.00000
    105      -3.8148      1.00000
    106      -3.5717      1.00000
    107      -2.9431      0.00000
    108      -1.7189      0.00000
    109      -1.6760      0.00000
    110      -1.2930      0.00000
    111      -1.2728      0.00000
    112      -1.2458      0.00000
    113      -1.2125      0.00000
    114      -0.5597      0.00000
    115      -0.1926      0.00000
    116      -0.1696      0.00000
    117       0.6287      0.00000
    118       0.6755      0.00000
    119       0.7254      0.00000
    120       0.9862      0.00000
    121       1.1167      0.00000
    122       1.2416      0.00000
    123       1.3388      0.00000
    124       1.4425      0.00000
    125       1.4948      0.00000
    126       1.7379      0.00000
    127       1.7594      0.00000
    128       1.7975      0.00000
    129       1.8536      0.00000
    130       1.9497      0.00000
    131       2.1683      0.00000
    132       2.2085      0.00000
    133       2.2555      0.00000
    134       2.4272      0.00000
    135       2.5057      0.00000
    136       2.6031      0.00000
    137       2.6865      0.00000
    138       2.6944      0.00000
    139       2.7735      0.00000
    140       2.7952      0.00000
    141       2.8484      0.00000
    142       2.8543      0.00000
    143       2.9881      0.00000
    144       3.0558      0.00000
    145       3.2634      0.00000
    146       3.3501      0.00000
    147       3.3627      0.00000
    148       3.4412      0.00000
    149       3.5193      0.00000
    150       3.5711      0.00000
    151       3.6453      0.00000
    152       3.7189      0.00000
    153       3.7581      0.00000
    154       3.9260      0.00000
    155       3.9524      0.00000
    156       4.0318      0.00000
    157       4.0746      0.00000
    158       4.1565      0.00000
    159       4.2339      0.00000
    160       4.2657      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2226      1.00000
      2     -22.0312      1.00000
      3     -21.6711      1.00000
      4     -21.6424      1.00000
      5     -20.9275      1.00000
      6     -20.8977      1.00000
      7     -20.5671      1.00000
      8     -20.5330      1.00000
      9     -20.5242      1.00000
     10     -19.9910      1.00000
     11     -19.4661      1.00000
     12     -19.4374      1.00000
     13     -19.2744      1.00000
     14     -19.2546      1.00000
     15     -18.4049      1.00000
     16     -18.3682      1.00000
     17     -17.8947      1.00000
     18     -17.8657      1.00000
     19     -17.7166      1.00000
     20     -17.6828      1.00000
     21     -17.4071      1.00000
     22     -17.3841      1.00000
     23     -17.3043      1.00000
     24     -16.4331      1.00000
     25     -16.4128      1.00000
     26     -15.9174      1.00000
     27     -15.3893      1.00000
     28     -15.3595      1.00000
     29     -15.0732      1.00000
     30     -15.0456      1.00000
     31     -14.8373      1.00000
     32     -14.8031      1.00000
     33     -14.2518      1.00000
     34     -14.2162      1.00000
     35     -13.4100      1.00000
     36     -13.3625      1.00000
     37     -13.1602      1.00000
     38     -13.1305      1.00000
     39     -12.9362      1.00000
     40     -12.9261      1.00000
     41     -12.6026      1.00000
     42     -12.5703      1.00000
     43     -12.1685      1.00000
     44     -11.5639      1.00000
     45     -11.5039      1.00000
     46     -11.3011      1.00000
     47     -11.2506      1.00000
     48     -11.1200      1.00000
     49     -10.6822      1.00000
     50     -10.6322      1.00000
     51     -10.4478      1.00000
     52     -10.2863      1.00000
     53     -10.2745      1.00000
     54     -10.1607      1.00000
     55     -10.0838      1.00000
     56     -10.0707      1.00000
     57      -9.7890      1.00000
     58      -9.7369      1.00000
     59      -9.6950      1.00000
     60      -9.6745      1.00000
     61      -9.6582      1.00000
     62      -9.5982      1.00000
     63      -9.3384      1.00000
     64      -9.3192      1.00000
     65      -9.2885      1.00000
     66      -9.0297      1.00000
     67      -8.9314      1.00000
     68      -8.8416      1.00000
     69      -8.7615      1.00000
     70      -8.5923      1.00000
     71      -8.4960      1.00000
     72      -8.3700      1.00000
     73      -8.3632      1.00000
     74      -8.3037      1.00000
     75      -8.2443      1.00000
     76      -8.2414      1.00000
     77      -8.2246      1.00000
     78      -8.1967      1.00000
     79      -7.8756      1.00000
     80      -7.7447      1.00000
     81      -7.3690      1.00000
     82      -7.3157      1.00000
     83      -7.2982      1.00000
     84      -7.2064      1.00000
     85      -7.1794      1.00000
     86      -6.9499      1.00000
     87      -6.9314      1.00000
     88      -6.5937      1.00000
     89      -6.5383      1.00000
     90      -6.2657      1.00000
     91      -6.2010      1.00000
     92      -5.9816      1.00000
     93      -5.8153      1.00000
     94      -5.6687      1.00000
     95      -5.5141      1.00000
     96      -5.3309      1.00000
     97      -5.3052      1.00000
     98      -5.1927      1.00000
     99      -5.1896      1.00000
    100      -5.1083      1.00000
    101      -4.6896      1.00000
    102      -4.5489      1.00000
    103      -4.4501      1.00000
    104      -3.9150      1.00000
    105      -3.7079      1.00000
    106      -3.5371      1.00000
    107      -2.9654      0.00000
    108      -1.8174      0.00000
    109      -1.7621      0.00000
    110      -1.0856      0.00000
    111      -0.9724      0.00000
    112      -0.9414      0.00000
    113      -0.6472      0.00000
    114      -0.6063      0.00000
    115      -0.5693      0.00000
    116      -0.5307      0.00000
    117       0.1763      0.00000
    118       0.2566      0.00000
    119       0.7877      0.00000
    120       1.0051      0.00000
    121       1.1132      0.00000
    122       1.1677      0.00000
    123       1.3563      0.00000
    124       1.4784      0.00000
    125       1.5902      0.00000
    126       1.5951      0.00000
    127       1.6803      0.00000
    128       1.9035      0.00000
    129       1.9450      0.00000
    130       2.0254      0.00000
    131       2.1821      0.00000
    132       2.3417      0.00000
    133       2.3877      0.00000
    134       2.4084      0.00000
    135       2.5960      0.00000
    136       2.6825      0.00000
    137       2.7348      0.00000
    138       2.7728      0.00000
    139       2.8340      0.00000
    140       3.0008      0.00000
    141       3.0492      0.00000
    142       3.0793      0.00000
    143       3.1354      0.00000
    144       3.2548      0.00000
    145       3.3279      0.00000
    146       3.3845      0.00000
    147       3.4490      0.00000
    148       3.5390      0.00000
    149       3.5714      0.00000
    150       3.6005      0.00000
    151       3.6754      0.00000
    152       3.7004      0.00000
    153       3.7582      0.00000
    154       3.7820      0.00000
    155       3.7891      0.00000
    156       3.9319      0.00000
    157       3.9341      0.00000
    158       4.0298      0.00000
    159       4.1963      0.00000
    160       4.2573      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2596      1.00000
      2     -21.8881      1.00000
      3     -21.8755      1.00000
      4     -21.3265      1.00000
      5     -21.3154      1.00000
      6     -20.7707      1.00000
      7     -20.7559      1.00000
      8     -20.5783      1.00000
      9     -20.0308      1.00000
     10     -20.0276      1.00000
     11     -19.6710      1.00000
     12     -19.6575      1.00000
     13     -18.9489      1.00000
     14     -18.9483      1.00000
     15     -18.5941      1.00000
     16     -18.5934      1.00000
     17     -18.4174      1.00000
     18     -17.6415      1.00000
     19     -17.5872      1.00000
     20     -17.5646      1.00000
     21     -17.5594      1.00000
     22     -17.0743      1.00000
     23     -17.0727      1.00000
     24     -16.9220      1.00000
     25     -15.9551      1.00000
     26     -15.9041      1.00000
     27     -15.5482      1.00000
     28     -15.5307      1.00000
     29     -15.2679      1.00000
     30     -14.8177      1.00000
     31     -14.7944      1.00000
     32     -14.5401      1.00000
     33     -14.5094      1.00000
     34     -14.1327      1.00000
     35     -14.1288      1.00000
     36     -13.1049      1.00000
     37     -13.0407      1.00000
     38     -13.0164      1.00000
     39     -12.9867      1.00000
     40     -12.6749      1.00000
     41     -12.6733      1.00000
     42     -12.2887      1.00000
     43     -12.2822      1.00000
     44     -11.6532      1.00000
     45     -11.6014      1.00000
     46     -11.5402      1.00000
     47     -10.9411      1.00000
     48     -10.8923      1.00000
     49     -10.6363      1.00000
     50     -10.5961      1.00000
     51     -10.4758      1.00000
     52     -10.4657      1.00000
     53     -10.4057      1.00000
     54     -10.4027      1.00000
     55     -10.3127      1.00000
     56     -10.0393      1.00000
     57      -9.8759      1.00000
     58      -9.5828      1.00000
     59      -9.5188      1.00000
     60      -9.5025      1.00000
     61      -9.3801      1.00000
     62      -9.3701      1.00000
     63      -9.3390      1.00000
     64      -9.2941      1.00000
     65      -9.2423      1.00000
     66      -9.1710      1.00000
     67      -9.1283      1.00000
     68      -9.0837      1.00000
     69      -8.8463      1.00000
     70      -8.8261      1.00000
     71      -8.6809      1.00000
     72      -8.5742      1.00000
     73      -8.4193      1.00000
     74      -8.2001      1.00000
     75      -8.1534      1.00000
     76      -7.9754      1.00000
     77      -7.8826      1.00000
     78      -7.8190      1.00000
     79      -7.7915      1.00000
     80      -7.7660      1.00000
     81      -7.6752      1.00000
     82      -7.6204      1.00000
     83      -7.4093      1.00000
     84      -7.3507      1.00000
     85      -6.8998      1.00000
     86      -6.8924      1.00000
     87      -6.7303      1.00000
     88      -6.6471      1.00000
     89      -6.4081      1.00000
     90      -6.3302      1.00000
     91      -6.2897      1.00000
     92      -6.1850      1.00000
     93      -5.9724      1.00000
     94      -5.5808      1.00000
     95      -5.4780      1.00000
     96      -5.4115      1.00000
     97      -5.3705      1.00000
     98      -5.1934      1.00000
     99      -5.1073      1.00000
    100      -4.7534      1.00000
    101      -4.7032      1.00000
    102      -4.5694      1.00000
    103      -4.4181      1.00000
    104      -4.2015      1.00000
    105      -3.5553      1.00000
    106      -3.3957      1.00000
    107      -3.0483      0.00000
    108      -2.1028      0.00000
    109      -1.2462      0.00000
    110      -1.2040      0.00000
    111      -1.1753      0.00000
    112      -0.9324      0.00000
    113      -0.8329      0.00000
    114      -0.7840      0.00000
    115      -0.7016      0.00000
    116       0.1955      0.00000
    117       0.2010      0.00000
    118       0.3059      0.00000
    119       0.7659      0.00000
    120       0.8220      0.00000
    121       0.9134      0.00000
    122       1.1184      0.00000
    123       1.3260      0.00000
    124       1.5063      0.00000
    125       1.5774      0.00000
    126       1.8082      0.00000
    127       1.8344      0.00000
    128       1.8702      0.00000
    129       1.9637      0.00000
    130       1.9786      0.00000
    131       2.2501      0.00000
    132       2.4048      0.00000
    133       2.4050      0.00000
    134       2.4247      0.00000
    135       2.5564      0.00000
    136       2.5825      0.00000
    137       2.6284      0.00000
    138       2.7144      0.00000
    139       2.7319      0.00000
    140       2.9579      0.00000
    141       3.0508      0.00000
    142       3.1243      0.00000
    143       3.1866      0.00000
    144       3.2270      0.00000
    145       3.2281      0.00000
    146       3.3062      0.00000
    147       3.3286      0.00000
    148       3.5127      0.00000
    149       3.5144      0.00000
    150       3.6226      0.00000
    151       3.6960      0.00000
    152       3.7188      0.00000
    153       3.7962      0.00000
    154       3.9274      0.00000
    155       3.9782      0.00000
    156       3.9803      0.00000
    157       3.9904      0.00000
    158       4.0040      0.00000
    159       4.0308      0.00000
    160       4.1382      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1277      1.00000
      2     -22.0891      1.00000
      3     -21.9180      1.00000
      4     -21.3587      1.00000
      5     -21.0037      1.00000
      6     -20.9681      1.00000
      7     -20.4522      1.00000
      8     -20.4146      1.00000
      9     -20.2608      1.00000
     10     -20.2309      1.00000
     11     -19.9006      1.00000
     12     -19.8629      1.00000
     13     -18.8279      1.00000
     14     -18.7845      1.00000
     15     -18.3111      1.00000
     16     -18.2606      1.00000
     17     -18.1211      1.00000
     18     -18.0921      1.00000
     19     -17.7850      1.00000
     20     -17.7459      1.00000
     21     -17.2246      1.00000
     22     -17.1953      1.00000
     23     -17.1317      1.00000
     24     -17.0940      1.00000
     25     -16.0577      1.00000
     26     -15.8593      1.00000
     27     -15.8217      1.00000
     28     -15.7902      1.00000
     29     -15.2084      1.00000
     30     -14.5305      1.00000
     31     -14.4849      1.00000
     32     -14.2531      1.00000
     33     -13.9286      1.00000
     34     -13.9172      1.00000
     35     -13.7911      1.00000
     36     -13.7633      1.00000
     37     -13.5824      1.00000
     38     -13.5338      1.00000
     39     -13.3228      1.00000
     40     -12.5843      1.00000
     41     -12.1756      1.00000
     42     -12.1007      1.00000
     43     -12.0353      1.00000
     44     -11.9904      1.00000
     45     -11.6552      1.00000
     46     -11.6201      1.00000
     47     -11.1386      1.00000
     48     -11.0834      1.00000
     49     -10.7817      1.00000
     50     -10.7056      1.00000
     51     -10.4038      1.00000
     52     -10.1915      1.00000
     53     -10.1679      1.00000
     54     -10.1259      1.00000
     55      -9.9938      1.00000
     56      -9.9816      1.00000
     57      -9.9401      1.00000
     58      -9.7955      1.00000
     59      -9.7678      1.00000
     60      -9.7422      1.00000
     61      -9.7206      1.00000
     62      -9.4392      1.00000
     63      -9.3354      1.00000
     64      -9.0896      1.00000
     65      -9.0418      1.00000
     66      -9.0040      1.00000
     67      -8.8915      1.00000
     68      -8.8254      1.00000
     69      -8.7082      1.00000
     70      -8.6639      1.00000
     71      -8.5678      1.00000
     72      -8.5088      1.00000
     73      -8.4731      1.00000
     74      -8.4365      1.00000
     75      -8.3320      1.00000
     76      -8.1981      1.00000
     77      -8.0662      1.00000
     78      -7.9803      1.00000
     79      -7.9090      1.00000
     80      -7.8800      1.00000
     81      -7.6951      1.00000
     82      -7.5620      1.00000
     83      -7.4941      1.00000
     84      -6.9784      1.00000
     85      -6.9083      1.00000
     86      -6.8585      1.00000
     87      -6.7410      1.00000
     88      -6.5207      1.00000
     89      -6.4688      1.00000
     90      -6.3794      1.00000
     91      -6.1923      1.00000
     92      -5.9294      1.00000
     93      -5.7963      1.00000
     94      -5.7497      1.00000
     95      -5.5570      1.00000
     96      -5.3760      1.00000
     97      -5.2436      1.00000
     98      -5.1960      1.00000
     99      -5.1816      1.00000
    100      -5.1229      1.00000
    101      -4.8095      1.00000
    102      -4.5391      1.00000
    103      -4.4560      1.00000
    104      -4.2455      1.00000
    105      -3.5563      1.00000
    106      -3.2896      1.00000
    107      -2.9385      0.00000
    108      -2.3435      0.00000
    109      -1.1827      0.00000
    110      -1.1641      0.00000
    111      -1.1155      0.00000
    112      -1.0587      0.00000
    113      -0.5031      0.00000
    114      -0.4565      0.00000
    115      -0.2981      0.00000
    116      -0.2726      0.00000
    117       0.0008      0.00000
    118       0.0355      0.00000
    119       0.5319      0.00000
    120       0.6424      0.00000
    121       0.8822      0.00000
    122       0.9783      0.00000
    123       1.1881      0.00000
    124       1.5320      0.00000
    125       1.7584      0.00000
    126       1.7771      0.00000
    127       2.0059      0.00000
    128       2.1113      0.00000
    129       2.1313      0.00000
    130       2.1445      0.00000
    131       2.2592      0.00000
    132       2.3073      0.00000
    133       2.3545      0.00000
    134       2.4602      0.00000
    135       2.6669      0.00000
    136       2.7553      0.00000
    137       2.7968      0.00000
    138       2.8795      0.00000
    139       2.9589      0.00000
    140       2.9946      0.00000
    141       3.0520      0.00000
    142       3.1075      0.00000
    143       3.1609      0.00000
    144       3.2322      0.00000
    145       3.2630      0.00000
    146       3.2951      0.00000
    147       3.3252      0.00000
    148       3.3476      0.00000
    149       3.3955      0.00000
    150       3.5324      0.00000
    151       3.6072      0.00000
    152       3.6649      0.00000
    153       3.6901      0.00000
    154       3.7064      0.00000
    155       3.7276      0.00000
    156       3.7883      0.00000
    157       3.9567      0.00000
    158       4.0561      0.00000
    159       4.1305      0.00000
    160       4.2593      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2592      1.00000
      2     -21.9008      1.00000
      3     -21.8629      1.00000
      4     -21.3381      1.00000
      5     -21.3028      1.00000
      6     -20.7828      1.00000
      7     -20.7447      1.00000
      8     -20.5785      1.00000
      9     -20.0473      1.00000
     10     -20.0118      1.00000
     11     -19.6808      1.00000
     12     -19.6462      1.00000
     13     -18.9682      1.00000
     14     -18.9308      1.00000
     15     -18.6123      1.00000
     16     -18.5748      1.00000
     17     -18.4182      1.00000
     18     -17.6324      1.00000
     19     -17.5884      1.00000
     20     -17.5667      1.00000
     21     -17.5497      1.00000
     22     -17.0980      1.00000
     23     -17.0556      1.00000
     24     -16.9373      1.00000
     25     -15.9806      1.00000
     26     -15.8701      1.00000
     27     -15.5675      1.00000
     28     -15.5283      1.00000
     29     -15.2322      1.00000
     30     -14.8492      1.00000
     31     -14.7912      1.00000
     32     -14.5386      1.00000
     33     -14.5011      1.00000
     34     -14.1280      1.00000
     35     -14.1162      1.00000
     36     -13.1552      1.00000
     37     -13.0504      1.00000
     38     -12.9972      1.00000
     39     -12.9769      1.00000
     40     -12.7002      1.00000
     41     -12.6547      1.00000
     42     -12.2982      1.00000
     43     -12.2775      1.00000
     44     -11.6184      1.00000
     45     -11.5857      1.00000
     46     -11.5261      1.00000
     47     -10.9228      1.00000
     48     -10.8956      1.00000
     49     -10.7120      1.00000
     50     -10.5672      1.00000
     51     -10.5338      1.00000
     52     -10.4649      1.00000
     53     -10.4258      1.00000
     54     -10.3667      1.00000
     55     -10.3161      1.00000
     56     -10.0340      1.00000
     57      -9.8703      1.00000
     58      -9.6025      1.00000
     59      -9.5237      1.00000
     60      -9.4550      1.00000
     61      -9.4018      1.00000
     62      -9.3736      1.00000
     63      -9.3428      1.00000
     64      -9.2975      1.00000
     65      -9.2453      1.00000
     66      -9.1338      1.00000
     67      -9.0877      1.00000
     68      -9.0713      1.00000
     69      -8.8515      1.00000
     70      -8.8312      1.00000
     71      -8.7030      1.00000
     72      -8.5602      1.00000
     73      -8.4377      1.00000
     74      -8.1984      1.00000
     75      -8.1681      1.00000
     76      -8.0401      1.00000
     77      -7.8671      1.00000
     78      -7.8046      1.00000
     79      -7.7714      1.00000
     80      -7.7175      1.00000
     81      -7.6807      1.00000
     82      -7.6410      1.00000
     83      -7.4469      1.00000
     84      -7.3081      1.00000
     85      -6.9198      1.00000
     86      -6.8866      1.00000
     87      -6.7759      1.00000
     88      -6.5573      1.00000
     89      -6.3897      1.00000
     90      -6.3222      1.00000
     91      -6.2772      1.00000
     92      -6.1692      1.00000
     93      -6.0676      1.00000
     94      -5.7831      1.00000
     95      -5.5318      1.00000
     96      -5.3568      1.00000
     97      -5.2048      1.00000
     98      -5.1778      1.00000
     99      -5.0299      1.00000
    100      -4.8137      1.00000
    101      -4.6687      1.00000
    102      -4.4925      1.00000
    103      -4.4301      1.00000
    104      -4.2368      1.00000
    105      -3.6317      1.00000
    106      -3.5476      1.00000
    107      -2.8442      0.00000
    108      -2.1356      0.00000
    109      -1.2455      0.00000
    110      -1.1893      0.00000
    111      -1.1782      0.00000
    112      -0.8866      0.00000
    113      -0.8670      0.00000
    114      -0.7863      0.00000
    115      -0.7533      0.00000
    116       0.1436      0.00000
    117       0.2448      0.00000
    118       0.3168      0.00000
    119       0.7188      0.00000
    120       0.8574      0.00000
    121       0.9364      0.00000
    122       1.1650      0.00000
    123       1.2591      0.00000
    124       1.5195      0.00000
    125       1.5737      0.00000
    126       1.7983      0.00000
    127       1.8822      0.00000
    128       1.8838      0.00000
    129       1.9626      0.00000
    130       2.0476      0.00000
    131       2.2198      0.00000
    132       2.3324      0.00000
    133       2.4234      0.00000
    134       2.4372      0.00000
    135       2.5765      0.00000
    136       2.6072      0.00000
    137       2.6645      0.00000
    138       2.7154      0.00000
    139       2.7505      0.00000
    140       2.8896      0.00000
    141       3.0369      0.00000
    142       3.1346      0.00000
    143       3.1940      0.00000
    144       3.2159      0.00000
    145       3.2363      0.00000
    146       3.2786      0.00000
    147       3.3230      0.00000
    148       3.4409      0.00000
    149       3.5370      0.00000
    150       3.6050      0.00000
    151       3.6941      0.00000
    152       3.7058      0.00000
    153       3.8543      0.00000
    154       3.9013      0.00000
    155       3.9264      0.00000
    156       3.9574      0.00000
    157       4.0055      0.00000
    158       4.0085      0.00000
    159       4.0442      0.00000
    160       4.0858      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3342      1.00000
      2     -21.7738      1.00000
      3     -21.5926      1.00000
      4     -21.5684      1.00000
      5     -21.2235      1.00000
      6     -21.1946      1.00000
      7     -21.0192      1.00000
      8     -20.1191      1.00000
      9     -20.0880      1.00000
     10     -19.5755      1.00000
     11     -19.5425      1.00000
     12     -19.3734      1.00000
     13     -19.0600      1.00000
     14     -19.0207      1.00000
     15     -19.0038      1.00000
     16     -18.9865      1.00000
     17     -18.3325      1.00000
     18     -18.3027      1.00000
     19     -17.9748      1.00000
     20     -17.0238      1.00000
     21     -16.9837      1.00000
     22     -16.9251      1.00000
     23     -16.8996      1.00000
     24     -16.4536      1.00000
     25     -16.4184      1.00000
     26     -15.5757      1.00000
     27     -15.5469      1.00000
     28     -15.2044      1.00000
     29     -15.1830      1.00000
     30     -15.1635      1.00000
     31     -15.0832      1.00000
     32     -15.0304      1.00000
     33     -14.6699      1.00000
     34     -14.6425      1.00000
     35     -13.7038      1.00000
     36     -13.6707      1.00000
     37     -13.2087      1.00000
     38     -12.6388      1.00000
     39     -12.5399      1.00000
     40     -12.4267      1.00000
     41     -12.4049      1.00000
     42     -12.0744      1.00000
     43     -12.0521      1.00000
     44     -11.6757      1.00000
     45     -11.6436      1.00000
     46     -11.2858      1.00000
     47     -11.1851      1.00000
     48     -10.9965      1.00000
     49     -10.9659      1.00000
     50     -10.8877      1.00000
     51     -10.8552      1.00000
     52     -10.5617      1.00000
     53     -10.2066      1.00000
     54     -10.1170      1.00000
     55     -10.0610      1.00000
     56      -9.8897      1.00000
     57      -9.6632      1.00000
     58      -9.6627      1.00000
     59      -9.6265      1.00000
     60      -9.6000      1.00000
     61      -9.5315      1.00000
     62      -9.4737      1.00000
     63      -9.3139      1.00000
     64      -9.2665      1.00000
     65      -9.2193      1.00000
     66      -9.1935      1.00000
     67      -9.0966      1.00000
     68      -9.0913      1.00000
     69      -9.0691      1.00000
     70      -8.9032      1.00000
     71      -8.8357      1.00000
     72      -8.5717      1.00000
     73      -8.5591      1.00000
     74      -8.1719      1.00000
     75      -8.0114      1.00000
     76      -7.9498      1.00000
     77      -7.8817      1.00000
     78      -7.7761      1.00000
     79      -7.7285      1.00000
     80      -7.7152      1.00000
     81      -7.4031      1.00000
     82      -7.2842      1.00000
     83      -7.2443      1.00000
     84      -7.2179      1.00000
     85      -7.1529      1.00000
     86      -6.9661      1.00000
     87      -6.8565      1.00000
     88      -6.6939      1.00000
     89      -6.6619      1.00000
     90      -6.5857      1.00000
     91      -6.1605      1.00000
     92      -6.0880      1.00000
     93      -6.0710      1.00000
     94      -5.9083      1.00000
     95      -5.8825      1.00000
     96      -5.3763      1.00000
     97      -5.1912      1.00000
     98      -4.8726      1.00000
     99      -4.8561      1.00000
    100      -4.6466      1.00000
    101      -4.5228      1.00000
    102      -4.3904      1.00000
    103      -4.2654      1.00000
    104      -4.0639      1.00000
    105      -4.0388      1.00000
    106      -3.5660      1.00000
    107      -2.8655      0.00000
    108      -1.7038      0.00000
    109      -1.6992      0.00000
    110      -1.3069      0.00000
    111      -1.2617      0.00000
    112      -1.2307      0.00000
    113      -1.2289      0.00000
    114      -0.5682      0.00000
    115      -0.2543      0.00000
    116      -0.1135      0.00000
    117       0.5840      0.00000
    118       0.6726      0.00000
    119       0.8097      0.00000
    120       0.9575      0.00000
    121       1.1394      0.00000
    122       1.2039      0.00000
    123       1.2803      0.00000
    124       1.4506      0.00000
    125       1.6177      0.00000
    126       1.6857      0.00000
    127       1.7693      0.00000
    128       1.7768      0.00000
    129       1.9136      0.00000
    130       1.9371      0.00000
    131       2.1816      0.00000
    132       2.1937      0.00000
    133       2.2313      0.00000
    134       2.4696      0.00000
    135       2.4995      0.00000
    136       2.5872      0.00000
    137       2.6346      0.00000
    138       2.7074      0.00000
    139       2.8107      0.00000
    140       2.8202      0.00000
    141       2.8608      0.00000
    142       2.9477      0.00000
    143       2.9748      0.00000
    144       3.0173      0.00000
    145       3.1356      0.00000
    146       3.3427      0.00000
    147       3.3727      0.00000
    148       3.4163      0.00000
    149       3.5826      0.00000
    150       3.6047      0.00000
    151       3.6343      0.00000
    152       3.6664      0.00000
    153       3.7798      0.00000
    154       3.7957      0.00000
    155       3.9982      0.00000
    156       4.0315      0.00000
    157       4.0458      0.00000
    158       4.1177      0.00000
    159       4.2295      0.00000
    160       4.3435      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1177      1.00000
      2     -22.1013      1.00000
      3     -21.9159      1.00000
      4     -21.3585      1.00000
      5     -20.9916      1.00000
      6     -20.9808      1.00000
      7     -20.4399      1.00000
      8     -20.4272      1.00000
      9     -20.2479      1.00000
     10     -20.2455      1.00000
     11     -19.8879      1.00000
     12     -19.8737      1.00000
     13     -18.8214      1.00000
     14     -18.7947      1.00000
     15     -18.2844      1.00000
     16     -18.2783      1.00000
     17     -18.1120      1.00000
     18     -18.1061      1.00000
     19     -17.7662      1.00000
     20     -17.7617      1.00000
     21     -17.2287      1.00000
     22     -17.2013      1.00000
     23     -17.1168      1.00000
     24     -17.0978      1.00000
     25     -16.0915      1.00000
     26     -15.8320      1.00000
     27     -15.8214      1.00000
     28     -15.8035      1.00000
     29     -15.1844      1.00000
     30     -14.5101      1.00000
     31     -14.4974      1.00000
     32     -14.2294      1.00000
     33     -13.9635      1.00000
     34     -13.9265      1.00000
     35     -13.7900      1.00000
     36     -13.7774      1.00000
     37     -13.5593      1.00000
     38     -13.5398      1.00000
     39     -13.3297      1.00000
     40     -12.6106      1.00000
     41     -12.1293      1.00000
     42     -12.1178      1.00000
     43     -12.0063      1.00000
     44     -11.9887      1.00000
     45     -11.6528      1.00000
     46     -11.6388      1.00000
     47     -11.1375      1.00000
     48     -11.1010      1.00000
     49     -10.7581      1.00000
     50     -10.6994      1.00000
     51     -10.4410      1.00000
     52     -10.1741      1.00000
     53     -10.1661      1.00000
     54     -10.1495      1.00000
     55     -10.0031      1.00000
     56      -9.9643      1.00000
     57      -9.9367      1.00000
     58      -9.8137      1.00000
     59      -9.7664      1.00000
     60      -9.7429      1.00000
     61      -9.7293      1.00000
     62      -9.4296      1.00000
     63      -9.3318      1.00000
     64      -9.0779      1.00000
     65      -9.0408      1.00000
     66      -8.9679      1.00000
     67      -8.9404      1.00000
     68      -8.8011      1.00000
     69      -8.6840      1.00000
     70      -8.6682      1.00000
     71      -8.5442      1.00000
     72      -8.5128      1.00000
     73      -8.4438      1.00000
     74      -8.4378      1.00000
     75      -8.2992      1.00000
     76      -8.2312      1.00000
     77      -8.1106      1.00000
     78      -8.0489      1.00000
     79      -8.0248      1.00000
     80      -7.7895      1.00000
     81      -7.6002      1.00000
     82      -7.5927      1.00000
     83      -7.4595      1.00000
     84      -7.0040      1.00000
     85      -6.9499      1.00000
     86      -6.8638      1.00000
     87      -6.5732      1.00000
     88      -6.5399      1.00000
     89      -6.4586      1.00000
     90      -6.4051      1.00000
     91      -6.3293      1.00000
     92      -5.9851      1.00000
     93      -5.7690      1.00000
     94      -5.7279      1.00000
     95      -5.5594      1.00000
     96      -5.3795      1.00000
     97      -5.2050      1.00000
     98      -5.1997      1.00000
     99      -5.1780      1.00000
    100      -5.1561      1.00000
    101      -4.6482      1.00000
    102      -4.5013      1.00000
    103      -4.4404      1.00000
    104      -4.3845      1.00000
    105      -3.5729      1.00000
    106      -3.4308      1.00000
    107      -2.7328      0.00000
    108      -2.4085      0.00000
    109      -1.1655      0.00000
    110      -1.1582      0.00000
    111      -1.1470      0.00000
    112      -1.0513      0.00000
    113      -0.4888      0.00000
    114      -0.4784      0.00000
    115      -0.3231      0.00000
    116      -0.2461      0.00000
    117       0.0050      0.00000
    118       0.0072      0.00000
    119       0.5226      0.00000
    120       0.6645      0.00000
    121       0.8193      0.00000
    122       1.0051      0.00000
    123       1.2421      0.00000
    124       1.4988      0.00000
    125       1.7621      0.00000
    126       1.9576      0.00000
    127       1.9579      0.00000
    128       2.0270      0.00000
    129       2.0904      0.00000
    130       2.1783      0.00000
    131       2.2885      0.00000
    132       2.2934      0.00000
    133       2.3558      0.00000
    134       2.5590      0.00000
    135       2.6350      0.00000
    136       2.6826      0.00000
    137       2.8500      0.00000
    138       2.8887      0.00000
    139       2.9630      0.00000
    140       2.9751      0.00000
    141       3.1265      0.00000
    142       3.1424      0.00000
    143       3.1446      0.00000
    144       3.1817      0.00000
    145       3.2431      0.00000
    146       3.2471      0.00000
    147       3.3355      0.00000
    148       3.3547      0.00000
    149       3.4057      0.00000
    150       3.4140      0.00000
    151       3.5120      0.00000
    152       3.6293      0.00000
    153       3.6826      0.00000
    154       3.6975      0.00000
    155       3.8368      0.00000
    156       3.9115      0.00000
    157       3.9655      0.00000
    158       3.9917      0.00000
    159       4.1139      0.00000
    160       4.2028      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2216      1.00000
      2     -22.0336      1.00000
      3     -21.6683      1.00000
      4     -21.6431      1.00000
      5     -20.9277      1.00000
      6     -20.8979      1.00000
      7     -20.5582      1.00000
      8     -20.5388      1.00000
      9     -20.5279      1.00000
     10     -19.9918      1.00000
     11     -19.4654      1.00000
     12     -19.4340      1.00000
     13     -19.2799      1.00000
     14     -19.2538      1.00000
     15     -18.3999      1.00000
     16     -18.3686      1.00000
     17     -17.8965      1.00000
     18     -17.8655      1.00000
     19     -17.7153      1.00000
     20     -17.6818      1.00000
     21     -17.4118      1.00000
     22     -17.3821      1.00000
     23     -17.2960      1.00000
     24     -16.4528      1.00000
     25     -16.4132      1.00000
     26     -15.9366      1.00000
     27     -15.3787      1.00000
     28     -15.3503      1.00000
     29     -15.0672      1.00000
     30     -15.0369      1.00000
     31     -14.8105      1.00000
     32     -14.7904      1.00000
     33     -14.2858      1.00000
     34     -14.2158      1.00000
     35     -13.4427      1.00000
     36     -13.3616      1.00000
     37     -13.1527      1.00000
     38     -13.1202      1.00000
     39     -12.9608      1.00000
     40     -12.9310      1.00000
     41     -12.5868      1.00000
     42     -12.5587      1.00000
     43     -12.1750      1.00000
     44     -11.5333      1.00000
     45     -11.4974      1.00000
     46     -11.2722      1.00000
     47     -11.2435      1.00000
     48     -11.1320      1.00000
     49     -10.7645      1.00000
     50     -10.6257      1.00000
     51     -10.4487      1.00000
     52     -10.2821      1.00000
     53     -10.2763      1.00000
     54     -10.1657      1.00000
     55     -10.0883      1.00000
     56     -10.0554      1.00000
     57      -9.8052      1.00000
     58      -9.7047      1.00000
     59      -9.6915      1.00000
     60      -9.6849      1.00000
     61      -9.6702      1.00000
     62      -9.6042      1.00000
     63      -9.3450      1.00000
     64      -9.3174      1.00000
     65      -9.2844      1.00000
     66      -8.9687      1.00000
     67      -8.9303      1.00000
     68      -8.8789      1.00000
     69      -8.7470      1.00000
     70      -8.5577      1.00000
     71      -8.4825      1.00000
     72      -8.4000      1.00000
     73      -8.3592      1.00000
     74      -8.2863      1.00000
     75      -8.2407      1.00000
     76      -8.2241      1.00000
     77      -8.2088      1.00000
     78      -8.1919      1.00000
     79      -7.9962      1.00000
     80      -7.7796      1.00000
     81      -7.4145      1.00000
     82      -7.3197      1.00000
     83      -7.2403      1.00000
     84      -7.1400      1.00000
     85      -7.0949      1.00000
     86      -6.9556      1.00000
     87      -6.9084      1.00000
     88      -6.5827      1.00000
     89      -6.5588      1.00000
     90      -6.4337      1.00000
     91      -6.2452      1.00000
     92      -5.9035      1.00000
     93      -5.8224      1.00000
     94      -5.6747      1.00000
     95      -5.5836      1.00000
     96      -5.2951      1.00000
     97      -5.2601      1.00000
     98      -5.1844      1.00000
     99      -5.1840      1.00000
    100      -5.1602      1.00000
    101      -4.5209      1.00000
    102      -4.4553      1.00000
    103      -4.3971      1.00000
    104      -4.0755      1.00000
    105      -3.9270      1.00000
    106      -3.5191      1.00000
    107      -2.8150      0.00000
    108      -1.8055      0.00000
    109      -1.7928      0.00000
    110      -1.0790      0.00000
    111      -1.0100      0.00000
    112      -0.9259      0.00000
    113      -0.6545      0.00000
    114      -0.6056      0.00000
    115      -0.5709      0.00000
    116      -0.5271      0.00000
    117       0.1598      0.00000
    118       0.2622      0.00000
    119       0.7096      0.00000
    120       0.9739      0.00000
    121       1.0942      0.00000
    122       1.2575      0.00000
    123       1.4237      0.00000
    124       1.5335      0.00000
    125       1.6006      0.00000
    126       1.6259      0.00000
    127       1.6496      0.00000
    128       1.8426      0.00000
    129       1.9326      0.00000
    130       2.1096      0.00000
    131       2.2023      0.00000
    132       2.3391      0.00000
    133       2.3719      0.00000
    134       2.4693      0.00000
    135       2.6016      0.00000
    136       2.6609      0.00000
    137       2.7307      0.00000
    138       2.7414      0.00000
    139       2.8475      0.00000
    140       2.9541      0.00000
    141       3.0483      0.00000
    142       3.0717      0.00000
    143       3.1880      0.00000
    144       3.2858      0.00000
    145       3.3332      0.00000
    146       3.3402      0.00000
    147       3.4689      0.00000
    148       3.5266      0.00000
    149       3.5620      0.00000
    150       3.6006      0.00000
    151       3.6158      0.00000
    152       3.6900      0.00000
    153       3.7316      0.00000
    154       3.7668      0.00000
    155       3.7725      0.00000
    156       3.8466      0.00000
    157       3.9257      0.00000
    158       4.0060      0.00000
    159       4.0314      0.00000
    160       4.2757      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0448   -6.8591    2.8557   -0.4770   -0.0181   17.1416    0.0982   -0.0756    0.1198   -0.2120
x    -3.1505   -0.0333   -0.0584    0.0252    0.0333   -3.0238    0.0205   -0.0017   -0.0001    0.0000
x    -0.0932   -0.0011    0.0020   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    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   -0.0034    0.0000    0.0011    0.0005    0.0034   -0.0982   -0.0410    0.0697    0.0107
y     0.0436   -3.2491   -0.0983    0.2028   -2.4408   -0.6645
z   204.0448    1.9856    0.0138   -0.0680    0.0180    0.0774   -0.0028   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0614    0.0082    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8166
z    -0.5093    0.0401    0.0748    0.1446   -0.0976   -0.0018
 total charge-density along one line
x   212.0000   -9.6870    4.7906   -1.2800   -0.2535   19.0850   -1.1252    1.0508   -0.6830    0.2215
x    -2.7490   -0.0175   -0.0409    0.0178    0.0340   -2.3072    0.0198    0.0019   -0.0030   -0.0008
x    -0.0822    0.0012   -0.0020    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6870    4.7906   -1.2800   -0.2535   19.0851   -1.1252    1.0508   -0.6830    0.2215
y    -2.7490   -0.0175   -0.0409    0.0178    0.0340   -2.3072    0.0198    0.0019   -0.0030   -0.0008
y    -0.0822    0.0012   -0.0020    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6777  189.4283 -169.4359  151.1849 -136.5183  123.8016 -110.3282   94.7246  -77.7574
z    61.4858  -47.7906   37.3910  -29.8051   23.9878  -19.0497   14.6152  -10.7425    7.6214   -5.3196
z     3.7157   -2.5869    1.7348   -1.0521    0.5112   -0.1147   -0.1441    0.2906   -0.3579    0.3746
z    -0.3621    0.3367   -0.3106    0.2897   -0.2720    0.2502   -0.2188    0.1787   -0.1369    0.1023
z    -0.0795    0.0670   -0.0594    0.0517   -0.0421    0.0320   -0.0237    0.0184   -0.0157    0.0141
z    -0.0126    0.0108   -0.0088    0.0069   -0.0052    0.0039   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.003   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.060  -0.012   0.000   0.260
  0.000  -0.003   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.060   0.000 -11.149  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.032   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.003   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.060  -0.012   0.000   0.260
  0.000  -0.003   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.060   0.000 -11.149  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.032   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.701   0.000   0.288   0.000   0.163   0.280   0.000  -0.305   0.000  -0.196   0.085  -0.071   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.268   0.000   0.298   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.069   0.037   0.000  -0.053   0.000   0.000
  0.280   0.000  -0.268   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.110   0.321  -0.103   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.298   0.000   0.182  -0.122   0.000   0.428   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.170   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.196   0.000   0.158   0.000   0.063  -0.110   0.000   0.069   0.000   0.090  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.069   0.321   0.000   0.148   0.000  -0.178   1.140  -0.353   0.000  -0.139   0.000   0.000
 -0.071   0.000   0.135   0.000   0.037  -0.103   0.000  -0.138   0.000   0.061  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.175  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.139   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.175   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.007   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.784
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.644
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.784   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.776   0.000   2.640
 17        0.849   1.732   0.000   2.580
 18        0.864   1.789   0.000   2.653
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.768   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.864   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.784   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.864   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.784   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.768   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.784   0.000   2.649
 40        0.864   1.789   0.000   2.653
 41        0.849   1.732   0.000   2.580
 42        0.865   1.776   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.644
 50        0.864   1.782   0.000   2.646
 51        0.864   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.793  89.406   7.854 142.053
 


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


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


    CHARGE:  VPU time  113.78: CPU time   57.49
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  441.87: CPU time  221.61
    STRESS:  VPU time 1330.74: CPU time  669.22
    FORCOR:  VPU time    8.64: CPU time    8.64
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.4384502E-04[-0.101E-03, 0.189E-03]  d Energy = 0.5533500E-04-0.115E-04
 d Force =-0.1178743E+00[-0.118E+00,-0.118E+00]  d Ewald  = 0.1770246E+01-0.189E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648633 eV

  energy  without entropy=     -469.648633  energy(sigma->0) =     -469.648633
 

  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    40936.53  40981.57 -47642.21     39.01      0.00      0.00
  Hartree  40394.63  40419.37 -39643.15     21.43      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.30      0.00      0.00
  Local   -83621.91 -83689.32  84597.99    -58.38      0.00      0.00
  n-local   -214.72   -206.84   -206.58      5.94      0.00      0.00
  augment     21.82     19.27     20.59     -2.20      0.00      0.00
  Kinetic   3165.33   3163.75   3585.95     -7.82      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.46     -0.35     -0.47      0.10      0.00      0.00
  in kB       -0.28     -0.21     -0.28      0.06      0.00      0.00
  external pressure =       -0.26 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342637880 -0.002573486  0.000000000     0.081029717  0.046805127  0.000000000
    -6.173554283 10.687747040  0.000000000     0.000019511  0.093576359  0.000000000
     0.000000000  0.000000000 20.000604513     0.000000000  0.000000000  0.049998489

  length of vectors
    12.342638148 12.342637857 20.000604513     0.093576359  0.093576361  0.049998489


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.887E-05 -.309E-04 -.110E+04   0.446E-05 -.262E-04 0.110E+04   0.254E-20 -.339E-20 0.368E+01   0.472E-06 -.282E-06 0.496E-02
   -.268E+02 -.463E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.197E+00   0.146E-04 0.230E-04 0.128E-02
   0.268E+02 0.463E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.197E+00   -.145E-04 -.230E-04 0.128E-02
   -.211E+01 0.122E+01 0.308E+02   0.205E+01 -.118E+01 -.308E+02   0.517E-01 -.298E-01 0.727E-02   0.743E-02 -.429E-02 0.271E-04
   0.653E+01 0.659E+01 0.343E+02   -.650E+01 -.657E+01 -.343E+02   -.342E-01 -.128E-01 -.431E-01   0.790E-02 -.311E-02 -.225E-03
   0.117E+02 0.586E+01 0.251E+02   -.117E+02 -.587E+01 -.250E+02   -.588E-01 0.193E-01 -.119E+00   0.377E-02 -.254E-02 0.130E-02
   0.432E+01 -.110E+01 0.209E+02   -.433E+01 0.111E+01 -.209E+02   -.467E-02 0.325E-03 0.155E-01   0.162E-02 -.709E-03 0.131E-02
   -.287E+01 -.258E+01 0.220E+02   0.287E+01 0.257E+01 -.221E+02   -.645E-02 0.203E-01 0.202E-01   0.519E-02 -.136E-02 0.275E-02
   0.797E+00 0.378E+01 0.220E+02   -.791E+00 -.377E+01 -.221E+02   -.208E-01 -.458E-02 0.202E-01   0.377E-02 -.382E-02 0.274E-02
   0.288E+01 0.186E+02 0.369E+02   -.292E+01 -.186E+02 -.369E+02   0.314E-01 -.175E-01 -.214E-01   0.585E-02 0.316E-02 -.699E-04
   0.204E+02 0.224E+02 0.461E+02   -.204E+02 -.225E+02 -.458E+02   -.196E-02 0.116E+00 -.324E+00   0.762E-02 -.339E-02 -.587E-02
   0.273E+02 -.583E+01 0.229E+02   -.274E+02 0.590E+01 -.229E+02   0.895E-01 -.600E-01 0.978E-02   0.103E-01 -.184E-02 0.153E-02
   0.969E+01 -.559E+01 0.157E+02   -.964E+01 0.557E+01 -.157E+02   -.590E-01 0.341E-01 0.431E-01   0.558E-02 -.323E-02 0.320E-02
   0.311E+01 -.319E+01 0.209E+02   -.313E+01 0.319E+01 -.209E+02   -.262E-02 0.388E-02 0.155E-01   0.142E-02 -.106E-02 0.130E-02
   -.693E+01 0.129E+02 0.240E+02   0.690E+01 -.129E+02 -.240E+02   0.191E-01 -.324E-02 0.186E-01   0.178E-02 -.504E-02 0.137E-02
   -.135E+02 0.310E+02 0.320E+02   0.133E+02 -.315E+02 -.322E+02   0.106E+00 0.447E+00 0.271E+00   0.257E-02 0.859E-02 -.692E-02
   0.340E+02 -.197E+02 0.948E+01   -.352E+02 0.203E+02 -.118E+02   0.114E+01 -.660E+00 0.233E+01   0.123E-01 -.709E-02 -.612E-02
   0.187E+02 -.208E+02 0.229E+02   -.188E+02 0.208E+02 -.229E+02   0.967E-01 -.475E-01 0.978E-02   0.674E-02 -.801E-02 0.152E-02
   0.797E+00 -.131E+02 0.251E+02   -.765E+00 0.131E+02 -.250E+02   -.461E-01 0.412E-01 -.119E+00   0.409E-02 -.200E-02 0.129E-02
   -.405E+01 0.105E+01 0.174E+02   0.405E+01 -.107E+01 -.174E+02   -.800E-02 0.176E-01 -.805E-01   0.516E-02 -.594E-02 0.348E-02
   -.182E+02 0.105E+02 0.129E+02   0.182E+02 -.105E+02 -.127E+02   0.499E-02 -.288E-02 -.248E+00   0.382E-02 -.220E-02 0.344E-02
   -.336E+02 -.387E+01 0.320E+02   0.339E+02 0.419E+01 -.322E+02   -.334E+00 -.315E+00 0.271E+00   -.615E-02 -.653E-02 -.692E-02
   -.917E+01 -.288E+02 0.461E+02   0.926E+01 0.289E+02 -.458E+02   -.101E+00 -.562E-01 -.324E+00   0.675E-02 -.491E-02 -.588E-02
   -.244E+01 -.895E+01 0.343E+02   0.244E+01 0.892E+01 -.343E+02   -.602E-02 0.361E-01 -.431E-01   0.665E-02 -.529E-02 -.226E-03
   0.119E+01 -.686E+00 0.238E+02   -.118E+01 0.681E+00 -.238E+02   -.206E-01 0.119E-01 -.636E-01   0.245E-02 -.141E-02 0.697E-03
   -.294E+01 0.298E+01 0.174E+02   0.295E+01 -.297E+01 -.174E+02   -.192E-01 -.187E-02 -.805E-01   0.773E-02 -.150E-02 0.349E-02
   -.146E+02 -.432E+00 0.240E+02   0.146E+02 0.456E+00 -.240E+02   0.124E-01 -.149E-01 0.186E-01   0.525E-02 0.972E-03 0.138E-02
   -.147E+02 -.118E+02 0.369E+02   0.147E+02 0.118E+02 -.369E+02   0.308E-01 -.184E-01 -.214E-01   0.189E-03 -.665E-02 -.653E-04
   0.244E+01 0.895E+01 0.343E+02   -.244E+01 -.892E+01 -.343E+02   0.602E-02 -.361E-01 -.431E-01   -.665E-02 0.529E-02 -.226E-03
   0.147E+02 0.118E+02 0.369E+02   -.147E+02 -.118E+02 -.369E+02   -.308E-01 0.184E-01 -.214E-01   -.189E-03 0.665E-02 -.654E-04
   0.146E+02 0.432E+00 0.240E+02   -.146E+02 -.456E+00 -.240E+02   -.124E-01 0.149E-01 0.186E-01   -.526E-02 -.972E-03 0.138E-02
   0.294E+01 -.298E+01 0.174E+02   -.295E+01 0.297E+01 -.174E+02   0.192E-01 0.187E-02 -.805E-01   -.773E-02 0.150E-02 0.349E-02
   -.119E+01 0.686E+00 0.238E+02   0.118E+01 -.681E+00 -.238E+02   0.206E-01 -.119E-01 -.636E-01   -.245E-02 0.141E-02 0.697E-03
   -.797E+00 0.131E+02 0.251E+02   0.764E+00 -.131E+02 -.250E+02   0.461E-01 -.412E-01 -.119E+00   -.409E-02 0.200E-02 0.129E-02
   0.917E+01 0.288E+02 0.461E+02   -.926E+01 -.289E+02 -.458E+02   0.101E+00 0.562E-01 -.324E+00   -.675E-02 0.491E-02 -.588E-02
   0.336E+02 0.387E+01 0.320E+02   -.339E+02 -.419E+01 -.322E+02   0.334E+00 0.315E+00 0.271E+00   0.615E-02 0.653E-02 -.692E-02
   0.182E+02 -.105E+02 0.129E+02   -.182E+02 0.105E+02 -.127E+02   -.499E-02 0.288E-02 -.248E+00   -.382E-02 0.220E-02 0.344E-02
   0.405E+01 -.105E+01 0.174E+02   -.405E+01 0.107E+01 -.174E+02   0.800E-02 -.176E-01 -.805E-01   -.516E-02 0.594E-02 0.348E-02
   -.311E+01 0.319E+01 0.209E+02   0.313E+01 -.319E+01 -.209E+02   0.262E-02 -.388E-02 0.155E-01   -.142E-02 0.106E-02 0.130E-02
   -.187E+02 0.208E+02 0.229E+02   0.188E+02 -.208E+02 -.229E+02   -.967E-01 0.475E-01 0.978E-02   -.674E-02 0.801E-02 0.152E-02
   -.340E+02 0.197E+02 0.948E+01   0.352E+02 -.203E+02 -.118E+02   -.114E+01 0.660E+00 0.233E+01   -.123E-01 0.709E-02 -.612E-02
   0.135E+02 -.310E+02 0.320E+02   -.133E+02 0.315E+02 -.322E+02   -.106E+00 -.447E+00 0.271E+00   -.257E-02 -.859E-02 -.692E-02
   0.693E+01 -.129E+02 0.240E+02   -.690E+01 0.129E+02 -.240E+02   -.191E-01 0.324E-02 0.186E-01   -.178E-02 0.504E-02 0.137E-02
   -.797E+00 -.378E+01 0.220E+02   0.791E+00 0.377E+01 -.221E+02   0.208E-01 0.458E-02 0.202E-01   -.377E-02 0.382E-02 0.274E-02
   -.969E+01 0.559E+01 0.157E+02   0.964E+01 -.557E+01 -.157E+02   0.590E-01 -.341E-01 0.431E-01   -.558E-02 0.323E-02 0.320E-02
   -.273E+02 0.583E+01 0.229E+02   0.274E+02 -.590E+01 -.229E+02   -.895E-01 0.600E-01 0.978E-02   -.103E-01 0.184E-02 0.153E-02
   -.204E+02 -.224E+02 0.461E+02   0.204E+02 0.225E+02 -.458E+02   0.196E-02 -.116E+00 -.324E+00   -.762E-02 0.339E-02 -.587E-02
   -.288E+01 -.186E+02 0.369E+02   0.292E+01 0.186E+02 -.369E+02   -.314E-01 0.175E-01 -.214E-01   -.585E-02 -.316E-02 -.699E-04
   0.211E+01 -.122E+01 0.308E+02   -.205E+01 0.118E+01 -.308E+02   -.517E-01 0.298E-01 0.727E-02   -.743E-02 0.429E-02 0.271E-04
   0.287E+01 0.258E+01 0.220E+02   -.287E+01 -.257E+01 -.221E+02   0.645E-02 -.203E-01 0.202E-01   -.520E-02 0.136E-02 0.275E-02
   -.432E+01 0.110E+01 0.209E+02   0.433E+01 -.111E+01 -.209E+02   0.467E-02 -.325E-03 0.155E-01   -.162E-02 0.709E-03 0.131E-02
   -.117E+02 -.586E+01 0.251E+02   0.117E+02 0.587E+01 -.250E+02   0.588E-01 -.193E-01 -.119E+00   -.377E-02 0.254E-02 0.130E-02
   -.653E+01 -.659E+01 0.343E+02   0.650E+01 0.657E+01 -.343E+02   0.342E-01 0.128E-01 -.431E-01   -.790E-02 0.311E-02 -.225E-03
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.334E-03 -.639E+01   0.147E-12 0.764E-13 -.497E-13   0.194E-15 -.347E-17 0.642E+01   0.323E-06 -.186E-06 0.457E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85013      6.05528     12.41227         0.000000      0.000000     -0.003147
      2.67743      7.48821     12.52469         0.002036      0.003526     -0.013599
      1.02283      4.62235     12.52469        -0.002036     -0.003526     -0.013599
     12.34219     -0.00231      9.88010        -0.002654      0.001532      0.000808
     -1.23358      2.13849      9.88542        -0.002394     -0.001146     -0.000726
     -2.46959      4.27612      9.93399        -0.013181      0.003306     -0.001925
      8.63813      6.40980      9.94335        -0.012415      0.013384     -0.001612
     -4.93711      8.54961      9.91972        -0.008436      0.007433     -0.002376
     -3.70365     10.68602      9.91972        -0.010655      0.003589     -0.002376
      1.23516      2.13978      9.92560        -0.004971      0.014932      0.000114
     -0.00404      4.27842     10.00859        -0.014016     -0.003133      0.004754
     -1.23938      6.41009     10.03601        -0.007688      0.003896      0.002261
     -2.46733      8.54796      9.96837        -0.004082      0.002357     -0.004524
      4.93711     -0.00057      9.94335        -0.017798      0.004060     -0.001612
      3.70255      2.13331      9.96222        -0.010616     -0.001099     -0.000982
      2.47188      4.25276     10.12975        -0.006065      0.015871      0.008320
      1.21330      6.42295     10.35723         0.003750     -0.002165      0.009376
     -0.00191      8.55346     10.03601        -0.007218      0.004710      0.002261
      1.23106     10.68584      9.93399        -0.009454      0.009761     -0.001925
      6.17061      2.13538      9.94408        -0.011101     -0.002163     -0.001748
      4.93877      4.27205     10.02863        -0.001213      0.000700     -0.001868
      3.72202      6.41808     10.12975        -0.016778     -0.002683      0.008320
      2.46185      8.54946     10.00859        -0.004294      0.013705      0.004754
      3.70031     10.68424      9.88542        -0.000205      0.002646     -0.000726
      8.63903      2.13570      9.90254        -0.010607      0.006124     -0.000781
      7.40510      4.27357      9.94408        -0.003677      0.010695     -0.001748
      6.17286      6.41202      9.96222        -0.004357      0.009744     -0.000982
      4.93356      8.54560      9.92560        -0.015417     -0.003161      0.000114
     -0.00005      1.42631      9.88542         0.000205     -0.002646     -0.000726
     -1.23330      3.56495      9.92560         0.015417      0.003161      0.000114
     -2.47261      5.69853      9.96222         0.004357     -0.009744     -0.000982
     -3.70484      7.83698      9.94408         0.003677     -0.010695     -0.001748
     -4.93877      9.97485      9.90254         0.010607     -0.006124     -0.000781
      2.46920      1.42471      9.93399         0.009454     -0.009761     -0.001925
      1.23841      3.56109     10.00859         0.004294     -0.013705      0.004754
     -0.02177      5.69247     10.12975         0.016778      0.002683      0.008320
     -1.23851      7.83850     10.02863         0.001213     -0.000700     -0.001868
     -2.47035      9.97517      9.94408         0.011101      0.002163     -0.001748
      4.93670      1.42337      9.94335         0.017798     -0.004060     -0.001612
      3.70216      3.55709     10.03601         0.007218     -0.004710      0.002261
      2.48696      5.68760     10.35723        -0.003750      0.002165      0.009376
      1.22838      7.85779     10.12975         0.006065     -0.015871      0.008320
     -0.00229      9.97724      9.96222         0.010616      0.001099     -0.000982
      7.40391      1.42453      9.91972         0.010655     -0.003589     -0.002376
      6.16758      3.56259      9.96837         0.004082     -0.002357     -0.004524
      4.93964      5.70046     10.03601         0.007688     -0.003896      0.002261
      3.70430      7.83213     10.00859         0.014016      0.003133      0.004754
      2.46510      9.97077      9.92560         0.004971     -0.014932      0.000114
      9.87426      1.42254      9.88010         0.002654     -0.001532      0.000808
      8.63736      3.56094      9.91972         0.008436     -0.007433     -0.002376
      7.40476      5.69818      9.94335         0.012415     -0.013384     -0.001612
      6.16985      7.83443      9.93399         0.013181     -0.003306     -0.001925
      4.93383      9.97206      9.88542         0.002394      0.001146     -0.000726
 -----------------------------------------------------------------------------------
    total drift:                               -0.001832      0.000334      0.027958


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000055  1 .order   -0.000062   -0.000274    0.000151
  (g-gl).g = 0.338E-03      g.g   = 0.326E-03  gl.gl    = 0.299E-02
 g(Force)  = 0.255E-03   g(Stress)= 0.711E-04 ortho     =-0.124E-04
 gamma     =   0.11301
 trial     =   0.84560
 opt step  =   0.54554  (harmonic =   0.54554) maximal distance =0.00045292
 next E    =  -469.648666   (d E  =  -0.00009)


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


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.34
    ORTHCH:  VPU time  183.46: CPU time   91.99
     LOOP+:  VPU time 5579.73: CPU time 2863.76


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


    POTLOK:  VPU time    9.21: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1825.14: CPU time  943.14
 BZINTS: Fermi energy: -3.253832;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.36: CPU time   56.41
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1946.29: CPU time 1009.12

 eigenvalue-minimisations  :  5992
 total energy-change (2. order) :-0.4696487E+03  (-0.2251158E-03)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9551420 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.11368E-02    rms(broyden)= 0.11358E-02
  rms(prec ) = 0.12378E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34276.54151731
  -1/2 Hartree   DENC   =    -41171.41860444
  -V(xc)+E(xc)   XCENC  =       726.33704331
  PAW double counting   =      4067.90699406    -4106.55931962
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.89614594
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64866172 eV

  energy without entropy =     -469.64866172  energy(sigma->0) =     -469.64866172


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




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


    POTLOK:  VPU time    9.04: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1425.11: CPU time  735.71
 BZINTS: Fermi energy: -3.253090;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1434.57: CPU time  745.12

 eigenvalue-minimisations  :  4240
 total energy-change (2. order) :-0.2215120E-05  (-0.5881340E-05)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9551420 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34276.54151731
  -1/2 Hartree   DENC   =    -41171.43056066
  -V(xc)+E(xc)   XCENC  =       726.33735984
  PAW double counting   =      4067.92105093    -4106.57347862
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.88440634
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64866394 eV

  energy without entropy =     -469.64866394  energy(sigma->0) =     -469.64866394


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




 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 -59.0090       2 -37.4816       3 -37.4816       4 -58.3180       5 -58.2926
       6 -58.3054       7 -58.3032       8 -58.3122       9 -58.3122      10 -58.2863
      11 -58.3246      12 -58.2801      13 -58.3229      14 -58.3032      15 -58.3010
      16 -58.3976      17 -58.9715      18 -58.2801      19 -58.3054      20 -58.3075
      21 -58.2936      22 -58.3976      23 -58.3247      24 -58.2927      25 -58.3291
      26 -58.3075      27 -58.3011      28 -58.2863      29 -58.2925      30 -58.2861
      31 -58.3009      32 -58.3074      33 -58.3290      34 -58.3053      35 -58.3245
      36 -58.3976      37 -58.2936      38 -58.3074      39 -58.3030      40 -58.2800
      41 -58.9714      42 -58.3976      43 -58.3009      44 -58.3121      45 -58.3228
      46 -58.2800      47 -58.3245      48 -58.2862      49 -58.3179      50 -58.3121
      51 -58.3030      52 -58.3054      53 -58.2926
 
 
 
 E-fermi :  -3.2531     XC(G=0):  -2.3526     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3724      1.00000
      2     -21.5045      1.00000
      3     -21.4312      1.00000
      4     -21.4299      1.00000
      5     -21.4181      1.00000
      6     -21.4080      1.00000
      7     -21.4044      1.00000
      8     -19.6655      1.00000
      9     -19.5976      1.00000
     10     -19.5925      1.00000
     11     -19.5797      1.00000
     12     -19.5681      1.00000
     13     -19.5654      1.00000
     14     -18.7649      1.00000
     15     -18.7040      1.00000
     16     -18.6961      1.00000
     17     -18.6826      1.00000
     18     -18.6742      1.00000
     19     -18.6703      1.00000
     20     -16.6308      1.00000
     21     -16.5494      1.00000
     22     -16.5444      1.00000
     23     -16.5347      1.00000
     24     -16.5261      1.00000
     25     -16.5226      1.00000
     26     -15.6081      1.00000
     27     -15.5645      1.00000
     28     -15.5244      1.00000
     29     -15.5217      1.00000
     30     -15.5187      1.00000
     31     -15.5156      1.00000
     32     -14.2562      1.00000
     33     -14.2210      1.00000
     34     -14.1955      1.00000
     35     -14.1937      1.00000
     36     -14.1748      1.00000
     37     -14.1716      1.00000
     38     -11.9844      1.00000
     39     -11.8718      1.00000
     40     -11.8245      1.00000
     41     -11.8094      1.00000
     42     -11.8088      1.00000
     43     -11.8023      1.00000
     44     -11.7301      1.00000
     45     -11.7209      1.00000
     46     -11.7073      1.00000
     47     -11.6981      1.00000
     48     -11.6870      1.00000
     49     -11.6832      1.00000
     50     -10.6441      1.00000
     51     -10.3751      1.00000
     52     -10.3569      1.00000
     53     -10.3379      1.00000
     54     -10.3279      1.00000
     55     -10.3197      1.00000
     56     -10.2953      1.00000
     57      -9.7914      1.00000
     58      -9.4113      1.00000
     59      -9.3903      1.00000
     60      -9.3527      1.00000
     61      -9.3420      1.00000
     62      -9.3330      1.00000
     63      -9.1762      1.00000
     64      -9.0772      1.00000
     65      -9.0751      1.00000
     66      -9.0645      1.00000
     67      -9.0614      1.00000
     68      -9.0327      1.00000
     69      -9.0261      1.00000
     70      -9.0259      1.00000
     71      -9.0160      1.00000
     72      -9.0055      1.00000
     73      -8.9936      1.00000
     74      -8.9725      1.00000
     75      -7.9872      1.00000
     76      -7.7009      1.00000
     77      -7.5053      1.00000
     78      -7.4855      1.00000
     79      -7.4588      1.00000
     80      -7.4129      1.00000
     81      -7.3979      1.00000
     82      -7.3784      1.00000
     83      -7.3474      1.00000
     84      -7.2237      1.00000
     85      -7.1820      1.00000
     86      -7.1771      1.00000
     87      -7.1738      1.00000
     88      -6.6146      1.00000
     89      -6.5771      1.00000
     90      -6.3655      1.00000
     91      -6.3566      1.00000
     92      -6.3172      1.00000
     93      -6.2938      1.00000
     94      -5.9454      1.00000
     95      -5.8918      1.00000
     96      -5.3610      1.00000
     97      -5.1926      1.00000
     98      -4.8397      1.00000
     99      -4.7156      1.00000
    100      -4.3637      1.00000
    101      -4.3572      1.00000
    102      -4.3464      1.00000
    103      -4.3346      1.00000
    104      -4.1688      1.00000
    105      -3.9335      1.00000
    106      -3.5922      1.00000
    107      -2.9222      0.00000
    108      -1.5543      0.00000
    109      -1.5500      0.00000
    110      -1.5374      0.00000
    111      -1.5365      0.00000
    112      -1.4801      0.00000
    113      -1.4633      0.00000
    114       0.0757      0.00000
    115       0.2357      0.00000
    116       0.2804      0.00000
    117       0.3016      0.00000
    118       0.3070      0.00000
    119       0.3744      0.00000
    120       0.6135      0.00000
    121       1.2669      0.00000
    122       1.3666      0.00000
    123       1.6983      0.00000
    124       1.7560      0.00000
    125       1.7829      0.00000
    126       1.7882      0.00000
    127       1.8508      0.00000
    128       1.8731      0.00000
    129       1.9999      0.00000
    130       2.0052      0.00000
    131       2.0161      0.00000
    132       2.0216      0.00000
    133       2.0235      0.00000
    134       2.0851      0.00000
    135       2.3132      0.00000
    136       2.4600      0.00000
    137       2.5761      0.00000
    138       2.5959      0.00000
    139       2.6310      0.00000
    140       2.7378      0.00000
    141       2.8419      0.00000
    142       3.0310      0.00000
    143       3.0427      0.00000
    144       3.0581      0.00000
    145       3.0766      0.00000
    146       3.0928      0.00000
    147       3.1059      0.00000
    148       3.4446      0.00000
    149       3.5414      0.00000
    150       3.5838      0.00000
    151       3.9083      0.00000
    152       3.9186      0.00000
    153       3.9497      0.00000
    154       3.9522      0.00000
    155       3.9781      0.00000
    156       4.0505      0.00000
    157       4.1591      0.00000
    158       4.2090      0.00000
    159       4.2551      0.00000
    160       4.2623      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3349      1.00000
      2     -21.7724      1.00000
      3     -21.5978      1.00000
      4     -21.5674      1.00000
      5     -21.2226      1.00000
      6     -21.1946      1.00000
      7     -21.0208      1.00000
      8     -20.1199      1.00000
      9     -20.0876      1.00000
     10     -19.5723      1.00000
     11     -19.5454      1.00000
     12     -19.3784      1.00000
     13     -19.0503      1.00000
     14     -19.0196      1.00000
     15     -19.0056      1.00000
     16     -18.9948      1.00000
     17     -18.3283      1.00000
     18     -18.3045      1.00000
     19     -17.9816      1.00000
     20     -17.0357      1.00000
     21     -16.9843      1.00000
     22     -16.9177      1.00000
     23     -16.8989      1.00000
     24     -16.4375      1.00000
     25     -16.4153      1.00000
     26     -15.5907      1.00000
     27     -15.5575      1.00000
     28     -15.2361      1.00000
     29     -15.1957      1.00000
     30     -15.1321      1.00000
     31     -15.0578      1.00000
     32     -15.0294      1.00000
     33     -14.6699      1.00000
     34     -14.6507      1.00000
     35     -13.7066      1.00000
     36     -13.6805      1.00000
     37     -13.2018      1.00000
     38     -12.5980      1.00000
     39     -12.5413      1.00000
     40     -12.4199      1.00000
     41     -12.4034      1.00000
     42     -12.1106      1.00000
     43     -12.0689      1.00000
     44     -11.6971      1.00000
     45     -11.6477      1.00000
     46     -11.2346      1.00000
     47     -11.1897      1.00000
     48     -11.0082      1.00000
     49     -10.9714      1.00000
     50     -10.9102      1.00000
     51     -10.8662      1.00000
     52     -10.5301      1.00000
     53     -10.1285      1.00000
     54     -10.1221      1.00000
     55     -10.0808      1.00000
     56      -9.9190      1.00000
     57      -9.7075      1.00000
     58      -9.6699      1.00000
     59      -9.6123      1.00000
     60      -9.5826      1.00000
     61      -9.5440      1.00000
     62      -9.4795      1.00000
     63      -9.2959      1.00000
     64      -9.2769      1.00000
     65      -9.2296      1.00000
     66      -9.1756      1.00000
     67      -9.1104      1.00000
     68      -9.0756      1.00000
     69      -9.0651      1.00000
     70      -8.9051      1.00000
     71      -8.8465      1.00000
     72      -8.6039      1.00000
     73      -8.5659      1.00000
     74      -8.1227      1.00000
     75      -8.0447      1.00000
     76      -7.9498      1.00000
     77      -7.8306      1.00000
     78      -7.7919      1.00000
     79      -7.7287      1.00000
     80      -7.6932      1.00000
     81      -7.3486      1.00000
     82      -7.3340      1.00000
     83      -7.3268      1.00000
     84      -7.2701      1.00000
     85      -7.0658      1.00000
     86      -6.9824      1.00000
     87      -6.8254      1.00000
     88      -6.7507      1.00000
     89      -6.6427      1.00000
     90      -6.5644      1.00000
     91      -6.1383      1.00000
     92      -6.1041      1.00000
     93      -6.0937      1.00000
     94      -5.9665      1.00000
     95      -5.7348      1.00000
     96      -5.3971      1.00000
     97      -5.2074      1.00000
     98      -4.9399      1.00000
     99      -4.7990      1.00000
    100      -4.6380      1.00000
    101      -4.5374      1.00000
    102      -4.4855      1.00000
    103      -4.3645      1.00000
    104      -4.0452      1.00000
    105      -3.8149      1.00000
    106      -3.5694      1.00000
    107      -2.9443      0.00000
    108      -1.7191      0.00000
    109      -1.6763      0.00000
    110      -1.2935      0.00000
    111      -1.2728      0.00000
    112      -1.2457      0.00000
    113      -1.2132      0.00000
    114      -0.5604      0.00000
    115      -0.1920      0.00000
    116      -0.1702      0.00000
    117       0.6288      0.00000
    118       0.6765      0.00000
    119       0.7256      0.00000
    120       0.9855      0.00000
    121       1.1166      0.00000
    122       1.2409      0.00000
    123       1.3401      0.00000
    124       1.4447      0.00000
    125       1.4958      0.00000
    126       1.7398      0.00000
    127       1.7622      0.00000
    128       1.7989      0.00000
    129       1.8548      0.00000
    130       1.9501      0.00000
    131       2.1700      0.00000
    132       2.2103      0.00000
    133       2.2594      0.00000
    134       2.4284      0.00000
    135       2.5061      0.00000
    136       2.6084      0.00000
    137       2.6887      0.00000
    138       2.6960      0.00000
    139       2.7763      0.00000
    140       2.7990      0.00000
    141       2.8525      0.00000
    142       2.8568      0.00000
    143       2.9934      0.00000
    144       3.0601      0.00000
    145       3.2679      0.00000
    146       3.3560      0.00000
    147       3.3675      0.00000
    148       3.4434      0.00000
    149       3.5223      0.00000
    150       3.5760      0.00000
    151       3.6503      0.00000
    152       3.7224      0.00000
    153       3.7622      0.00000
    154       3.9288      0.00000
    155       3.9555      0.00000
    156       4.0365      0.00000
    157       4.0794      0.00000
    158       4.1607      0.00000
    159       4.2366      0.00000
    160       4.2680      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2233      1.00000
      2     -22.0318      1.00000
      3     -21.6722      1.00000
      4     -21.6423      1.00000
      5     -20.9286      1.00000
      6     -20.8977      1.00000
      7     -20.5681      1.00000
      8     -20.5335      1.00000
      9     -20.5244      1.00000
     10     -19.9918      1.00000
     11     -19.4667      1.00000
     12     -19.4375      1.00000
     13     -19.2748      1.00000
     14     -19.2547      1.00000
     15     -18.4063      1.00000
     16     -18.3684      1.00000
     17     -17.8956      1.00000
     18     -17.8657      1.00000
     19     -17.7179      1.00000
     20     -17.6831      1.00000
     21     -17.4081      1.00000
     22     -17.3838      1.00000
     23     -17.3054      1.00000
     24     -16.4330      1.00000
     25     -16.4127      1.00000
     26     -15.9179      1.00000
     27     -15.3897      1.00000
     28     -15.3597      1.00000
     29     -15.0734      1.00000
     30     -15.0459      1.00000
     31     -14.8382      1.00000
     32     -14.8040      1.00000
     33     -14.2534      1.00000
     34     -14.2159      1.00000
     35     -13.4117      1.00000
     36     -13.3622      1.00000
     37     -13.1605      1.00000
     38     -13.1310      1.00000
     39     -12.9367      1.00000
     40     -12.9269      1.00000
     41     -12.6031      1.00000
     42     -12.5708      1.00000
     43     -12.1696      1.00000
     44     -11.5642      1.00000
     45     -11.5036      1.00000
     46     -11.3015      1.00000
     47     -11.2503      1.00000
     48     -11.1211      1.00000
     49     -10.6822      1.00000
     50     -10.6328      1.00000
     51     -10.4483      1.00000
     52     -10.2877      1.00000
     53     -10.2752      1.00000
     54     -10.1608      1.00000
     55     -10.0842      1.00000
     56     -10.0708      1.00000
     57      -9.7891      1.00000
     58      -9.7390      1.00000
     59      -9.6952      1.00000
     60      -9.6743      1.00000
     61      -9.6598      1.00000
     62      -9.5981      1.00000
     63      -9.3384      1.00000
     64      -9.3208      1.00000
     65      -9.2878      1.00000
     66      -9.0301      1.00000
     67      -8.9327      1.00000
     68      -8.8423      1.00000
     69      -8.7614      1.00000
     70      -8.5922      1.00000
     71      -8.4961      1.00000
     72      -8.3701      1.00000
     73      -8.3634      1.00000
     74      -8.3040      1.00000
     75      -8.2445      1.00000
     76      -8.2424      1.00000
     77      -8.2241      1.00000
     78      -8.1966      1.00000
     79      -7.8734      1.00000
     80      -7.7449      1.00000
     81      -7.3704      1.00000
     82      -7.3157      1.00000
     83      -7.2988      1.00000
     84      -7.2071      1.00000
     85      -7.1802      1.00000
     86      -6.9498      1.00000
     87      -6.9314      1.00000
     88      -6.5934      1.00000
     89      -6.5392      1.00000
     90      -6.2655      1.00000
     91      -6.2013      1.00000
     92      -5.9822      1.00000
     93      -5.8153      1.00000
     94      -5.6693      1.00000
     95      -5.5143      1.00000
     96      -5.3310      1.00000
     97      -5.3056      1.00000
     98      -5.1926      1.00000
     99      -5.1901      1.00000
    100      -5.1079      1.00000
    101      -4.6898      1.00000
    102      -4.5494      1.00000
    103      -4.4512      1.00000
    104      -3.9151      1.00000
    105      -3.7077      1.00000
    106      -3.5353      1.00000
    107      -2.9665      0.00000
    108      -1.8177      0.00000
    109      -1.7626      0.00000
    110      -1.0862      0.00000
    111      -0.9721      0.00000
    112      -0.9418      0.00000
    113      -0.6479      0.00000
    114      -0.6058      0.00000
    115      -0.5693      0.00000
    116      -0.5314      0.00000
    117       0.1755      0.00000
    118       0.2566      0.00000
    119       0.7889      0.00000
    120       1.0057      0.00000
    121       1.1139      0.00000
    122       1.1678      0.00000
    123       1.3564      0.00000
    124       1.4796      0.00000
    125       1.5908      0.00000
    126       1.5953      0.00000
    127       1.6837      0.00000
    128       1.9066      0.00000
    129       1.9486      0.00000
    130       2.0277      0.00000
    131       2.1864      0.00000
    132       2.3423      0.00000
    133       2.3885      0.00000
    134       2.4108      0.00000
    135       2.5967      0.00000
    136       2.6844      0.00000
    137       2.7399      0.00000
    138       2.7783      0.00000
    139       2.8370      0.00000
    140       3.0036      0.00000
    141       3.0521      0.00000
    142       3.0825      0.00000
    143       3.1379      0.00000
    144       3.2578      0.00000
    145       3.3289      0.00000
    146       3.3890      0.00000
    147       3.4525      0.00000
    148       3.5407      0.00000
    149       3.5742      0.00000
    150       3.6017      0.00000
    151       3.6786      0.00000
    152       3.7032      0.00000
    153       3.7645      0.00000
    154       3.7857      0.00000
    155       3.7925      0.00000
    156       3.9364      0.00000
    157       3.9397      0.00000
    158       4.0343      0.00000
    159       4.1968      0.00000
    160       4.2657      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2602      1.00000
      2     -21.8891      1.00000
      3     -21.8757      1.00000
      4     -21.3273      1.00000
      5     -21.3155      1.00000
      6     -20.7717      1.00000
      7     -20.7563      1.00000
      8     -20.5791      1.00000
      9     -20.0308      1.00000
     10     -20.0279      1.00000
     11     -19.6721      1.00000
     12     -19.6578      1.00000
     13     -18.9492      1.00000
     14     -18.9489      1.00000
     15     -18.5937      1.00000
     16     -18.5934      1.00000
     17     -18.4186      1.00000
     18     -17.6435      1.00000
     19     -17.5880      1.00000
     20     -17.5658      1.00000
     21     -17.5604      1.00000
     22     -17.0744      1.00000
     23     -17.0730      1.00000
     24     -16.9206      1.00000
     25     -15.9540      1.00000
     26     -15.9051      1.00000
     27     -15.5486      1.00000
     28     -15.5314      1.00000
     29     -15.2693      1.00000
     30     -14.8178      1.00000
     31     -14.7947      1.00000
     32     -14.5415      1.00000
     33     -14.5104      1.00000
     34     -14.1326      1.00000
     35     -14.1283      1.00000
     36     -13.1049      1.00000
     37     -13.0421      1.00000
     38     -13.0179      1.00000
     39     -12.9874      1.00000
     40     -12.6762      1.00000
     41     -12.6744      1.00000
     42     -12.2889      1.00000
     43     -12.2818      1.00000
     44     -11.6535      1.00000
     45     -11.6006      1.00000
     46     -11.5405      1.00000
     47     -10.9413      1.00000
     48     -10.8919      1.00000
     49     -10.6374      1.00000
     50     -10.5970      1.00000
     51     -10.4756      1.00000
     52     -10.4650      1.00000
     53     -10.4061      1.00000
     54     -10.4035      1.00000
     55     -10.3148      1.00000
     56     -10.0401      1.00000
     57      -9.8760      1.00000
     58      -9.5856      1.00000
     59      -9.5209      1.00000
     60      -9.5029      1.00000
     61      -9.3793      1.00000
     62      -9.3713      1.00000
     63      -9.3407      1.00000
     64      -9.2945      1.00000
     65      -9.2424      1.00000
     66      -9.1706      1.00000
     67      -9.1274      1.00000
     68      -9.0837      1.00000
     69      -8.8457      1.00000
     70      -8.8253      1.00000
     71      -8.6816      1.00000
     72      -8.5745      1.00000
     73      -8.4197      1.00000
     74      -8.1997      1.00000
     75      -8.1531      1.00000
     76      -7.9731      1.00000
     77      -7.8833      1.00000
     78      -7.8201      1.00000
     79      -7.7930      1.00000
     80      -7.7665      1.00000
     81      -7.6760      1.00000
     82      -7.6208      1.00000
     83      -7.4098      1.00000
     84      -7.3509      1.00000
     85      -6.8998      1.00000
     86      -6.8920      1.00000
     87      -6.7308      1.00000
     88      -6.6474      1.00000
     89      -6.4089      1.00000
     90      -6.3307      1.00000
     91      -6.2895      1.00000
     92      -6.1841      1.00000
     93      -5.9730      1.00000
     94      -5.5816      1.00000
     95      -5.4782      1.00000
     96      -5.4118      1.00000
     97      -5.3708      1.00000
     98      -5.1940      1.00000
     99      -5.1069      1.00000
    100      -4.7531      1.00000
    101      -4.7036      1.00000
    102      -4.5694      1.00000
    103      -4.4195      1.00000
    104      -4.2018      1.00000
    105      -3.5531      1.00000
    106      -3.3956      1.00000
    107      -3.0494      0.00000
    108      -2.1033      0.00000
    109      -1.2459      0.00000
    110      -1.2044      0.00000
    111      -1.1759      0.00000
    112      -0.9330      0.00000
    113      -0.8335      0.00000
    114      -0.7844      0.00000
    115      -0.7021      0.00000
    116       0.1961      0.00000
    117       0.2013      0.00000
    118       0.3058      0.00000
    119       0.7673      0.00000
    120       0.8218      0.00000
    121       0.9127      0.00000
    122       1.1192      0.00000
    123       1.3274      0.00000
    124       1.5066      0.00000
    125       1.5803      0.00000
    126       1.8079      0.00000
    127       1.8343      0.00000
    128       1.8736      0.00000
    129       1.9667      0.00000
    130       1.9823      0.00000
    131       2.2519      0.00000
    132       2.4080      0.00000
    133       2.4087      0.00000
    134       2.4269      0.00000
    135       2.5585      0.00000
    136       2.5848      0.00000
    137       2.6294      0.00000
    138       2.7161      0.00000
    139       2.7341      0.00000
    140       2.9601      0.00000
    141       3.0537      0.00000
    142       3.1267      0.00000
    143       3.1900      0.00000
    144       3.2329      0.00000
    145       3.2362      0.00000
    146       3.3092      0.00000
    147       3.3318      0.00000
    148       3.5151      0.00000
    149       3.5186      0.00000
    150       3.6256      0.00000
    151       3.6967      0.00000
    152       3.7248      0.00000
    153       3.7998      0.00000
    154       3.9279      0.00000
    155       3.9807      0.00000
    156       3.9840      0.00000
    157       3.9944      0.00000
    158       4.0078      0.00000
    159       4.0342      0.00000
    160       4.1394      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1286      1.00000
      2     -22.0895      1.00000
      3     -21.9185      1.00000
      4     -21.3592      1.00000
      5     -21.0045      1.00000
      6     -20.9686      1.00000
      7     -20.4529      1.00000
      8     -20.4149      1.00000
      9     -20.2615      1.00000
     10     -20.2316      1.00000
     11     -19.9011      1.00000
     12     -19.8631      1.00000
     13     -18.8283      1.00000
     14     -18.7845      1.00000
     15     -18.3121      1.00000
     16     -18.2615      1.00000
     17     -18.1215      1.00000
     18     -18.0924      1.00000
     19     -17.7857      1.00000
     20     -17.7466      1.00000
     21     -17.2258      1.00000
     22     -17.1946      1.00000
     23     -17.1328      1.00000
     24     -17.0940      1.00000
     25     -16.0581      1.00000
     26     -15.8601      1.00000
     27     -15.8221      1.00000
     28     -15.7898      1.00000
     29     -15.2095      1.00000
     30     -14.5308      1.00000
     31     -14.4850      1.00000
     32     -14.2539      1.00000
     33     -13.9296      1.00000
     34     -13.9181      1.00000
     35     -13.7921      1.00000
     36     -13.7628      1.00000
     37     -13.5828      1.00000
     38     -13.5344      1.00000
     39     -13.3234      1.00000
     40     -12.5848      1.00000
     41     -12.1760      1.00000
     42     -12.1013      1.00000
     43     -12.0357      1.00000
     44     -11.9905      1.00000
     45     -11.6563      1.00000
     46     -11.6212      1.00000
     47     -11.1386      1.00000
     48     -11.0836      1.00000
     49     -10.7817      1.00000
     50     -10.7052      1.00000
     51     -10.4048      1.00000
     52     -10.1932      1.00000
     53     -10.1681      1.00000
     54     -10.1265      1.00000
     55      -9.9940      1.00000
     56      -9.9824      1.00000
     57      -9.9407      1.00000
     58      -9.7951      1.00000
     59      -9.7702      1.00000
     60      -9.7422      1.00000
     61      -9.7211      1.00000
     62      -9.4386      1.00000
     63      -9.3356      1.00000
     64      -9.0898      1.00000
     65      -9.0439      1.00000
     66      -9.0036      1.00000
     67      -8.8916      1.00000
     68      -8.8259      1.00000
     69      -8.7086      1.00000
     70      -8.6653      1.00000
     71      -8.5676      1.00000
     72      -8.5084      1.00000
     73      -8.4729      1.00000
     74      -8.4375      1.00000
     75      -8.3321      1.00000
     76      -8.1984      1.00000
     77      -8.0666      1.00000
     78      -7.9807      1.00000
     79      -7.9066      1.00000
     80      -7.8806      1.00000
     81      -7.6954      1.00000
     82      -7.5618      1.00000
     83      -7.4941      1.00000
     84      -6.9792      1.00000
     85      -6.9093      1.00000
     86      -6.8594      1.00000
     87      -6.7414      1.00000
     88      -6.5205      1.00000
     89      -6.4687      1.00000
     90      -6.3796      1.00000
     91      -6.1927      1.00000
     92      -5.9300      1.00000
     93      -5.7963      1.00000
     94      -5.7502      1.00000
     95      -5.5571      1.00000
     96      -5.3763      1.00000
     97      -5.2437      1.00000
     98      -5.1960      1.00000
     99      -5.1821      1.00000
    100      -5.1225      1.00000
    101      -4.8095      1.00000
    102      -4.5393      1.00000
    103      -4.4575      1.00000
    104      -4.2458      1.00000
    105      -3.5541      1.00000
    106      -3.2902      1.00000
    107      -2.9391      0.00000
    108      -2.3440      0.00000
    109      -1.1834      0.00000
    110      -1.1644      0.00000
    111      -1.1151      0.00000
    112      -1.0593      0.00000
    113      -0.5037      0.00000
    114      -0.4567      0.00000
    115      -0.2978      0.00000
    116      -0.2728      0.00000
    117       0.0003      0.00000
    118       0.0352      0.00000
    119       0.5317      0.00000
    120       0.6424      0.00000
    121       0.8833      0.00000
    122       0.9797      0.00000
    123       1.1890      0.00000
    124       1.5331      0.00000
    125       1.7611      0.00000
    126       1.7806      0.00000
    127       2.0081      0.00000
    128       2.1166      0.00000
    129       2.1330      0.00000
    130       2.1472      0.00000
    131       2.2611      0.00000
    132       2.3081      0.00000
    133       2.3580      0.00000
    134       2.4616      0.00000
    135       2.6682      0.00000
    136       2.7566      0.00000
    137       2.7977      0.00000
    138       2.8794      0.00000
    139       2.9613      0.00000
    140       2.9979      0.00000
    141       3.0554      0.00000
    142       3.1104      0.00000
    143       3.1650      0.00000
    144       3.2346      0.00000
    145       3.2652      0.00000
    146       3.2969      0.00000
    147       3.3278      0.00000
    148       3.3499      0.00000
    149       3.4004      0.00000
    150       3.5349      0.00000
    151       3.6132      0.00000
    152       3.6706      0.00000
    153       3.6959      0.00000
    154       3.7094      0.00000
    155       3.7300      0.00000
    156       3.7903      0.00000
    157       3.9590      0.00000
    158       4.0590      0.00000
    159       4.1343      0.00000
    160       4.2634      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2598      1.00000
      2     -21.9016      1.00000
      3     -21.8633      1.00000
      4     -21.3389      1.00000
      5     -21.3033      1.00000
      6     -20.7833      1.00000
      7     -20.7449      1.00000
      8     -20.5789      1.00000
      9     -20.0481      1.00000
     10     -20.0124      1.00000
     11     -19.6813      1.00000
     12     -19.6465      1.00000
     13     -18.9689      1.00000
     14     -18.9314      1.00000
     15     -18.6130      1.00000
     16     -18.5757      1.00000
     17     -18.4182      1.00000
     18     -17.6331      1.00000
     19     -17.5880      1.00000
     20     -17.5670      1.00000
     21     -17.5496      1.00000
     22     -17.0987      1.00000
     23     -17.0562      1.00000
     24     -16.9385      1.00000
     25     -15.9818      1.00000
     26     -15.8704      1.00000
     27     -15.5679      1.00000
     28     -15.5289      1.00000
     29     -15.2321      1.00000
     30     -14.8499      1.00000
     31     -14.7921      1.00000
     32     -14.5389      1.00000
     33     -14.5008      1.00000
     34     -14.1289      1.00000
     35     -14.1170      1.00000
     36     -13.1564      1.00000
     37     -13.0506      1.00000
     38     -12.9969      1.00000
     39     -12.9769      1.00000
     40     -12.7002      1.00000
     41     -12.6549      1.00000
     42     -12.2985      1.00000
     43     -12.2789      1.00000
     44     -11.6197      1.00000
     45     -11.5865      1.00000
     46     -11.5265      1.00000
     47     -10.9232      1.00000
     48     -10.8971      1.00000
     49     -10.7127      1.00000
     50     -10.5670      1.00000
     51     -10.5347      1.00000
     52     -10.4664      1.00000
     53     -10.4262      1.00000
     54     -10.3669      1.00000
     55     -10.3158      1.00000
     56     -10.0346      1.00000
     57      -9.8705      1.00000
     58      -9.6024      1.00000
     59      -9.5231      1.00000
     60      -9.4550      1.00000
     61      -9.4042      1.00000
     62      -9.3729      1.00000
     63      -9.3423      1.00000
     64      -9.2979      1.00000
     65      -9.2458      1.00000
     66      -9.1348      1.00000
     67      -9.0885      1.00000
     68      -9.0718      1.00000
     69      -8.8514      1.00000
     70      -8.8330      1.00000
     71      -8.7033      1.00000
     72      -8.5603      1.00000
     73      -8.4380      1.00000
     74      -8.1979      1.00000
     75      -8.1700      1.00000
     76      -8.0391      1.00000
     77      -7.8668      1.00000
     78      -7.8042      1.00000
     79      -7.7709      1.00000
     80      -7.7179      1.00000
     81      -7.6797      1.00000
     82      -7.6416      1.00000
     83      -7.4471      1.00000
     84      -7.3083      1.00000
     85      -6.9197      1.00000
     86      -6.8884      1.00000
     87      -6.7761      1.00000
     88      -6.5576      1.00000
     89      -6.3894      1.00000
     90      -6.3228      1.00000
     91      -6.2777      1.00000
     92      -6.1699      1.00000
     93      -6.0679      1.00000
     94      -5.7832      1.00000
     95      -5.5322      1.00000
     96      -5.3566      1.00000
     97      -5.2044      1.00000
     98      -5.1776      1.00000
     99      -5.0302      1.00000
    100      -4.8138      1.00000
    101      -4.6693      1.00000
    102      -4.4930      1.00000
    103      -4.4311      1.00000
    104      -4.2371      1.00000
    105      -3.6321      1.00000
    106      -3.5456      1.00000
    107      -2.8453      0.00000
    108      -2.1358      0.00000
    109      -1.2461      0.00000
    110      -1.1894      0.00000
    111      -1.1784      0.00000
    112      -0.8862      0.00000
    113      -0.8675      0.00000
    114      -0.7865      0.00000
    115      -0.7536      0.00000
    116       0.1428      0.00000
    117       0.2442      0.00000
    118       0.3165      0.00000
    119       0.7200      0.00000
    120       0.8574      0.00000
    121       0.9364      0.00000
    122       1.1658      0.00000
    123       1.2606      0.00000
    124       1.5198      0.00000
    125       1.5771      0.00000
    126       1.7986      0.00000
    127       1.8835      0.00000
    128       1.8876      0.00000
    129       1.9653      0.00000
    130       2.0494      0.00000
    131       2.2214      0.00000
    132       2.3351      0.00000
    133       2.4277      0.00000
    134       2.4402      0.00000
    135       2.5787      0.00000
    136       2.6075      0.00000
    137       2.6654      0.00000
    138       2.7170      0.00000
    139       2.7533      0.00000
    140       2.8925      0.00000
    141       3.0403      0.00000
    142       3.1379      0.00000
    143       3.1980      0.00000
    144       3.2223      0.00000
    145       3.2403      0.00000
    146       3.2814      0.00000
    147       3.3281      0.00000
    148       3.4431      0.00000
    149       3.5416      0.00000
    150       3.6073      0.00000
    151       3.6947      0.00000
    152       3.7115      0.00000
    153       3.8565      0.00000
    154       3.9026      0.00000
    155       3.9296      0.00000
    156       3.9599      0.00000
    157       4.0108      0.00000
    158       4.0144      0.00000
    159       4.0382      0.00000
    160       4.0833      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3348      1.00000
      2     -21.7744      1.00000
      3     -21.5934      1.00000
      4     -21.5688      1.00000
      5     -21.2242      1.00000
      6     -21.1950      1.00000
      7     -21.0194      1.00000
      8     -20.1198      1.00000
      9     -20.0882      1.00000
     10     -19.5769      1.00000
     11     -19.5432      1.00000
     12     -19.3734      1.00000
     13     -19.0610      1.00000
     14     -19.0210      1.00000
     15     -19.0043      1.00000
     16     -18.9866      1.00000
     17     -18.3336      1.00000
     18     -18.3032      1.00000
     19     -17.9743      1.00000
     20     -17.0240      1.00000
     21     -16.9830      1.00000
     22     -16.9258      1.00000
     23     -16.9002      1.00000
     24     -16.4551      1.00000
     25     -16.4200      1.00000
     26     -15.5764      1.00000
     27     -15.5478      1.00000
     28     -15.2043      1.00000
     29     -15.1824      1.00000
     30     -15.1636      1.00000
     31     -15.0838      1.00000
     32     -15.0305      1.00000
     33     -14.6707      1.00000
     34     -14.6437      1.00000
     35     -13.7043      1.00000
     36     -13.6717      1.00000
     37     -13.2082      1.00000
     38     -12.6397      1.00000
     39     -12.5399      1.00000
     40     -12.4269      1.00000
     41     -12.4047      1.00000
     42     -12.0743      1.00000
     43     -12.0525      1.00000
     44     -11.6776      1.00000
     45     -11.6454      1.00000
     46     -11.2873      1.00000
     47     -11.1859      1.00000
     48     -10.9964      1.00000
     49     -10.9653      1.00000
     50     -10.8887      1.00000
     51     -10.8563      1.00000
     52     -10.5624      1.00000
     53     -10.2070      1.00000
     54     -10.1172      1.00000
     55     -10.0605      1.00000
     56      -9.8902      1.00000
     57      -9.6631      1.00000
     58      -9.6630      1.00000
     59      -9.6267      1.00000
     60      -9.6008      1.00000
     61      -9.5328      1.00000
     62      -9.4742      1.00000
     63      -9.3136      1.00000
     64      -9.2657      1.00000
     65      -9.2215      1.00000
     66      -9.1937      1.00000
     67      -9.0961      1.00000
     68      -9.0911      1.00000
     69      -9.0693      1.00000
     70      -8.9032      1.00000
     71      -8.8381      1.00000
     72      -8.5728      1.00000
     73      -8.5599      1.00000
     74      -8.1715      1.00000
     75      -8.0113      1.00000
     76      -7.9477      1.00000
     77      -7.8832      1.00000
     78      -7.7768      1.00000
     79      -7.7280      1.00000
     80      -7.7144      1.00000
     81      -7.4031      1.00000
     82      -7.2835      1.00000
     83      -7.2449      1.00000
     84      -7.2184      1.00000
     85      -7.1531      1.00000
     86      -6.9680      1.00000
     87      -6.8567      1.00000
     88      -6.6943      1.00000
     89      -6.6622      1.00000
     90      -6.5856      1.00000
     91      -6.1602      1.00000
     92      -6.0876      1.00000
     93      -6.0721      1.00000
     94      -5.9094      1.00000
     95      -5.8825      1.00000
     96      -5.3764      1.00000
     97      -5.1906      1.00000
     98      -4.8732      1.00000
     99      -4.8562      1.00000
    100      -4.6465      1.00000
    101      -4.5238      1.00000
    102      -4.3904      1.00000
    103      -4.2661      1.00000
    104      -4.0645      1.00000
    105      -4.0394      1.00000
    106      -3.5638      1.00000
    107      -2.8667      0.00000
    108      -1.7043      0.00000
    109      -1.6991      0.00000
    110      -1.3075      0.00000
    111      -1.2615      0.00000
    112      -1.2310      0.00000
    113      -1.2293      0.00000
    114      -0.5676      0.00000
    115      -0.2550      0.00000
    116      -0.1144      0.00000
    117       0.5839      0.00000
    118       0.6736      0.00000
    119       0.8089      0.00000
    120       0.9571      0.00000
    121       1.1396      0.00000
    122       1.2044      0.00000
    123       1.2812      0.00000
    124       1.4534      0.00000
    125       1.6186      0.00000
    126       1.6870      0.00000
    127       1.7724      0.00000
    128       1.7798      0.00000
    129       1.9130      0.00000
    130       1.9377      0.00000
    131       2.1828      0.00000
    132       2.1951      0.00000
    133       2.2338      0.00000
    134       2.4697      0.00000
    135       2.5029      0.00000
    136       2.5920      0.00000
    137       2.6385      0.00000
    138       2.7081      0.00000
    139       2.8175      0.00000
    140       2.8241      0.00000
    141       2.8608      0.00000
    142       2.9521      0.00000
    143       2.9776      0.00000
    144       3.0209      0.00000
    145       3.1404      0.00000
    146       3.3478      0.00000
    147       3.3775      0.00000
    148       3.4200      0.00000
    149       3.5870      0.00000
    150       3.6097      0.00000
    151       3.6358      0.00000
    152       3.6708      0.00000
    153       3.7833      0.00000
    154       3.8001      0.00000
    155       4.0015      0.00000
    156       4.0339      0.00000
    157       4.0509      0.00000
    158       4.1229      0.00000
    159       4.2331      0.00000
    160       4.3466      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1187      1.00000
      2     -22.1014      1.00000
      3     -21.9165      1.00000
      4     -21.3592      1.00000
      5     -20.9924      1.00000
      6     -20.9809      1.00000
      7     -20.4409      1.00000
      8     -20.4273      1.00000
      9     -20.2478      1.00000
     10     -20.2458      1.00000
     11     -19.8891      1.00000
     12     -19.8742      1.00000
     13     -18.8229      1.00000
     14     -18.7954      1.00000
     15     -18.2842      1.00000
     16     -18.2783      1.00000
     17     -18.1128      1.00000
     18     -18.1064      1.00000
     19     -17.7661      1.00000
     20     -17.7618      1.00000
     21     -17.2301      1.00000
     22     -17.2022      1.00000
     23     -17.1154      1.00000
     24     -17.0992      1.00000
     25     -16.0924      1.00000
     26     -15.8325      1.00000
     27     -15.8221      1.00000
     28     -15.8054      1.00000
     29     -15.1835      1.00000
     30     -14.5116      1.00000
     31     -14.4984      1.00000
     32     -14.2286      1.00000
     33     -13.9642      1.00000
     34     -13.9262      1.00000
     35     -13.7905      1.00000
     36     -13.7776      1.00000
     37     -13.5595      1.00000
     38     -13.5401      1.00000
     39     -13.3302      1.00000
     40     -12.6112      1.00000
     41     -12.1299      1.00000
     42     -12.1186      1.00000
     43     -12.0076      1.00000
     44     -11.9895      1.00000
     45     -11.6525      1.00000
     46     -11.6377      1.00000
     47     -11.1391      1.00000
     48     -11.1022      1.00000
     49     -10.7604      1.00000
     50     -10.7012      1.00000
     51     -10.4423      1.00000
     52     -10.1735      1.00000
     53     -10.1660      1.00000
     54     -10.1492      1.00000
     55     -10.0032      1.00000
     56      -9.9640      1.00000
     57      -9.9370      1.00000
     58      -9.8141      1.00000
     59      -9.7657      1.00000
     60      -9.7435      1.00000
     61      -9.7294      1.00000
     62      -9.4320      1.00000
     63      -9.3325      1.00000
     64      -9.0779      1.00000
     65      -9.0406      1.00000
     66      -8.9686      1.00000
     67      -8.9407      1.00000
     68      -8.8013      1.00000
     69      -8.6836      1.00000
     70      -8.6676      1.00000
     71      -8.5464      1.00000
     72      -8.5146      1.00000
     73      -8.4440      1.00000
     74      -8.4379      1.00000
     75      -8.2998      1.00000
     76      -8.2314      1.00000
     77      -8.1088      1.00000
     78      -8.0489      1.00000
     79      -8.0249      1.00000
     80      -7.7887      1.00000
     81      -7.6008      1.00000
     82      -7.5927      1.00000
     83      -7.4606      1.00000
     84      -7.0033      1.00000
     85      -6.9489      1.00000
     86      -6.8632      1.00000
     87      -6.5743      1.00000
     88      -6.5413      1.00000
     89      -6.4592      1.00000
     90      -6.4065      1.00000
     91      -6.3299      1.00000
     92      -5.9853      1.00000
     93      -5.7692      1.00000
     94      -5.7278      1.00000
     95      -5.5594      1.00000
     96      -5.3796      1.00000
     97      -5.2046      1.00000
     98      -5.1995      1.00000
     99      -5.1780      1.00000
    100      -5.1563      1.00000
    101      -4.6489      1.00000
    102      -4.5014      1.00000
    103      -4.4421      1.00000
    104      -4.3848      1.00000
    105      -3.5713      1.00000
    106      -3.4310      1.00000
    107      -2.7339      0.00000
    108      -2.4084      0.00000
    109      -1.1660      0.00000
    110      -1.1577      0.00000
    111      -1.1473      0.00000
    112      -1.0520      0.00000
    113      -0.4889      0.00000
    114      -0.4788      0.00000
    115      -0.3236      0.00000
    116      -0.2470      0.00000
    117       0.0051      0.00000
    118       0.0077      0.00000
    119       0.5222      0.00000
    120       0.6640      0.00000
    121       0.8205      0.00000
    122       1.0062      0.00000
    123       1.2436      0.00000
    124       1.5009      0.00000
    125       1.7645      0.00000
    126       1.9593      0.00000
    127       1.9598      0.00000
    128       2.0302      0.00000
    129       2.0944      0.00000
    130       2.1819      0.00000
    131       2.2884      0.00000
    132       2.2938      0.00000
    133       2.3602      0.00000
    134       2.5615      0.00000
    135       2.6367      0.00000
    136       2.6841      0.00000
    137       2.8513      0.00000
    138       2.8900      0.00000
    139       2.9653      0.00000
    140       2.9786      0.00000
    141       3.1307      0.00000
    142       3.1438      0.00000
    143       3.1476      0.00000
    144       3.1837      0.00000
    145       3.2466      0.00000
    146       3.2474      0.00000
    147       3.3371      0.00000
    148       3.3575      0.00000
    149       3.4121      0.00000
    150       3.4171      0.00000
    151       3.5142      0.00000
    152       3.6334      0.00000
    153       3.6878      0.00000
    154       3.7070      0.00000
    155       3.8388      0.00000
    156       3.9127      0.00000
    157       3.9682      0.00000
    158       3.9948      0.00000
    159       4.1174      0.00000
    160       4.2061      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2222      1.00000
      2     -22.0342      1.00000
      3     -21.6692      1.00000
      4     -21.6436      1.00000
      5     -20.9285      1.00000
      6     -20.8982      1.00000
      7     -20.5588      1.00000
      8     -20.5390      1.00000
      9     -20.5282      1.00000
     10     -19.9919      1.00000
     11     -19.4670      1.00000
     12     -19.4346      1.00000
     13     -19.2811      1.00000
     14     -19.2544      1.00000
     15     -18.4000      1.00000
     16     -18.3684      1.00000
     17     -17.8976      1.00000
     18     -17.8659      1.00000
     19     -17.7153      1.00000
     20     -17.6814      1.00000
     21     -17.4128      1.00000
     22     -17.3825      1.00000
     23     -17.2950      1.00000
     24     -16.4544      1.00000
     25     -16.4150      1.00000
     26     -15.9371      1.00000
     27     -15.3796      1.00000
     28     -15.3514      1.00000
     29     -15.0681      1.00000
     30     -15.0381      1.00000
     31     -14.8101      1.00000
     32     -14.7892      1.00000
     33     -14.2863      1.00000
     34     -14.2156      1.00000
     35     -13.4433      1.00000
     36     -13.3614      1.00000
     37     -13.1530      1.00000
     38     -13.1210      1.00000
     39     -12.9613      1.00000
     40     -12.9313      1.00000
     41     -12.5869      1.00000
     42     -12.5593      1.00000
     43     -12.1744      1.00000
     44     -11.5351      1.00000
     45     -11.4990      1.00000
     46     -11.2737      1.00000
     47     -11.2450      1.00000
     48     -11.1314      1.00000
     49     -10.7663      1.00000
     50     -10.6267      1.00000
     51     -10.4496      1.00000
     52     -10.2819      1.00000
     53     -10.2756      1.00000
     54     -10.1663      1.00000
     55     -10.0895      1.00000
     56     -10.0562      1.00000
     57      -9.8057      1.00000
     58      -9.7046      1.00000
     59      -9.6910      1.00000
     60      -9.6842      1.00000
     61      -9.6704      1.00000
     62      -9.6044      1.00000
     63      -9.3446      1.00000
     64      -9.3171      1.00000
     65      -9.2869      1.00000
     66      -8.9689      1.00000
     67      -8.9297      1.00000
     68      -8.8790      1.00000
     69      -8.7472      1.00000
     70      -8.5599      1.00000
     71      -8.4831      1.00000
     72      -8.4001      1.00000
     73      -8.3602      1.00000
     74      -8.2859      1.00000
     75      -8.2402      1.00000
     76      -8.2248      1.00000
     77      -8.2095      1.00000
     78      -8.1933      1.00000
     79      -7.9942      1.00000
     80      -7.7797      1.00000
     81      -7.4139      1.00000
     82      -7.3190      1.00000
     83      -7.2397      1.00000
     84      -7.1405      1.00000
     85      -7.0953      1.00000
     86      -6.9561      1.00000
     87      -6.9088      1.00000
     88      -6.5847      1.00000
     89      -6.5578      1.00000
     90      -6.4342      1.00000
     91      -6.2471      1.00000
     92      -5.9034      1.00000
     93      -5.8227      1.00000
     94      -5.6749      1.00000
     95      -5.5838      1.00000
     96      -5.2948      1.00000
     97      -5.2599      1.00000
     98      -5.1840      1.00000
     99      -5.1839      1.00000
    100      -5.1604      1.00000
    101      -4.5222      1.00000
    102      -4.4552      1.00000
    103      -4.3979      1.00000
    104      -4.0762      1.00000
    105      -3.9276      1.00000
    106      -3.5171      1.00000
    107      -2.8161      0.00000
    108      -1.8053      0.00000
    109      -1.7931      0.00000
    110      -1.0784      0.00000
    111      -1.0107      0.00000
    112      -0.9265      0.00000
    113      -0.6552      0.00000
    114      -0.6059      0.00000
    115      -0.5706      0.00000
    116      -0.5279      0.00000
    117       0.1595      0.00000
    118       0.2625      0.00000
    119       0.7106      0.00000
    120       0.9745      0.00000
    121       1.0947      0.00000
    122       1.2568      0.00000
    123       1.4252      0.00000
    124       1.5342      0.00000
    125       1.6017      0.00000
    126       1.6283      0.00000
    127       1.6492      0.00000
    128       1.8452      0.00000
    129       1.9359      0.00000
    130       2.1111      0.00000
    131       2.2075      0.00000
    132       2.3418      0.00000
    133       2.3730      0.00000
    134       2.4712      0.00000
    135       2.6033      0.00000
    136       2.6620      0.00000
    137       2.7364      0.00000
    138       2.7455      0.00000
    139       2.8510      0.00000
    140       2.9589      0.00000
    141       3.0508      0.00000
    142       3.0732      0.00000
    143       3.1920      0.00000
    144       3.2881      0.00000
    145       3.3352      0.00000
    146       3.3434      0.00000
    147       3.4732      0.00000
    148       3.5296      0.00000
    149       3.5631      0.00000
    150       3.6015      0.00000
    151       3.6176      0.00000
    152       3.6922      0.00000
    153       3.7343      0.00000
    154       3.7714      0.00000
    155       3.7792      0.00000
    156       3.8515      0.00000
    157       3.9292      0.00000
    158       4.0115      0.00000
    159       4.0359      0.00000
    160       4.2811      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3724      1.00000
      2     -21.5045      1.00000
      3     -21.4312      1.00000
      4     -21.4299      1.00000
      5     -21.4181      1.00000
      6     -21.4080      1.00000
      7     -21.4044      1.00000
      8     -19.6655      1.00000
      9     -19.5976      1.00000
     10     -19.5925      1.00000
     11     -19.5797      1.00000
     12     -19.5681      1.00000
     13     -19.5654      1.00000
     14     -18.7649      1.00000
     15     -18.7040      1.00000
     16     -18.6961      1.00000
     17     -18.6826      1.00000
     18     -18.6742      1.00000
     19     -18.6703      1.00000
     20     -16.6308      1.00000
     21     -16.5494      1.00000
     22     -16.5444      1.00000
     23     -16.5347      1.00000
     24     -16.5261      1.00000
     25     -16.5226      1.00000
     26     -15.6081      1.00000
     27     -15.5645      1.00000
     28     -15.5244      1.00000
     29     -15.5217      1.00000
     30     -15.5187      1.00000
     31     -15.5156      1.00000
     32     -14.2562      1.00000
     33     -14.2210      1.00000
     34     -14.1955      1.00000
     35     -14.1937      1.00000
     36     -14.1748      1.00000
     37     -14.1716      1.00000
     38     -11.9844      1.00000
     39     -11.8718      1.00000
     40     -11.8245      1.00000
     41     -11.8094      1.00000
     42     -11.8088      1.00000
     43     -11.8023      1.00000
     44     -11.7301      1.00000
     45     -11.7209      1.00000
     46     -11.7073      1.00000
     47     -11.6981      1.00000
     48     -11.6870      1.00000
     49     -11.6832      1.00000
     50     -10.6441      1.00000
     51     -10.3751      1.00000
     52     -10.3569      1.00000
     53     -10.3379      1.00000
     54     -10.3279      1.00000
     55     -10.3197      1.00000
     56     -10.2953      1.00000
     57      -9.7914      1.00000
     58      -9.4113      1.00000
     59      -9.3903      1.00000
     60      -9.3527      1.00000
     61      -9.3420      1.00000
     62      -9.3330      1.00000
     63      -9.1762      1.00000
     64      -9.0772      1.00000
     65      -9.0751      1.00000
     66      -9.0645      1.00000
     67      -9.0614      1.00000
     68      -9.0327      1.00000
     69      -9.0261      1.00000
     70      -9.0259      1.00000
     71      -9.0160      1.00000
     72      -9.0055      1.00000
     73      -8.9936      1.00000
     74      -8.9725      1.00000
     75      -7.9872      1.00000
     76      -7.7009      1.00000
     77      -7.5053      1.00000
     78      -7.4855      1.00000
     79      -7.4588      1.00000
     80      -7.4129      1.00000
     81      -7.3979      1.00000
     82      -7.3784      1.00000
     83      -7.3474      1.00000
     84      -7.2237      1.00000
     85      -7.1820      1.00000
     86      -7.1771      1.00000
     87      -7.1738      1.00000
     88      -6.6146      1.00000
     89      -6.5771      1.00000
     90      -6.3655      1.00000
     91      -6.3566      1.00000
     92      -6.3172      1.00000
     93      -6.2938      1.00000
     94      -5.9454      1.00000
     95      -5.8918      1.00000
     96      -5.3610      1.00000
     97      -5.1926      1.00000
     98      -4.8397      1.00000
     99      -4.7156      1.00000
    100      -4.3637      1.00000
    101      -4.3572      1.00000
    102      -4.3464      1.00000
    103      -4.3346      1.00000
    104      -4.1688      1.00000
    105      -3.9335      1.00000
    106      -3.5922      1.00000
    107      -2.9222      0.00000
    108      -1.5543      0.00000
    109      -1.5500      0.00000
    110      -1.5374      0.00000
    111      -1.5365      0.00000
    112      -1.4801      0.00000
    113      -1.4633      0.00000
    114       0.0757      0.00000
    115       0.2357      0.00000
    116       0.2804      0.00000
    117       0.3016      0.00000
    118       0.3070      0.00000
    119       0.3744      0.00000
    120       0.6135      0.00000
    121       1.2669      0.00000
    122       1.3666      0.00000
    123       1.6982      0.00000
    124       1.7559      0.00000
    125       1.7829      0.00000
    126       1.7882      0.00000
    127       1.8508      0.00000
    128       1.8731      0.00000
    129       1.9999      0.00000
    130       2.0052      0.00000
    131       2.0161      0.00000
    132       2.0216      0.00000
    133       2.0235      0.00000
    134       2.0851      0.00000
    135       2.3132      0.00000
    136       2.4600      0.00000
    137       2.5761      0.00000
    138       2.5959      0.00000
    139       2.6310      0.00000
    140       2.7378      0.00000
    141       2.8418      0.00000
    142       3.0309      0.00000
    143       3.0426      0.00000
    144       3.0580      0.00000
    145       3.0765      0.00000
    146       3.0927      0.00000
    147       3.1058      0.00000
    148       3.4446      0.00000
    149       3.5414      0.00000
    150       3.5838      0.00000
    151       3.9083      0.00000
    152       3.9186      0.00000
    153       3.9497      0.00000
    154       3.9522      0.00000
    155       3.9781      0.00000
    156       4.0505      0.00000
    157       4.1590      0.00000
    158       4.2090      0.00000
    159       4.2551      0.00000
    160       4.2622      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3349      1.00000
      2     -21.7724      1.00000
      3     -21.5978      1.00000
      4     -21.5674      1.00000
      5     -21.2226      1.00000
      6     -21.1946      1.00000
      7     -21.0208      1.00000
      8     -20.1199      1.00000
      9     -20.0876      1.00000
     10     -19.5723      1.00000
     11     -19.5454      1.00000
     12     -19.3784      1.00000
     13     -19.0503      1.00000
     14     -19.0196      1.00000
     15     -19.0056      1.00000
     16     -18.9948      1.00000
     17     -18.3283      1.00000
     18     -18.3045      1.00000
     19     -17.9816      1.00000
     20     -17.0357      1.00000
     21     -16.9843      1.00000
     22     -16.9177      1.00000
     23     -16.8989      1.00000
     24     -16.4375      1.00000
     25     -16.4153      1.00000
     26     -15.5907      1.00000
     27     -15.5575      1.00000
     28     -15.2361      1.00000
     29     -15.1957      1.00000
     30     -15.1321      1.00000
     31     -15.0578      1.00000
     32     -15.0294      1.00000
     33     -14.6699      1.00000
     34     -14.6507      1.00000
     35     -13.7066      1.00000
     36     -13.6805      1.00000
     37     -13.2018      1.00000
     38     -12.5980      1.00000
     39     -12.5413      1.00000
     40     -12.4199      1.00000
     41     -12.4034      1.00000
     42     -12.1106      1.00000
     43     -12.0689      1.00000
     44     -11.6971      1.00000
     45     -11.6477      1.00000
     46     -11.2346      1.00000
     47     -11.1897      1.00000
     48     -11.0082      1.00000
     49     -10.9714      1.00000
     50     -10.9102      1.00000
     51     -10.8662      1.00000
     52     -10.5301      1.00000
     53     -10.1285      1.00000
     54     -10.1221      1.00000
     55     -10.0808      1.00000
     56      -9.9190      1.00000
     57      -9.7075      1.00000
     58      -9.6699      1.00000
     59      -9.6123      1.00000
     60      -9.5826      1.00000
     61      -9.5440      1.00000
     62      -9.4795      1.00000
     63      -9.2959      1.00000
     64      -9.2769      1.00000
     65      -9.2296      1.00000
     66      -9.1756      1.00000
     67      -9.1104      1.00000
     68      -9.0756      1.00000
     69      -9.0651      1.00000
     70      -8.9051      1.00000
     71      -8.8465      1.00000
     72      -8.6039      1.00000
     73      -8.5659      1.00000
     74      -8.1227      1.00000
     75      -8.0447      1.00000
     76      -7.9498      1.00000
     77      -7.8306      1.00000
     78      -7.7919      1.00000
     79      -7.7287      1.00000
     80      -7.6932      1.00000
     81      -7.3486      1.00000
     82      -7.3340      1.00000
     83      -7.3268      1.00000
     84      -7.2701      1.00000
     85      -7.0658      1.00000
     86      -6.9824      1.00000
     87      -6.8254      1.00000
     88      -6.7507      1.00000
     89      -6.6427      1.00000
     90      -6.5644      1.00000
     91      -6.1383      1.00000
     92      -6.1041      1.00000
     93      -6.0937      1.00000
     94      -5.9665      1.00000
     95      -5.7348      1.00000
     96      -5.3971      1.00000
     97      -5.2074      1.00000
     98      -4.9399      1.00000
     99      -4.7990      1.00000
    100      -4.6380      1.00000
    101      -4.5374      1.00000
    102      -4.4855      1.00000
    103      -4.3645      1.00000
    104      -4.0452      1.00000
    105      -3.8149      1.00000
    106      -3.5694      1.00000
    107      -2.9443      0.00000
    108      -1.7191      0.00000
    109      -1.6763      0.00000
    110      -1.2935      0.00000
    111      -1.2728      0.00000
    112      -1.2457      0.00000
    113      -1.2132      0.00000
    114      -0.5604      0.00000
    115      -0.1920      0.00000
    116      -0.1702      0.00000
    117       0.6288      0.00000
    118       0.6765      0.00000
    119       0.7256      0.00000
    120       0.9855      0.00000
    121       1.1166      0.00000
    122       1.2409      0.00000
    123       1.3401      0.00000
    124       1.4447      0.00000
    125       1.4958      0.00000
    126       1.7397      0.00000
    127       1.7622      0.00000
    128       1.7989      0.00000
    129       1.8548      0.00000
    130       1.9501      0.00000
    131       2.1700      0.00000
    132       2.2103      0.00000
    133       2.2594      0.00000
    134       2.4284      0.00000
    135       2.5060      0.00000
    136       2.6083      0.00000
    137       2.6887      0.00000
    138       2.6960      0.00000
    139       2.7763      0.00000
    140       2.7990      0.00000
    141       2.8525      0.00000
    142       2.8567      0.00000
    143       2.9933      0.00000
    144       3.0601      0.00000
    145       3.2679      0.00000
    146       3.3559      0.00000
    147       3.3674      0.00000
    148       3.4433      0.00000
    149       3.5223      0.00000
    150       3.5760      0.00000
    151       3.6502      0.00000
    152       3.7224      0.00000
    153       3.7622      0.00000
    154       3.9288      0.00000
    155       3.9555      0.00000
    156       4.0365      0.00000
    157       4.0793      0.00000
    158       4.1606      0.00000
    159       4.2366      0.00000
    160       4.2680      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2233      1.00000
      2     -22.0318      1.00000
      3     -21.6722      1.00000
      4     -21.6423      1.00000
      5     -20.9286      1.00000
      6     -20.8977      1.00000
      7     -20.5681      1.00000
      8     -20.5335      1.00000
      9     -20.5244      1.00000
     10     -19.9918      1.00000
     11     -19.4667      1.00000
     12     -19.4375      1.00000
     13     -19.2748      1.00000
     14     -19.2547      1.00000
     15     -18.4063      1.00000
     16     -18.3684      1.00000
     17     -17.8956      1.00000
     18     -17.8657      1.00000
     19     -17.7179      1.00000
     20     -17.6831      1.00000
     21     -17.4081      1.00000
     22     -17.3838      1.00000
     23     -17.3054      1.00000
     24     -16.4330      1.00000
     25     -16.4127      1.00000
     26     -15.9179      1.00000
     27     -15.3897      1.00000
     28     -15.3597      1.00000
     29     -15.0734      1.00000
     30     -15.0459      1.00000
     31     -14.8382      1.00000
     32     -14.8040      1.00000
     33     -14.2534      1.00000
     34     -14.2159      1.00000
     35     -13.4117      1.00000
     36     -13.3622      1.00000
     37     -13.1605      1.00000
     38     -13.1310      1.00000
     39     -12.9367      1.00000
     40     -12.9269      1.00000
     41     -12.6031      1.00000
     42     -12.5708      1.00000
     43     -12.1696      1.00000
     44     -11.5642      1.00000
     45     -11.5036      1.00000
     46     -11.3015      1.00000
     47     -11.2503      1.00000
     48     -11.1211      1.00000
     49     -10.6822      1.00000
     50     -10.6328      1.00000
     51     -10.4483      1.00000
     52     -10.2877      1.00000
     53     -10.2752      1.00000
     54     -10.1608      1.00000
     55     -10.0842      1.00000
     56     -10.0708      1.00000
     57      -9.7891      1.00000
     58      -9.7390      1.00000
     59      -9.6952      1.00000
     60      -9.6743      1.00000
     61      -9.6598      1.00000
     62      -9.5981      1.00000
     63      -9.3384      1.00000
     64      -9.3208      1.00000
     65      -9.2878      1.00000
     66      -9.0301      1.00000
     67      -8.9327      1.00000
     68      -8.8423      1.00000
     69      -8.7614      1.00000
     70      -8.5922      1.00000
     71      -8.4961      1.00000
     72      -8.3701      1.00000
     73      -8.3634      1.00000
     74      -8.3040      1.00000
     75      -8.2445      1.00000
     76      -8.2424      1.00000
     77      -8.2241      1.00000
     78      -8.1966      1.00000
     79      -7.8734      1.00000
     80      -7.7449      1.00000
     81      -7.3704      1.00000
     82      -7.3157      1.00000
     83      -7.2988      1.00000
     84      -7.2071      1.00000
     85      -7.1802      1.00000
     86      -6.9498      1.00000
     87      -6.9314      1.00000
     88      -6.5934      1.00000
     89      -6.5392      1.00000
     90      -6.2655      1.00000
     91      -6.2013      1.00000
     92      -5.9822      1.00000
     93      -5.8153      1.00000
     94      -5.6693      1.00000
     95      -5.5143      1.00000
     96      -5.3310      1.00000
     97      -5.3056      1.00000
     98      -5.1926      1.00000
     99      -5.1901      1.00000
    100      -5.1079      1.00000
    101      -4.6898      1.00000
    102      -4.5494      1.00000
    103      -4.4512      1.00000
    104      -3.9151      1.00000
    105      -3.7077      1.00000
    106      -3.5353      1.00000
    107      -2.9665      0.00000
    108      -1.8177      0.00000
    109      -1.7626      0.00000
    110      -1.0862      0.00000
    111      -0.9721      0.00000
    112      -0.9418      0.00000
    113      -0.6479      0.00000
    114      -0.6058      0.00000
    115      -0.5693      0.00000
    116      -0.5314      0.00000
    117       0.1755      0.00000
    118       0.2566      0.00000
    119       0.7889      0.00000
    120       1.0057      0.00000
    121       1.1139      0.00000
    122       1.1678      0.00000
    123       1.3564      0.00000
    124       1.4796      0.00000
    125       1.5908      0.00000
    126       1.5953      0.00000
    127       1.6837      0.00000
    128       1.9066      0.00000
    129       1.9486      0.00000
    130       2.0277      0.00000
    131       2.1864      0.00000
    132       2.3423      0.00000
    133       2.3885      0.00000
    134       2.4108      0.00000
    135       2.5966      0.00000
    136       2.6844      0.00000
    137       2.7398      0.00000
    138       2.7782      0.00000
    139       2.8370      0.00000
    140       3.0036      0.00000
    141       3.0521      0.00000
    142       3.0825      0.00000
    143       3.1379      0.00000
    144       3.2578      0.00000
    145       3.3289      0.00000
    146       3.3890      0.00000
    147       3.4525      0.00000
    148       3.5407      0.00000
    149       3.5742      0.00000
    150       3.6017      0.00000
    151       3.6786      0.00000
    152       3.7032      0.00000
    153       3.7644      0.00000
    154       3.7856      0.00000
    155       3.7924      0.00000
    156       3.9363      0.00000
    157       3.9396      0.00000
    158       4.0343      0.00000
    159       4.1968      0.00000
    160       4.2614      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2602      1.00000
      2     -21.8891      1.00000
      3     -21.8757      1.00000
      4     -21.3273      1.00000
      5     -21.3155      1.00000
      6     -20.7717      1.00000
      7     -20.7563      1.00000
      8     -20.5791      1.00000
      9     -20.0308      1.00000
     10     -20.0279      1.00000
     11     -19.6721      1.00000
     12     -19.6578      1.00000
     13     -18.9492      1.00000
     14     -18.9489      1.00000
     15     -18.5937      1.00000
     16     -18.5934      1.00000
     17     -18.4186      1.00000
     18     -17.6435      1.00000
     19     -17.5880      1.00000
     20     -17.5658      1.00000
     21     -17.5604      1.00000
     22     -17.0744      1.00000
     23     -17.0730      1.00000
     24     -16.9206      1.00000
     25     -15.9540      1.00000
     26     -15.9051      1.00000
     27     -15.5486      1.00000
     28     -15.5314      1.00000
     29     -15.2693      1.00000
     30     -14.8178      1.00000
     31     -14.7947      1.00000
     32     -14.5415      1.00000
     33     -14.5104      1.00000
     34     -14.1326      1.00000
     35     -14.1283      1.00000
     36     -13.1049      1.00000
     37     -13.0421      1.00000
     38     -13.0179      1.00000
     39     -12.9874      1.00000
     40     -12.6762      1.00000
     41     -12.6744      1.00000
     42     -12.2889      1.00000
     43     -12.2818      1.00000
     44     -11.6535      1.00000
     45     -11.6006      1.00000
     46     -11.5405      1.00000
     47     -10.9413      1.00000
     48     -10.8919      1.00000
     49     -10.6374      1.00000
     50     -10.5970      1.00000
     51     -10.4756      1.00000
     52     -10.4650      1.00000
     53     -10.4061      1.00000
     54     -10.4035      1.00000
     55     -10.3148      1.00000
     56     -10.0401      1.00000
     57      -9.8760      1.00000
     58      -9.5856      1.00000
     59      -9.5209      1.00000
     60      -9.5029      1.00000
     61      -9.3793      1.00000
     62      -9.3713      1.00000
     63      -9.3407      1.00000
     64      -9.2945      1.00000
     65      -9.2424      1.00000
     66      -9.1706      1.00000
     67      -9.1274      1.00000
     68      -9.0837      1.00000
     69      -8.8457      1.00000
     70      -8.8253      1.00000
     71      -8.6816      1.00000
     72      -8.5745      1.00000
     73      -8.4197      1.00000
     74      -8.1997      1.00000
     75      -8.1531      1.00000
     76      -7.9731      1.00000
     77      -7.8833      1.00000
     78      -7.8201      1.00000
     79      -7.7930      1.00000
     80      -7.7665      1.00000
     81      -7.6760      1.00000
     82      -7.6208      1.00000
     83      -7.4098      1.00000
     84      -7.3509      1.00000
     85      -6.8998      1.00000
     86      -6.8920      1.00000
     87      -6.7308      1.00000
     88      -6.6474      1.00000
     89      -6.4089      1.00000
     90      -6.3307      1.00000
     91      -6.2895      1.00000
     92      -6.1841      1.00000
     93      -5.9730      1.00000
     94      -5.5816      1.00000
     95      -5.4782      1.00000
     96      -5.4118      1.00000
     97      -5.3708      1.00000
     98      -5.1940      1.00000
     99      -5.1069      1.00000
    100      -4.7531      1.00000
    101      -4.7036      1.00000
    102      -4.5694      1.00000
    103      -4.4195      1.00000
    104      -4.2018      1.00000
    105      -3.5531      1.00000
    106      -3.3956      1.00000
    107      -3.0494      0.00000
    108      -2.1033      0.00000
    109      -1.2459      0.00000
    110      -1.2044      0.00000
    111      -1.1759      0.00000
    112      -0.9330      0.00000
    113      -0.8335      0.00000
    114      -0.7844      0.00000
    115      -0.7021      0.00000
    116       0.1961      0.00000
    117       0.2013      0.00000
    118       0.3058      0.00000
    119       0.7673      0.00000
    120       0.8218      0.00000
    121       0.9127      0.00000
    122       1.1192      0.00000
    123       1.3274      0.00000
    124       1.5066      0.00000
    125       1.5803      0.00000
    126       1.8079      0.00000
    127       1.8343      0.00000
    128       1.8735      0.00000
    129       1.9666      0.00000
    130       1.9823      0.00000
    131       2.2519      0.00000
    132       2.4079      0.00000
    133       2.4087      0.00000
    134       2.4269      0.00000
    135       2.5585      0.00000
    136       2.5848      0.00000
    137       2.6294      0.00000
    138       2.7161      0.00000
    139       2.7341      0.00000
    140       2.9601      0.00000
    141       3.0537      0.00000
    142       3.1267      0.00000
    143       3.1899      0.00000
    144       3.2329      0.00000
    145       3.2361      0.00000
    146       3.3092      0.00000
    147       3.3318      0.00000
    148       3.5151      0.00000
    149       3.5186      0.00000
    150       3.6255      0.00000
    151       3.6967      0.00000
    152       3.7248      0.00000
    153       3.7997      0.00000
    154       3.9279      0.00000
    155       3.9807      0.00000
    156       3.9840      0.00000
    157       3.9944      0.00000
    158       4.0078      0.00000
    159       4.0341      0.00000
    160       4.1394      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1286      1.00000
      2     -22.0895      1.00000
      3     -21.9185      1.00000
      4     -21.3592      1.00000
      5     -21.0045      1.00000
      6     -20.9686      1.00000
      7     -20.4529      1.00000
      8     -20.4149      1.00000
      9     -20.2615      1.00000
     10     -20.2316      1.00000
     11     -19.9011      1.00000
     12     -19.8631      1.00000
     13     -18.8283      1.00000
     14     -18.7845      1.00000
     15     -18.3121      1.00000
     16     -18.2615      1.00000
     17     -18.1215      1.00000
     18     -18.0924      1.00000
     19     -17.7857      1.00000
     20     -17.7466      1.00000
     21     -17.2258      1.00000
     22     -17.1946      1.00000
     23     -17.1328      1.00000
     24     -17.0940      1.00000
     25     -16.0581      1.00000
     26     -15.8601      1.00000
     27     -15.8221      1.00000
     28     -15.7898      1.00000
     29     -15.2095      1.00000
     30     -14.5308      1.00000
     31     -14.4850      1.00000
     32     -14.2539      1.00000
     33     -13.9296      1.00000
     34     -13.9181      1.00000
     35     -13.7921      1.00000
     36     -13.7628      1.00000
     37     -13.5828      1.00000
     38     -13.5344      1.00000
     39     -13.3234      1.00000
     40     -12.5848      1.00000
     41     -12.1760      1.00000
     42     -12.1013      1.00000
     43     -12.0357      1.00000
     44     -11.9905      1.00000
     45     -11.6563      1.00000
     46     -11.6212      1.00000
     47     -11.1386      1.00000
     48     -11.0836      1.00000
     49     -10.7817      1.00000
     50     -10.7052      1.00000
     51     -10.4048      1.00000
     52     -10.1932      1.00000
     53     -10.1681      1.00000
     54     -10.1265      1.00000
     55      -9.9940      1.00000
     56      -9.9824      1.00000
     57      -9.9407      1.00000
     58      -9.7951      1.00000
     59      -9.7702      1.00000
     60      -9.7422      1.00000
     61      -9.7211      1.00000
     62      -9.4386      1.00000
     63      -9.3356      1.00000
     64      -9.0898      1.00000
     65      -9.0439      1.00000
     66      -9.0036      1.00000
     67      -8.8916      1.00000
     68      -8.8259      1.00000
     69      -8.7086      1.00000
     70      -8.6653      1.00000
     71      -8.5676      1.00000
     72      -8.5084      1.00000
     73      -8.4729      1.00000
     74      -8.4375      1.00000
     75      -8.3321      1.00000
     76      -8.1984      1.00000
     77      -8.0666      1.00000
     78      -7.9807      1.00000
     79      -7.9066      1.00000
     80      -7.8806      1.00000
     81      -7.6954      1.00000
     82      -7.5618      1.00000
     83      -7.4941      1.00000
     84      -6.9792      1.00000
     85      -6.9093      1.00000
     86      -6.8594      1.00000
     87      -6.7414      1.00000
     88      -6.5205      1.00000
     89      -6.4687      1.00000
     90      -6.3796      1.00000
     91      -6.1927      1.00000
     92      -5.9300      1.00000
     93      -5.7963      1.00000
     94      -5.7502      1.00000
     95      -5.5571      1.00000
     96      -5.3763      1.00000
     97      -5.2437      1.00000
     98      -5.1960      1.00000
     99      -5.1821      1.00000
    100      -5.1225      1.00000
    101      -4.8095      1.00000
    102      -4.5393      1.00000
    103      -4.4575      1.00000
    104      -4.2458      1.00000
    105      -3.5541      1.00000
    106      -3.2902      1.00000
    107      -2.9391      0.00000
    108      -2.3440      0.00000
    109      -1.1834      0.00000
    110      -1.1644      0.00000
    111      -1.1151      0.00000
    112      -1.0593      0.00000
    113      -0.5037      0.00000
    114      -0.4567      0.00000
    115      -0.2978      0.00000
    116      -0.2728      0.00000
    117       0.0003      0.00000
    118       0.0352      0.00000
    119       0.5317      0.00000
    120       0.6424      0.00000
    121       0.8833      0.00000
    122       0.9797      0.00000
    123       1.1890      0.00000
    124       1.5331      0.00000
    125       1.7611      0.00000
    126       1.7806      0.00000
    127       2.0081      0.00000
    128       2.1165      0.00000
    129       2.1330      0.00000
    130       2.1472      0.00000
    131       2.2611      0.00000
    132       2.3081      0.00000
    133       2.3579      0.00000
    134       2.4616      0.00000
    135       2.6682      0.00000
    136       2.7566      0.00000
    137       2.7977      0.00000
    138       2.8794      0.00000
    139       2.9613      0.00000
    140       2.9979      0.00000
    141       3.0553      0.00000
    142       3.1104      0.00000
    143       3.1650      0.00000
    144       3.2346      0.00000
    145       3.2652      0.00000
    146       3.2969      0.00000
    147       3.3277      0.00000
    148       3.3499      0.00000
    149       3.4004      0.00000
    150       3.5349      0.00000
    151       3.6132      0.00000
    152       3.6706      0.00000
    153       3.6958      0.00000
    154       3.7094      0.00000
    155       3.7300      0.00000
    156       3.7903      0.00000
    157       3.9590      0.00000
    158       4.0590      0.00000
    159       4.1343      0.00000
    160       4.2634      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2598      1.00000
      2     -21.9016      1.00000
      3     -21.8633      1.00000
      4     -21.3389      1.00000
      5     -21.3033      1.00000
      6     -20.7833      1.00000
      7     -20.7449      1.00000
      8     -20.5789      1.00000
      9     -20.0481      1.00000
     10     -20.0124      1.00000
     11     -19.6813      1.00000
     12     -19.6465      1.00000
     13     -18.9689      1.00000
     14     -18.9314      1.00000
     15     -18.6130      1.00000
     16     -18.5757      1.00000
     17     -18.4182      1.00000
     18     -17.6331      1.00000
     19     -17.5880      1.00000
     20     -17.5670      1.00000
     21     -17.5496      1.00000
     22     -17.0987      1.00000
     23     -17.0562      1.00000
     24     -16.9385      1.00000
     25     -15.9818      1.00000
     26     -15.8704      1.00000
     27     -15.5679      1.00000
     28     -15.5289      1.00000
     29     -15.2321      1.00000
     30     -14.8499      1.00000
     31     -14.7921      1.00000
     32     -14.5389      1.00000
     33     -14.5008      1.00000
     34     -14.1289      1.00000
     35     -14.1170      1.00000
     36     -13.1564      1.00000
     37     -13.0506      1.00000
     38     -12.9969      1.00000
     39     -12.9769      1.00000
     40     -12.7002      1.00000
     41     -12.6549      1.00000
     42     -12.2985      1.00000
     43     -12.2789      1.00000
     44     -11.6197      1.00000
     45     -11.5865      1.00000
     46     -11.5265      1.00000
     47     -10.9232      1.00000
     48     -10.8971      1.00000
     49     -10.7127      1.00000
     50     -10.5670      1.00000
     51     -10.5347      1.00000
     52     -10.4664      1.00000
     53     -10.4262      1.00000
     54     -10.3669      1.00000
     55     -10.3158      1.00000
     56     -10.0346      1.00000
     57      -9.8705      1.00000
     58      -9.6024      1.00000
     59      -9.5231      1.00000
     60      -9.4550      1.00000
     61      -9.4042      1.00000
     62      -9.3729      1.00000
     63      -9.3423      1.00000
     64      -9.2979      1.00000
     65      -9.2458      1.00000
     66      -9.1348      1.00000
     67      -9.0885      1.00000
     68      -9.0718      1.00000
     69      -8.8514      1.00000
     70      -8.8330      1.00000
     71      -8.7033      1.00000
     72      -8.5603      1.00000
     73      -8.4380      1.00000
     74      -8.1979      1.00000
     75      -8.1700      1.00000
     76      -8.0391      1.00000
     77      -7.8668      1.00000
     78      -7.8042      1.00000
     79      -7.7709      1.00000
     80      -7.7179      1.00000
     81      -7.6797      1.00000
     82      -7.6416      1.00000
     83      -7.4471      1.00000
     84      -7.3083      1.00000
     85      -6.9197      1.00000
     86      -6.8884      1.00000
     87      -6.7761      1.00000
     88      -6.5576      1.00000
     89      -6.3894      1.00000
     90      -6.3228      1.00000
     91      -6.2777      1.00000
     92      -6.1699      1.00000
     93      -6.0679      1.00000
     94      -5.7832      1.00000
     95      -5.5322      1.00000
     96      -5.3566      1.00000
     97      -5.2044      1.00000
     98      -5.1776      1.00000
     99      -5.0302      1.00000
    100      -4.8138      1.00000
    101      -4.6693      1.00000
    102      -4.4930      1.00000
    103      -4.4311      1.00000
    104      -4.2371      1.00000
    105      -3.6321      1.00000
    106      -3.5456      1.00000
    107      -2.8453      0.00000
    108      -2.1358      0.00000
    109      -1.2461      0.00000
    110      -1.1894      0.00000
    111      -1.1784      0.00000
    112      -0.8862      0.00000
    113      -0.8675      0.00000
    114      -0.7865      0.00000
    115      -0.7536      0.00000
    116       0.1428      0.00000
    117       0.2442      0.00000
    118       0.3165      0.00000
    119       0.7200      0.00000
    120       0.8574      0.00000
    121       0.9364      0.00000
    122       1.1658      0.00000
    123       1.2606      0.00000
    124       1.5198      0.00000
    125       1.5771      0.00000
    126       1.7986      0.00000
    127       1.8835      0.00000
    128       1.8876      0.00000
    129       1.9653      0.00000
    130       2.0494      0.00000
    131       2.2214      0.00000
    132       2.3351      0.00000
    133       2.4277      0.00000
    134       2.4402      0.00000
    135       2.5786      0.00000
    136       2.6075      0.00000
    137       2.6653      0.00000
    138       2.7170      0.00000
    139       2.7533      0.00000
    140       2.8924      0.00000
    141       3.0402      0.00000
    142       3.1379      0.00000
    143       3.1980      0.00000
    144       3.2223      0.00000
    145       3.2403      0.00000
    146       3.2814      0.00000
    147       3.3280      0.00000
    148       3.4431      0.00000
    149       3.5416      0.00000
    150       3.6073      0.00000
    151       3.6947      0.00000
    152       3.7114      0.00000
    153       3.8565      0.00000
    154       3.9026      0.00000
    155       3.9295      0.00000
    156       3.9599      0.00000
    157       4.0108      0.00000
    158       4.0143      0.00000
    159       4.0385      0.00000
    160       4.0834      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3348      1.00000
      2     -21.7744      1.00000
      3     -21.5934      1.00000
      4     -21.5688      1.00000
      5     -21.2242      1.00000
      6     -21.1950      1.00000
      7     -21.0194      1.00000
      8     -20.1198      1.00000
      9     -20.0882      1.00000
     10     -19.5769      1.00000
     11     -19.5432      1.00000
     12     -19.3734      1.00000
     13     -19.0610      1.00000
     14     -19.0210      1.00000
     15     -19.0043      1.00000
     16     -18.9866      1.00000
     17     -18.3336      1.00000
     18     -18.3032      1.00000
     19     -17.9743      1.00000
     20     -17.0240      1.00000
     21     -16.9830      1.00000
     22     -16.9258      1.00000
     23     -16.9002      1.00000
     24     -16.4551      1.00000
     25     -16.4200      1.00000
     26     -15.5764      1.00000
     27     -15.5478      1.00000
     28     -15.2043      1.00000
     29     -15.1824      1.00000
     30     -15.1636      1.00000
     31     -15.0838      1.00000
     32     -15.0305      1.00000
     33     -14.6707      1.00000
     34     -14.6437      1.00000
     35     -13.7043      1.00000
     36     -13.6717      1.00000
     37     -13.2082      1.00000
     38     -12.6397      1.00000
     39     -12.5399      1.00000
     40     -12.4269      1.00000
     41     -12.4047      1.00000
     42     -12.0743      1.00000
     43     -12.0525      1.00000
     44     -11.6776      1.00000
     45     -11.6454      1.00000
     46     -11.2873      1.00000
     47     -11.1859      1.00000
     48     -10.9964      1.00000
     49     -10.9653      1.00000
     50     -10.8887      1.00000
     51     -10.8563      1.00000
     52     -10.5624      1.00000
     53     -10.2070      1.00000
     54     -10.1172      1.00000
     55     -10.0605      1.00000
     56      -9.8902      1.00000
     57      -9.6631      1.00000
     58      -9.6630      1.00000
     59      -9.6267      1.00000
     60      -9.6008      1.00000
     61      -9.5328      1.00000
     62      -9.4742      1.00000
     63      -9.3136      1.00000
     64      -9.2657      1.00000
     65      -9.2215      1.00000
     66      -9.1937      1.00000
     67      -9.0961      1.00000
     68      -9.0911      1.00000
     69      -9.0693      1.00000
     70      -8.9032      1.00000
     71      -8.8381      1.00000
     72      -8.5728      1.00000
     73      -8.5599      1.00000
     74      -8.1715      1.00000
     75      -8.0113      1.00000
     76      -7.9477      1.00000
     77      -7.8832      1.00000
     78      -7.7768      1.00000
     79      -7.7280      1.00000
     80      -7.7144      1.00000
     81      -7.4031      1.00000
     82      -7.2835      1.00000
     83      -7.2449      1.00000
     84      -7.2184      1.00000
     85      -7.1531      1.00000
     86      -6.9680      1.00000
     87      -6.8567      1.00000
     88      -6.6943      1.00000
     89      -6.6622      1.00000
     90      -6.5856      1.00000
     91      -6.1602      1.00000
     92      -6.0876      1.00000
     93      -6.0721      1.00000
     94      -5.9094      1.00000
     95      -5.8825      1.00000
     96      -5.3764      1.00000
     97      -5.1906      1.00000
     98      -4.8732      1.00000
     99      -4.8562      1.00000
    100      -4.6465      1.00000
    101      -4.5238      1.00000
    102      -4.3904      1.00000
    103      -4.2661      1.00000
    104      -4.0645      1.00000
    105      -4.0394      1.00000
    106      -3.5638      1.00000
    107      -2.8667      0.00000
    108      -1.7043      0.00000
    109      -1.6991      0.00000
    110      -1.3075      0.00000
    111      -1.2615      0.00000
    112      -1.2310      0.00000
    113      -1.2293      0.00000
    114      -0.5676      0.00000
    115      -0.2550      0.00000
    116      -0.1144      0.00000
    117       0.5839      0.00000
    118       0.6736      0.00000
    119       0.8089      0.00000
    120       0.9571      0.00000
    121       1.1396      0.00000
    122       1.2044      0.00000
    123       1.2812      0.00000
    124       1.4534      0.00000
    125       1.6186      0.00000
    126       1.6870      0.00000
    127       1.7723      0.00000
    128       1.7798      0.00000
    129       1.9130      0.00000
    130       1.9377      0.00000
    131       2.1828      0.00000
    132       2.1951      0.00000
    133       2.2338      0.00000
    134       2.4697      0.00000
    135       2.5029      0.00000
    136       2.5920      0.00000
    137       2.6385      0.00000
    138       2.7081      0.00000
    139       2.8175      0.00000
    140       2.8241      0.00000
    141       2.8608      0.00000
    142       2.9520      0.00000
    143       2.9776      0.00000
    144       3.0209      0.00000
    145       3.1404      0.00000
    146       3.3477      0.00000
    147       3.3774      0.00000
    148       3.4199      0.00000
    149       3.5869      0.00000
    150       3.6096      0.00000
    151       3.6357      0.00000
    152       3.6707      0.00000
    153       3.7833      0.00000
    154       3.8000      0.00000
    155       4.0015      0.00000
    156       4.0339      0.00000
    157       4.0509      0.00000
    158       4.1229      0.00000
    159       4.2331      0.00000
    160       4.3466      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1187      1.00000
      2     -22.1014      1.00000
      3     -21.9165      1.00000
      4     -21.3592      1.00000
      5     -20.9924      1.00000
      6     -20.9809      1.00000
      7     -20.4409      1.00000
      8     -20.4273      1.00000
      9     -20.2478      1.00000
     10     -20.2458      1.00000
     11     -19.8891      1.00000
     12     -19.8742      1.00000
     13     -18.8229      1.00000
     14     -18.7954      1.00000
     15     -18.2842      1.00000
     16     -18.2783      1.00000
     17     -18.1128      1.00000
     18     -18.1064      1.00000
     19     -17.7661      1.00000
     20     -17.7618      1.00000
     21     -17.2301      1.00000
     22     -17.2022      1.00000
     23     -17.1154      1.00000
     24     -17.0992      1.00000
     25     -16.0924      1.00000
     26     -15.8325      1.00000
     27     -15.8221      1.00000
     28     -15.8054      1.00000
     29     -15.1835      1.00000
     30     -14.5116      1.00000
     31     -14.4984      1.00000
     32     -14.2286      1.00000
     33     -13.9642      1.00000
     34     -13.9262      1.00000
     35     -13.7905      1.00000
     36     -13.7776      1.00000
     37     -13.5595      1.00000
     38     -13.5401      1.00000
     39     -13.3302      1.00000
     40     -12.6112      1.00000
     41     -12.1299      1.00000
     42     -12.1186      1.00000
     43     -12.0076      1.00000
     44     -11.9895      1.00000
     45     -11.6525      1.00000
     46     -11.6377      1.00000
     47     -11.1391      1.00000
     48     -11.1022      1.00000
     49     -10.7604      1.00000
     50     -10.7012      1.00000
     51     -10.4423      1.00000
     52     -10.1735      1.00000
     53     -10.1660      1.00000
     54     -10.1492      1.00000
     55     -10.0032      1.00000
     56      -9.9640      1.00000
     57      -9.9370      1.00000
     58      -9.8141      1.00000
     59      -9.7657      1.00000
     60      -9.7435      1.00000
     61      -9.7294      1.00000
     62      -9.4320      1.00000
     63      -9.3325      1.00000
     64      -9.0779      1.00000
     65      -9.0406      1.00000
     66      -8.9686      1.00000
     67      -8.9407      1.00000
     68      -8.8013      1.00000
     69      -8.6836      1.00000
     70      -8.6676      1.00000
     71      -8.5464      1.00000
     72      -8.5146      1.00000
     73      -8.4440      1.00000
     74      -8.4379      1.00000
     75      -8.2998      1.00000
     76      -8.2314      1.00000
     77      -8.1088      1.00000
     78      -8.0489      1.00000
     79      -8.0249      1.00000
     80      -7.7887      1.00000
     81      -7.6008      1.00000
     82      -7.5927      1.00000
     83      -7.4606      1.00000
     84      -7.0033      1.00000
     85      -6.9489      1.00000
     86      -6.8632      1.00000
     87      -6.5743      1.00000
     88      -6.5413      1.00000
     89      -6.4592      1.00000
     90      -6.4065      1.00000
     91      -6.3299      1.00000
     92      -5.9853      1.00000
     93      -5.7692      1.00000
     94      -5.7278      1.00000
     95      -5.5594      1.00000
     96      -5.3796      1.00000
     97      -5.2046      1.00000
     98      -5.1995      1.00000
     99      -5.1780      1.00000
    100      -5.1563      1.00000
    101      -4.6489      1.00000
    102      -4.5014      1.00000
    103      -4.4421      1.00000
    104      -4.3848      1.00000
    105      -3.5713      1.00000
    106      -3.4310      1.00000
    107      -2.7339      0.00000
    108      -2.4084      0.00000
    109      -1.1660      0.00000
    110      -1.1577      0.00000
    111      -1.1473      0.00000
    112      -1.0520      0.00000
    113      -0.4889      0.00000
    114      -0.4788      0.00000
    115      -0.3236      0.00000
    116      -0.2470      0.00000
    117       0.0051      0.00000
    118       0.0077      0.00000
    119       0.5222      0.00000
    120       0.6640      0.00000
    121       0.8205      0.00000
    122       1.0062      0.00000
    123       1.2436      0.00000
    124       1.5009      0.00000
    125       1.7645      0.00000
    126       1.9593      0.00000
    127       1.9598      0.00000
    128       2.0301      0.00000
    129       2.0943      0.00000
    130       2.1818      0.00000
    131       2.2884      0.00000
    132       2.2938      0.00000
    133       2.3601      0.00000
    134       2.5615      0.00000
    135       2.6367      0.00000
    136       2.6841      0.00000
    137       2.8513      0.00000
    138       2.8900      0.00000
    139       2.9653      0.00000
    140       2.9786      0.00000
    141       3.1306      0.00000
    142       3.1438      0.00000
    143       3.1476      0.00000
    144       3.1837      0.00000
    145       3.2466      0.00000
    146       3.2474      0.00000
    147       3.3371      0.00000
    148       3.3575      0.00000
    149       3.4121      0.00000
    150       3.4171      0.00000
    151       3.5142      0.00000
    152       3.6334      0.00000
    153       3.6877      0.00000
    154       3.7069      0.00000
    155       3.8388      0.00000
    156       3.9127      0.00000
    157       3.9682      0.00000
    158       3.9947      0.00000
    159       4.1174      0.00000
    160       4.2061      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2222      1.00000
      2     -22.0342      1.00000
      3     -21.6692      1.00000
      4     -21.6436      1.00000
      5     -20.9285      1.00000
      6     -20.8982      1.00000
      7     -20.5588      1.00000
      8     -20.5390      1.00000
      9     -20.5282      1.00000
     10     -19.9919      1.00000
     11     -19.4670      1.00000
     12     -19.4346      1.00000
     13     -19.2811      1.00000
     14     -19.2544      1.00000
     15     -18.4000      1.00000
     16     -18.3684      1.00000
     17     -17.8976      1.00000
     18     -17.8659      1.00000
     19     -17.7153      1.00000
     20     -17.6814      1.00000
     21     -17.4128      1.00000
     22     -17.3825      1.00000
     23     -17.2950      1.00000
     24     -16.4544      1.00000
     25     -16.4150      1.00000
     26     -15.9371      1.00000
     27     -15.3796      1.00000
     28     -15.3514      1.00000
     29     -15.0681      1.00000
     30     -15.0381      1.00000
     31     -14.8101      1.00000
     32     -14.7892      1.00000
     33     -14.2863      1.00000
     34     -14.2156      1.00000
     35     -13.4433      1.00000
     36     -13.3614      1.00000
     37     -13.1530      1.00000
     38     -13.1210      1.00000
     39     -12.9613      1.00000
     40     -12.9313      1.00000
     41     -12.5869      1.00000
     42     -12.5593      1.00000
     43     -12.1744      1.00000
     44     -11.5351      1.00000
     45     -11.4990      1.00000
     46     -11.2737      1.00000
     47     -11.2450      1.00000
     48     -11.1314      1.00000
     49     -10.7663      1.00000
     50     -10.6267      1.00000
     51     -10.4496      1.00000
     52     -10.2819      1.00000
     53     -10.2756      1.00000
     54     -10.1663      1.00000
     55     -10.0895      1.00000
     56     -10.0562      1.00000
     57      -9.8057      1.00000
     58      -9.7046      1.00000
     59      -9.6910      1.00000
     60      -9.6842      1.00000
     61      -9.6704      1.00000
     62      -9.6044      1.00000
     63      -9.3446      1.00000
     64      -9.3171      1.00000
     65      -9.2869      1.00000
     66      -8.9689      1.00000
     67      -8.9297      1.00000
     68      -8.8790      1.00000
     69      -8.7472      1.00000
     70      -8.5599      1.00000
     71      -8.4831      1.00000
     72      -8.4001      1.00000
     73      -8.3602      1.00000
     74      -8.2859      1.00000
     75      -8.2402      1.00000
     76      -8.2248      1.00000
     77      -8.2095      1.00000
     78      -8.1933      1.00000
     79      -7.9942      1.00000
     80      -7.7797      1.00000
     81      -7.4139      1.00000
     82      -7.3190      1.00000
     83      -7.2397      1.00000
     84      -7.1405      1.00000
     85      -7.0953      1.00000
     86      -6.9561      1.00000
     87      -6.9088      1.00000
     88      -6.5847      1.00000
     89      -6.5578      1.00000
     90      -6.4342      1.00000
     91      -6.2471      1.00000
     92      -5.9034      1.00000
     93      -5.8227      1.00000
     94      -5.6749      1.00000
     95      -5.5838      1.00000
     96      -5.2948      1.00000
     97      -5.2599      1.00000
     98      -5.1840      1.00000
     99      -5.1839      1.00000
    100      -5.1604      1.00000
    101      -4.5222      1.00000
    102      -4.4552      1.00000
    103      -4.3979      1.00000
    104      -4.0762      1.00000
    105      -3.9276      1.00000
    106      -3.5171      1.00000
    107      -2.8161      0.00000
    108      -1.8053      0.00000
    109      -1.7931      0.00000
    110      -1.0784      0.00000
    111      -1.0107      0.00000
    112      -0.9265      0.00000
    113      -0.6552      0.00000
    114      -0.6059      0.00000
    115      -0.5706      0.00000
    116      -0.5279      0.00000
    117       0.1595      0.00000
    118       0.2625      0.00000
    119       0.7106      0.00000
    120       0.9745      0.00000
    121       1.0947      0.00000
    122       1.2568      0.00000
    123       1.4252      0.00000
    124       1.5342      0.00000
    125       1.6017      0.00000
    126       1.6283      0.00000
    127       1.6492      0.00000
    128       1.8452      0.00000
    129       1.9359      0.00000
    130       2.1111      0.00000
    131       2.2075      0.00000
    132       2.3418      0.00000
    133       2.3730      0.00000
    134       2.4712      0.00000
    135       2.6033      0.00000
    136       2.6620      0.00000
    137       2.7363      0.00000
    138       2.7455      0.00000
    139       2.8509      0.00000
    140       2.9588      0.00000
    141       3.0508      0.00000
    142       3.0732      0.00000
    143       3.1920      0.00000
    144       3.2881      0.00000
    145       3.3351      0.00000
    146       3.3434      0.00000
    147       3.4732      0.00000
    148       3.5296      0.00000
    149       3.5631      0.00000
    150       3.6015      0.00000
    151       3.6176      0.00000
    152       3.6922      0.00000
    153       3.7343      0.00000
    154       3.7714      0.00000
    155       3.7792      0.00000
    156       3.8514      0.00000
    157       3.9291      0.00000
    158       4.0114      0.00000
    159       4.0358      0.00000
    160       4.2810      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0449   -6.8607    2.8568   -0.4769   -0.0180   17.1423    0.0975   -0.0751    0.1201   -0.2124
x    -3.1503   -0.0333   -0.0584    0.0253    0.0330   -3.0236    0.0206   -0.0018   -0.0001    0.0000
x    -0.0932   -0.0010    0.0020   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    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   -0.0034    0.0000    0.0011    0.0005    0.0034   -0.0984   -0.0409    0.0695    0.0112
y     0.0429   -3.2493   -0.0989    0.2021   -2.4423   -0.6649
z   204.0449    1.9874    0.0138   -0.0673    0.0181    0.0775   -0.0027   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0615    0.0082    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8196
z    -0.5091    0.0402    0.0746    0.1444   -0.0978   -0.0018
 total charge-density along one line
x   212.0000   -9.6877    4.7911   -1.2798   -0.2534   19.0814   -1.1253    1.0511   -0.6833    0.2217
x    -2.7487   -0.0175   -0.0410    0.0178    0.0339   -2.3073    0.0198    0.0019   -0.0030   -0.0008
x    -0.0822    0.0013   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6877    4.7911   -1.2798   -0.2534   19.0814   -1.1254    1.0511   -0.6833    0.2217
y    -2.7487   -0.0175   -0.0410    0.0178    0.0339   -2.3073    0.0198    0.0019   -0.0030   -0.0008
y    -0.0822    0.0013   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6777  189.4283 -169.4361  151.1854 -136.5190  123.8025 -110.3290   94.7250  -77.7575
z    61.4857  -47.7905   37.3909  -29.8052   23.9878  -19.0495   14.6148  -10.7417    7.6204   -5.3186
z     3.7147   -2.5860    1.7340   -1.0513    0.5103   -0.1138   -0.1450    0.2914   -0.3586    0.3752
z    -0.3626    0.3372   -0.3110    0.2901   -0.2723    0.2505   -0.2190    0.1787   -0.1369    0.1023
z    -0.0795    0.0671   -0.0595    0.0518   -0.0421    0.0320   -0.0237    0.0184   -0.0157    0.0141
z    -0.0126    0.0108   -0.0088    0.0069   -0.0052    0.0039   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.202   0.000   0.103   0.000   0.045   0.233   0.000  -0.012
  0.000 -11.300   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.233   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.202   0.000   0.103   0.000   0.045   0.233   0.000  -0.012
  0.000 -11.300   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.233   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.195   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.267   0.000   0.297   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.069   0.037   0.000  -0.053   0.000   0.000
  0.279   0.000  -0.267   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.109   0.321  -0.102   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.297   0.000   0.182  -0.122   0.000   0.428   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.170   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.195   0.000   0.158   0.000   0.063  -0.109   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.069   0.321   0.000   0.148   0.000  -0.178   1.140  -0.353   0.000  -0.139   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.102   0.000  -0.138   0.000   0.061  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.175  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.139   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.175   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.007   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.783
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.644
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.784   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.776   0.000   2.640
 17        0.849   1.732   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.768   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.864   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.768   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.784   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.581
 42        0.865   1.776   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.644
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.792  89.407   7.854 142.054
 


 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  114.13: CPU time   57.70
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  442.17: CPU time  221.90
    STRESS:  VPU time 1332.58: CPU time  670.56
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force = 0.1316506E-04[-0.968E-05, 0.360E-04]  d Energy = 0.3130474E-04-0.181E-04
 d Force = 0.4175581E-01[ 0.418E-01, 0.417E-01]  d Ewald  =-0.6279864E+00 0.670E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648664 eV

  energy  without entropy=     -469.648664  energy(sigma->0) =     -469.648664
 

  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    40936.95  40982.44 -47642.88     39.40      0.00      0.00
  Hartree  40395.24  40419.99 -39643.75     21.44      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.30      0.00      0.00
  Local   -83623.05 -83690.73  84599.28    -58.61      0.00      0.00
  n-local   -214.73   -206.83   -206.59      5.96      0.00      0.00
  augment     21.81     19.28     20.59     -2.20      0.00      0.00
  Kinetic   3165.46   3163.65   3585.98     -8.01      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.47     -0.33     -0.41      0.12      0.00      0.00
  in kB       -0.28     -0.20     -0.25      0.07      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342121292 -0.001760678  0.000000000     0.081030025  0.046798189  0.000000000
    -6.172592076 10.687706066  0.000000000     0.000013349  0.093573157  0.000000000
     0.000000000  0.000000000 20.000757252     0.000000000  0.000000000  0.049998107

  length of vectors
    12.342121417 12.342121126 20.000757252     0.093573156  0.093573158  0.049998107


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.853E-05 -.311E-04 -.110E+04   0.446E-05 -.262E-04 0.110E+04   0.411E-24 -.169E-20 0.368E+01   0.424E-07 -.224E-07 0.475E-03
   -.268E+02 -.463E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.197E+00   -.105E-03 -.184E-03 -.303E-03
   0.268E+02 0.463E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.197E+00   0.105E-03 0.184E-03 -.303E-03
   -.208E+01 0.120E+01 0.308E+02   0.203E+01 -.117E+01 -.308E+02   0.532E-01 -.307E-01 0.673E-02   -.297E-02 0.171E-02 -.229E-05
   0.657E+01 0.657E+01 0.343E+02   -.653E+01 -.656E+01 -.343E+02   -.317E-01 -.135E-01 -.428E-01   -.321E-02 0.851E-03 0.165E-03
   0.118E+02 0.585E+01 0.251E+02   -.117E+02 -.587E+01 -.250E+02   -.554E-01 0.186E-01 -.119E+00   -.111E-02 0.155E-02 -.427E-03
   0.432E+01 -.110E+01 0.209E+02   -.432E+01 0.111E+01 -.209E+02   -.159E-02 -.303E-02 0.165E-01   0.443E-04 0.283E-03 -.571E-03
   -.285E+01 -.259E+01 0.220E+02   0.286E+01 0.257E+01 -.221E+02   -.319E-02 0.178E-01 0.195E-01   -.194E-02 0.231E-03 -.116E-02
   0.814E+00 0.376E+01 0.220E+02   -.797E+00 -.376E+01 -.221E+02   -.170E-01 -.615E-02 0.195E-01   -.117E-02 0.156E-02 -.117E-02
   0.290E+01 0.187E+02 0.369E+02   -.293E+01 -.186E+02 -.369E+02   0.340E-01 -.210E-01 -.227E-01   -.186E-02 -.159E-02 0.365E-03
   0.204E+02 0.223E+02 0.461E+02   -.204E+02 -.225E+02 -.458E+02   0.190E-02 0.114E+00 -.325E+00   -.357E-02 0.141E-02 0.320E-02
   0.274E+02 -.584E+01 0.229E+02   -.275E+02 0.590E+01 -.229E+02   0.909E-01 -.600E-01 0.776E-02   -.452E-02 0.674E-03 0.193E-03
   0.971E+01 -.561E+01 0.157E+02   -.965E+01 0.557E+01 -.157E+02   -.561E-01 0.324E-01 0.451E-01   -.165E-02 0.948E-03 -.140E-02
   0.311E+01 -.319E+01 0.209E+02   -.312E+01 0.319E+01 -.209E+02   0.183E-02 0.290E-02 0.165E-01   -.225E-03 -.184E-03 -.583E-03
   -.693E+01 0.128E+02 0.240E+02   0.690E+01 -.128E+02 -.240E+02   0.228E-01 -.431E-02 0.180E-01   -.594E-03 0.260E-02 -.303E-03
   -.134E+02 0.311E+02 0.321E+02   0.133E+02 -.315E+02 -.323E+02   0.109E+00 0.441E+00 0.278E+00   0.950E-04 -.484E-02 0.379E-02
   0.341E+02 -.197E+02 0.944E+01   -.352E+02 0.203E+02 -.118E+02   0.114E+01 -.660E+00 0.233E+01   -.558E-02 0.322E-02 0.458E-02
   0.188E+02 -.208E+02 0.229E+02   -.188E+02 0.208E+02 -.229E+02   0.974E-01 -.487E-01 0.776E-02   -.285E-02 0.357E-02 0.186E-03
   0.809E+00 -.131E+02 0.251E+02   -.766E+00 0.131E+02 -.250E+02   -.438E-01 0.387E-01 -.119E+00   -.189E-02 0.182E-03 -.436E-03
   -.403E+01 0.102E+01 0.174E+02   0.404E+01 -.105E+01 -.173E+02   -.514E-02 0.172E-01 -.826E-01   -.237E-02 0.278E-02 -.142E-02
   -.182E+02 0.105E+02 0.129E+02   0.182E+02 -.105E+02 -.126E+02   0.673E-02 -.388E-02 -.249E+00   -.130E-02 0.756E-03 -.870E-03
   -.336E+02 -.388E+01 0.321E+02   0.339E+02 0.419E+01 -.323E+02   -.327E+00 -.315E+00 0.278E+00   0.424E-02 0.234E-02 0.380E-02
   -.913E+01 -.289E+02 0.461E+02   0.924E+01 0.289E+02 -.458E+02   -.981E-01 -.588E-01 -.325E+00   -.300E-02 0.238E-02 0.320E-02
   -.241E+01 -.897E+01 0.343E+02   0.242E+01 0.894E+01 -.343E+02   -.410E-02 0.342E-01 -.428E-01   -.234E-02 0.235E-02 0.163E-03
   0.120E+01 -.691E+00 0.238E+02   -.118E+01 0.682E+00 -.238E+02   -.173E-01 0.997E-02 -.626E-01   -.510E-03 0.296E-03 -.469E-03
   -.290E+01 0.298E+01 0.174E+02   0.293E+01 -.297E+01 -.173E+02   -.174E-01 -.414E-02 -.826E-01   -.360E-02 0.668E-03 -.141E-02
   -.146E+02 -.421E+00 0.240E+02   0.146E+02 0.441E+00 -.240E+02   0.151E-01 -.176E-01 0.180E-01   -.255E-02 -.789E-03 -.291E-03
   -.147E+02 -.118E+02 0.369E+02   0.147E+02 0.119E+02 -.369E+02   0.352E-01 -.189E-01 -.227E-01   0.452E-03 0.240E-02 0.369E-03
   0.241E+01 0.897E+01 0.343E+02   -.242E+01 -.894E+01 -.343E+02   0.410E-02 -.342E-01 -.428E-01   0.234E-02 -.235E-02 0.163E-03
   0.147E+02 0.118E+02 0.369E+02   -.147E+02 -.119E+02 -.369E+02   -.352E-01 0.189E-01 -.227E-01   -.452E-03 -.240E-02 0.369E-03
   0.146E+02 0.421E+00 0.240E+02   -.146E+02 -.441E+00 -.240E+02   -.151E-01 0.176E-01 0.180E-01   0.255E-02 0.789E-03 -.292E-03
   0.290E+01 -.298E+01 0.174E+02   -.293E+01 0.297E+01 -.173E+02   0.174E-01 0.414E-02 -.826E-01   0.360E-02 -.668E-03 -.141E-02
   -.120E+01 0.691E+00 0.238E+02   0.118E+01 -.682E+00 -.238E+02   0.173E-01 -.997E-02 -.626E-01   0.510E-03 -.296E-03 -.469E-03
   -.809E+00 0.131E+02 0.251E+02   0.766E+00 -.131E+02 -.250E+02   0.438E-01 -.387E-01 -.119E+00   0.189E-02 -.182E-03 -.435E-03
   0.913E+01 0.289E+02 0.461E+02   -.924E+01 -.289E+02 -.458E+02   0.981E-01 0.588E-01 -.325E+00   0.300E-02 -.238E-02 0.320E-02
   0.336E+02 0.388E+01 0.321E+02   -.339E+02 -.419E+01 -.323E+02   0.327E+00 0.315E+00 0.278E+00   -.424E-02 -.234E-02 0.380E-02
   0.182E+02 -.105E+02 0.129E+02   -.182E+02 0.105E+02 -.126E+02   -.673E-02 0.388E-02 -.249E+00   0.130E-02 -.756E-03 -.870E-03
   0.403E+01 -.102E+01 0.174E+02   -.404E+01 0.105E+01 -.173E+02   0.514E-02 -.172E-01 -.826E-01   0.237E-02 -.278E-02 -.142E-02
   -.311E+01 0.319E+01 0.209E+02   0.312E+01 -.319E+01 -.209E+02   -.183E-02 -.290E-02 0.165E-01   0.225E-03 0.184E-03 -.583E-03
   -.188E+02 0.208E+02 0.229E+02   0.188E+02 -.208E+02 -.229E+02   -.974E-01 0.487E-01 0.776E-02   0.285E-02 -.357E-02 0.186E-03
   -.341E+02 0.197E+02 0.944E+01   0.352E+02 -.203E+02 -.118E+02   -.114E+01 0.660E+00 0.233E+01   0.558E-02 -.322E-02 0.458E-02
   0.134E+02 -.311E+02 0.321E+02   -.133E+02 0.315E+02 -.323E+02   -.109E+00 -.441E+00 0.278E+00   -.949E-04 0.484E-02 0.379E-02
   0.693E+01 -.128E+02 0.240E+02   -.690E+01 0.128E+02 -.240E+02   -.228E-01 0.431E-02 0.180E-01   0.594E-03 -.260E-02 -.303E-03
   -.814E+00 -.376E+01 0.220E+02   0.797E+00 0.376E+01 -.221E+02   0.170E-01 0.615E-02 0.195E-01   0.117E-02 -.156E-02 -.117E-02
   -.971E+01 0.561E+01 0.157E+02   0.965E+01 -.557E+01 -.157E+02   0.561E-01 -.324E-01 0.451E-01   0.165E-02 -.948E-03 -.140E-02
   -.274E+02 0.584E+01 0.229E+02   0.275E+02 -.590E+01 -.229E+02   -.909E-01 0.600E-01 0.776E-02   0.452E-02 -.674E-03 0.193E-03
   -.204E+02 -.223E+02 0.461E+02   0.204E+02 0.225E+02 -.458E+02   -.190E-02 -.114E+00 -.325E+00   0.357E-02 -.141E-02 0.320E-02
   -.290E+01 -.187E+02 0.369E+02   0.293E+01 0.186E+02 -.369E+02   -.340E-01 0.210E-01 -.227E-01   0.186E-02 0.159E-02 0.365E-03
   0.208E+01 -.120E+01 0.308E+02   -.203E+01 0.117E+01 -.308E+02   -.532E-01 0.307E-01 0.673E-02   0.297E-02 -.171E-02 -.230E-05
   0.285E+01 0.259E+01 0.220E+02   -.286E+01 -.257E+01 -.221E+02   0.319E-02 -.178E-01 0.195E-01   0.194E-02 -.231E-03 -.116E-02
   -.432E+01 0.110E+01 0.209E+02   0.432E+01 -.111E+01 -.209E+02   0.159E-02 0.303E-02 0.165E-01   -.444E-04 -.283E-03 -.571E-03
   -.118E+02 -.585E+01 0.251E+02   0.117E+02 0.587E+01 -.250E+02   0.554E-01 -.186E-01 -.119E+00   0.111E-02 -.155E-02 -.427E-03
   -.657E+01 -.657E+01 0.343E+02   0.653E+01 0.656E+01 -.343E+02   0.317E-01 0.135E-01 -.428E-01   0.321E-02 -.851E-03 0.165E-03
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.337E-03 -.641E+01   0.240E-13 -.622E-13 -.924E-13   -.486E-15 0.281E-15 0.642E+01   0.820E-07 -.409E-07 0.189E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85045      6.05560     12.41236         0.000000      0.000000     -0.002886
      2.67784      7.48869     12.52503         0.001276      0.002210     -0.013756
      1.02306      4.62252     12.52503        -0.001276     -0.002210     -0.013756
     12.34167     -0.00150      9.88017         0.001349     -0.000779      0.000512
     -1.23341      2.13850      9.88549         0.003236     -0.003405     -0.000399
     -2.46928      4.27610      9.93407        -0.004144      0.000647     -0.000966
      8.63811      6.41066      9.94341        -0.003679      0.004885     -0.000287
     -4.93640      8.54964      9.91984        -0.000528      0.000992     -0.002154
     -3.70288     10.68616      9.91984        -0.001123     -0.000039     -0.002154
      1.23521      2.14005      9.92570         0.000993      0.005776     -0.000772
     -0.00380      4.27857     10.00860        -0.005217     -0.005401      0.003529
     -1.23889      6.41023     10.03612        -0.003014      0.001588      0.000652
     -2.46672      8.54812      9.96843         0.002969     -0.001714     -0.001778
      4.93679     -0.00021      9.94341        -0.006071      0.000744     -0.000287
      3.70244      2.13362      9.96232        -0.001020     -0.002985     -0.001151
      2.47194      4.25329     10.12960         0.003463      0.003182      0.009852
      1.21375      6.42321     10.35724         0.002849     -0.001645      0.007164
     -0.00133      8.55374     10.03612        -0.002882      0.001817      0.000652
      1.23168     10.68635      9.93407        -0.002632      0.003266     -0.000966
      6.17045      2.13584      9.94424        -0.003338     -0.003059     -0.002691
      4.93882      4.27254     10.02876         0.003521     -0.002033     -0.002246
      3.72204      6.41854     10.12960        -0.001024     -0.004590      0.009852
      2.46227      8.54995     10.00860         0.002069      0.007219      0.003529
      3.70083     10.68486      9.88549         0.004566     -0.001100     -0.000399
      8.63872      2.13640      9.90259        -0.001797      0.001038      0.000320
      7.40507      4.27426      9.94424         0.000980      0.004421     -0.002691
      6.17298      6.41273      9.96232         0.002075      0.002376     -0.001151
      4.93380      8.54620      9.92570        -0.004506     -0.003748     -0.000772
      0.00007      1.42634      9.88549        -0.004566      0.001100     -0.000399
     -1.23290      3.56501      9.92570         0.004506      0.003748     -0.000772
     -2.47208      5.69848      9.96232        -0.002075     -0.002376     -0.001151
     -3.70417      7.83695      9.94424        -0.000980     -0.004421     -0.002691
     -4.93782      9.97481      9.90259         0.001797     -0.001038      0.000320
      2.46922      1.42486      9.93407         0.002632     -0.003266     -0.000966
      1.23863      3.56126     10.00860        -0.002069     -0.007219      0.003529
     -0.02114      5.69267     10.12960         0.001024      0.004590      0.009852
     -1.23791      7.83867     10.02876        -0.003521      0.002033     -0.002246
     -2.46955      9.97537      9.94424         0.003338      0.003059     -0.002691
      4.93670      1.42371      9.94341         0.006071     -0.000744     -0.000287
      3.70223      3.55747     10.03612         0.002882     -0.001817      0.000652
      2.48716      5.68800     10.35724        -0.002849      0.001645      0.007164
      1.22897      7.85792     10.12960        -0.003463     -0.003182      0.009852
     -0.00154      9.97759      9.96232         0.001020      0.002985     -0.001151
      7.40378      1.42504      9.91984         0.001123      0.000039     -0.002154
      6.16762      3.56309      9.96843        -0.002969      0.001714     -0.001778
      4.93979      5.70098     10.03612         0.003014     -0.001588      0.000652
      3.70471      7.83263     10.00860         0.005217      0.005401      0.003529
      2.46569      9.97116      9.92570        -0.000993     -0.005776     -0.000772
      9.87395      1.42324      9.88017        -0.001349      0.000779      0.000512
      8.63730      3.56157      9.91984         0.000528     -0.000992     -0.002154
      7.40491      5.69878      9.94341         0.003679     -0.004885     -0.000287
      6.17018      7.83511      9.93407         0.004144     -0.000647     -0.000966
      4.93431      9.97271      9.88549        -0.003236      0.003405     -0.000399
 -----------------------------------------------------------------------------------
    total drift:                               -0.001837      0.000337      0.021784


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




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


    WAVPRE:  VPU time    1.96: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  183.96: CPU time   92.20
     LOOP+:  VPU time 5469.89: CPU time 2812.72


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


    POTLOK:  VPU time    9.22: CPU time    9.08
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1397.86: CPU time  723.04
 BZINTS: Fermi energy: -3.251663;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.36: CPU time   58.78
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1524.01: CPU time  791.43

 eigenvalue-minimisations  :  4096
 total energy-change (2. order) :-0.4696487E+03  (-0.6982214E-05)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9551655 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.38532E-03    rms(broyden)= 0.38515E-03
  rms(prec ) = 0.41123E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34276.65581205
  -1/2 Hartree   DENC   =    -41171.54824412
  -V(xc)+E(xc)   XCENC  =       726.33764844
  PAW double counting   =      4067.93131473    -4106.58382018
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.88122830
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64866376 eV

  energy without entropy =     -469.64866376  energy(sigma->0) =     -469.64866376


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




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


    POTLOK:  VPU time    9.18: CPU time    9.18
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1390.84: CPU time  718.03
 BZINTS: Fermi energy: -3.250950;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1400.42: CPU time  727.58

 eigenvalue-minimisations  :  4096
 total energy-change (2. order) :-0.7436556E-06  (-0.6832366E-06)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9551655 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34276.65581205
  -1/2 Hartree   DENC   =    -41171.55338891
  -V(xc)+E(xc)   XCENC  =       726.33779674
  PAW double counting   =      4067.93490670    -4106.58738668
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.87625801
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64866450 eV

  energy without entropy =     -469.64866450  energy(sigma->0) =     -469.64866450


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




 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 -59.0089       2 -37.4826       3 -37.4826       4 -58.3183       5 -58.2928
       6 -58.3054       7 -58.3031       8 -58.3119       9 -58.3118      10 -58.2862
      11 -58.3241      12 -58.2807      13 -58.3232      14 -58.3031      15 -58.3015
      16 -58.3974      17 -58.9695      18 -58.2807      19 -58.3054      20 -58.3074
      21 -58.2937      22 -58.3974      23 -58.3241      24 -58.2928      25 -58.3286
      26 -58.3074      27 -58.3015      28 -58.2863      29 -58.2927      30 -58.2861
      31 -58.3014      32 -58.3073      33 -58.3285      34 -58.3053      35 -58.3240
      36 -58.3973      37 -58.2936      38 -58.3073      39 -58.3030      40 -58.2805
      41 -58.9694      42 -58.3974      43 -58.3014      44 -58.3117      45 -58.3231
      46 -58.2806      47 -58.3240      48 -58.2861      49 -58.3182      50 -58.3117
      51 -58.3030      52 -58.3053      53 -58.2927
 
 
 
 E-fermi :  -3.2510     XC(G=0):  -2.3500     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     -22.3723      1.00000
      2     -21.5043      1.00000
      3     -21.4311      1.00000
      4     -21.4300      1.00000
      5     -21.4181      1.00000
      6     -21.4080      1.00000
      7     -21.4044      1.00000
      8     -19.6653      1.00000
      9     -19.5975      1.00000
     10     -19.5924      1.00000
     11     -19.5798      1.00000
     12     -19.5681      1.00000
     13     -19.5653      1.00000
     14     -18.7648      1.00000
     15     -18.7039      1.00000
     16     -18.6962      1.00000
     17     -18.6826      1.00000
     18     -18.6742      1.00000
     19     -18.6702      1.00000
     20     -16.6306      1.00000
     21     -16.5493      1.00000
     22     -16.5443      1.00000
     23     -16.5347      1.00000
     24     -16.5262      1.00000
     25     -16.5226      1.00000
     26     -15.6078      1.00000
     27     -15.5646      1.00000
     28     -15.5241      1.00000
     29     -15.5219      1.00000
     30     -15.5187      1.00000
     31     -15.5157      1.00000
     32     -14.2561      1.00000
     33     -14.2209      1.00000
     34     -14.1953      1.00000
     35     -14.1938      1.00000
     36     -14.1749      1.00000
     37     -14.1714      1.00000
     38     -11.9842      1.00000
     39     -11.8717      1.00000
     40     -11.8244      1.00000
     41     -11.8093      1.00000
     42     -11.8089      1.00000
     43     -11.8023      1.00000
     44     -11.7298      1.00000
     45     -11.7212      1.00000
     46     -11.7070      1.00000
     47     -11.6979      1.00000
     48     -11.6874      1.00000
     49     -11.6830      1.00000
     50     -10.6439      1.00000
     51     -10.3749      1.00000
     52     -10.3570      1.00000
     53     -10.3376      1.00000
     54     -10.3280      1.00000
     55     -10.3199      1.00000
     56     -10.2953      1.00000
     57      -9.7912      1.00000
     58      -9.4113      1.00000
     59      -9.3904      1.00000
     60      -9.3527      1.00000
     61      -9.3420      1.00000
     62      -9.3331      1.00000
     63      -9.1758      1.00000
     64      -9.0774      1.00000
     65      -9.0750      1.00000
     66      -9.0644      1.00000
     67      -9.0612      1.00000
     68      -9.0326      1.00000
     69      -9.0266      1.00000
     70      -9.0258      1.00000
     71      -9.0156      1.00000
     72      -9.0053      1.00000
     73      -8.9936      1.00000
     74      -8.9727      1.00000
     75      -7.9873      1.00000
     76      -7.7009      1.00000
     77      -7.5054      1.00000
     78      -7.4853      1.00000
     79      -7.4591      1.00000
     80      -7.4127      1.00000
     81      -7.3976      1.00000
     82      -7.3784      1.00000
     83      -7.3471      1.00000
     84      -7.2237      1.00000
     85      -7.1820      1.00000
     86      -7.1771      1.00000
     87      -7.1739      1.00000
     88      -6.6145      1.00000
     89      -6.5770      1.00000
     90      -6.3655      1.00000
     91      -6.3567      1.00000
     92      -6.3172      1.00000
     93      -6.2938      1.00000
     94      -5.9448      1.00000
     95      -5.8922      1.00000
     96      -5.3608      1.00000
     97      -5.1928      1.00000
     98      -4.8396      1.00000
     99      -4.7156      1.00000
    100      -4.3634      1.00000
    101      -4.3573      1.00000
    102      -4.3463      1.00000
    103      -4.3347      1.00000
    104      -4.1687      1.00000
    105      -3.9334      1.00000
    106      -3.5926      1.00000
    107      -2.9221      0.00000
    108      -1.5540      0.00000
    109      -1.5501      0.00000
    110      -1.5374      0.00000
    111      -1.5364      0.00000
    112      -1.4799      0.00000
    113      -1.4634      0.00000
    114       0.0758      0.00000
    115       0.2359      0.00000
    116       0.2806      0.00000
    117       0.3016      0.00000
    118       0.3069      0.00000
    119       0.3742      0.00000
    120       0.6141      0.00000
    121       1.2671      0.00000
    122       1.3684      0.00000
    123       1.7007      0.00000
    124       1.7563      0.00000
    125       1.7837      0.00000
    126       1.7888      0.00000
    127       1.8518      0.00000
    128       1.8735      0.00000
    129       2.0001      0.00000
    130       2.0052      0.00000
    131       2.0160      0.00000
    132       2.0217      0.00000
    133       2.0234      0.00000
    134       2.0860      0.00000
    135       2.3146      0.00000
    136       2.4615      0.00000
    137       2.5768      0.00000
    138       2.5986      0.00000
    139       2.6338      0.00000
    140       2.7383      0.00000
    141       2.8463      0.00000
    142       3.0345      0.00000
    143       3.0476      0.00000
    144       3.0627      0.00000
    145       3.0814      0.00000
    146       3.0954      0.00000
    147       3.1067      0.00000
    148       3.4477      0.00000
    149       3.5427      0.00000
    150       3.5863      0.00000
    151       3.9141      0.00000
    152       3.9254      0.00000
    153       3.9501      0.00000
    154       3.9562      0.00000
    155       3.9791      0.00000
    156       4.0525      0.00000
    157       4.1596      0.00000
    158       4.2104      0.00000
    159       4.2560      0.00000
    160       4.2655      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3348      1.00000
      2     -21.7723      1.00000
      3     -21.5977      1.00000
      4     -21.5674      1.00000
      5     -21.2225      1.00000
      6     -21.1946      1.00000
      7     -21.0207      1.00000
      8     -20.1198      1.00000
      9     -20.0876      1.00000
     10     -19.5722      1.00000
     11     -19.5453      1.00000
     12     -19.3784      1.00000
     13     -19.0502      1.00000
     14     -19.0194      1.00000
     15     -19.0056      1.00000
     16     -18.9948      1.00000
     17     -18.3282      1.00000
     18     -18.3044      1.00000
     19     -17.9816      1.00000
     20     -17.0356      1.00000
     21     -16.9843      1.00000
     22     -16.9177      1.00000
     23     -16.8988      1.00000
     24     -16.4375      1.00000
     25     -16.4153      1.00000
     26     -15.5903      1.00000
     27     -15.5576      1.00000
     28     -15.2358      1.00000
     29     -15.1958      1.00000
     30     -15.1322      1.00000
     31     -15.0579      1.00000
     32     -15.0295      1.00000
     33     -14.6697      1.00000
     34     -14.6507      1.00000
     35     -13.7064      1.00000
     36     -13.6804      1.00000
     37     -13.2019      1.00000
     38     -12.5980      1.00000
     39     -12.5414      1.00000
     40     -12.4198      1.00000
     41     -12.4036      1.00000
     42     -12.1105      1.00000
     43     -12.0687      1.00000
     44     -11.6968      1.00000
     45     -11.6476      1.00000
     46     -11.2343      1.00000
     47     -11.1899      1.00000
     48     -11.0080      1.00000
     49     -10.9716      1.00000
     50     -10.9100      1.00000
     51     -10.8662      1.00000
     52     -10.5300      1.00000
     53     -10.1284      1.00000
     54     -10.1222      1.00000
     55     -10.0809      1.00000
     56      -9.9190      1.00000
     57      -9.7073      1.00000
     58      -9.6701      1.00000
     59      -9.6122      1.00000
     60      -9.5826      1.00000
     61      -9.5436      1.00000
     62      -9.4796      1.00000
     63      -9.2961      1.00000
     64      -9.2768      1.00000
     65      -9.2294      1.00000
     66      -9.1755      1.00000
     67      -9.1105      1.00000
     68      -9.0757      1.00000
     69      -9.0650      1.00000
     70      -8.9051      1.00000
     71      -8.8462      1.00000
     72      -8.6034      1.00000
     73      -8.5659      1.00000
     74      -8.1227      1.00000
     75      -8.0447      1.00000
     76      -7.9499      1.00000
     77      -7.8304      1.00000
     78      -7.7919      1.00000
     79      -7.7290      1.00000
     80      -7.6930      1.00000
     81      -7.3486      1.00000
     82      -7.3339      1.00000
     83      -7.3268      1.00000
     84      -7.2701      1.00000
     85      -7.0657      1.00000
     86      -6.9821      1.00000
     87      -6.8253      1.00000
     88      -6.7506      1.00000
     89      -6.6427      1.00000
     90      -6.5644      1.00000
     91      -6.1382      1.00000
     92      -6.1044      1.00000
     93      -6.0934      1.00000
     94      -5.9664      1.00000
     95      -5.7348      1.00000
     96      -5.3970      1.00000
     97      -5.2076      1.00000
     98      -4.9398      1.00000
     99      -4.7990      1.00000
    100      -4.6381      1.00000
    101      -4.5374      1.00000
    102      -4.4853      1.00000
    103      -4.3643      1.00000
    104      -4.0452      1.00000
    105      -3.8149      1.00000
    106      -3.5698      1.00000
    107      -2.9442      0.00000
    108      -1.7191      0.00000
    109      -1.6762      0.00000
    110      -1.2935      0.00000
    111      -1.2726      0.00000
    112      -1.2458      0.00000
    113      -1.2133      0.00000
    114      -0.5605      0.00000
    115      -0.1917      0.00000
    116      -0.1703      0.00000
    117       0.6291      0.00000
    118       0.6769      0.00000
    119       0.7258      0.00000
    120       0.9856      0.00000
    121       1.1165      0.00000
    122       1.2408      0.00000
    123       1.3410      0.00000
    124       1.4458      0.00000
    125       1.4963      0.00000
    126       1.7412      0.00000
    127       1.7636      0.00000
    128       1.7995      0.00000
    129       1.8557      0.00000
    130       1.9504      0.00000
    131       2.1710      0.00000
    132       2.2113      0.00000
    133       2.2618      0.00000
    134       2.4291      0.00000
    135       2.5070      0.00000
    136       2.6123      0.00000
    137       2.6897      0.00000
    138       2.6967      0.00000
    139       2.7783      0.00000
    140       2.8017      0.00000
    141       2.8544      0.00000
    142       2.8586      0.00000
    143       2.9961      0.00000
    144       3.0628      0.00000
    145       3.2710      0.00000
    146       3.3593      0.00000
    147       3.3706      0.00000
    148       3.4450      0.00000
    149       3.5249      0.00000
    150       3.5808      0.00000
    151       3.6533      0.00000
    152       3.7249      0.00000
    153       3.7645      0.00000
    154       3.9311      0.00000
    155       3.9574      0.00000
    156       4.0396      0.00000
    157       4.0822      0.00000
    158       4.1631      0.00000
    159       4.2397      0.00000
    160       4.2698      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2232      1.00000
      2     -22.0317      1.00000
      3     -21.6721      1.00000
      4     -21.6423      1.00000
      5     -20.9285      1.00000
      6     -20.8977      1.00000
      7     -20.5681      1.00000
      8     -20.5335      1.00000
      9     -20.5244      1.00000
     10     -19.9917      1.00000
     11     -19.4666      1.00000
     12     -19.4374      1.00000
     13     -19.2747      1.00000
     14     -19.2546      1.00000
     15     -18.4062      1.00000
     16     -18.3684      1.00000
     17     -17.8955      1.00000
     18     -17.8656      1.00000
     19     -17.7179      1.00000
     20     -17.6831      1.00000
     21     -17.4081      1.00000
     22     -17.3837      1.00000
     23     -17.3054      1.00000
     24     -16.4329      1.00000
     25     -16.4126      1.00000
     26     -15.9180      1.00000
     27     -15.3894      1.00000
     28     -15.3597      1.00000
     29     -15.0731      1.00000
     30     -15.0459      1.00000
     31     -14.8380      1.00000
     32     -14.8040      1.00000
     33     -14.2534      1.00000
     34     -14.2160      1.00000
     35     -13.4117      1.00000
     36     -13.3623      1.00000
     37     -13.1604      1.00000
     38     -13.1310      1.00000
     39     -12.9366      1.00000
     40     -12.9270      1.00000
     41     -12.6030      1.00000
     42     -12.5707      1.00000
     43     -12.1697      1.00000
     44     -11.5639      1.00000
     45     -11.5034      1.00000
     46     -11.3012      1.00000
     47     -11.2502      1.00000
     48     -11.1212      1.00000
     49     -10.6819      1.00000
     50     -10.6329      1.00000
     51     -10.4482      1.00000
     52     -10.2879      1.00000
     53     -10.2751      1.00000
     54     -10.1607      1.00000
     55     -10.0842      1.00000
     56     -10.0707      1.00000
     57      -9.7890      1.00000
     58      -9.7394      1.00000
     59      -9.6951      1.00000
     60      -9.6743      1.00000
     61      -9.6601      1.00000
     62      -9.5981      1.00000
     63      -9.3383      1.00000
     64      -9.3211      1.00000
     65      -9.2874      1.00000
     66      -9.0299      1.00000
     67      -8.9330      1.00000
     68      -8.8421      1.00000
     69      -8.7614      1.00000
     70      -8.5920      1.00000
     71      -8.4960      1.00000
     72      -8.3701      1.00000
     73      -8.3634      1.00000
     74      -8.3039      1.00000
     75      -8.2444      1.00000
     76      -8.2426      1.00000
     77      -8.2239      1.00000
     78      -8.1964      1.00000
     79      -7.8736      1.00000
     80      -7.7449      1.00000
     81      -7.3705      1.00000
     82      -7.3158      1.00000
     83      -7.2987      1.00000
     84      -7.2071      1.00000
     85      -7.1803      1.00000
     86      -6.9498      1.00000
     87      -6.9314      1.00000
     88      -6.5932      1.00000
     89      -6.5393      1.00000
     90      -6.2653      1.00000
     91      -6.2011      1.00000
     92      -5.9822      1.00000
     93      -5.8153      1.00000
     94      -5.6693      1.00000
     95      -5.5143      1.00000
     96      -5.3310      1.00000
     97      -5.3056      1.00000
     98      -5.1926      1.00000
     99      -5.1901      1.00000
    100      -5.1081      1.00000
    101      -4.6898      1.00000
    102      -4.5493      1.00000
    103      -4.4510      1.00000
    104      -3.9151      1.00000
    105      -3.7077      1.00000
    106      -3.5356      1.00000
    107      -2.9665      0.00000
    108      -1.8176      0.00000
    109      -1.7625      0.00000
    110      -1.0863      0.00000
    111      -0.9719      0.00000
    112      -0.9419      0.00000
    113      -0.6478      0.00000
    114      -0.6055      0.00000
    115      -0.5693      0.00000
    116      -0.5315      0.00000
    117       0.1756      0.00000
    118       0.2565      0.00000
    119       0.7895      0.00000
    120       1.0062      0.00000
    121       1.1143      0.00000
    122       1.1679      0.00000
    123       1.3566      0.00000
    124       1.4802      0.00000
    125       1.5911      0.00000
    126       1.5955      0.00000
    127       1.6855      0.00000
    128       1.9085      0.00000
    129       1.9512      0.00000
    130       2.0290      0.00000
    131       2.1896      0.00000
    132       2.3429      0.00000
    133       2.3889      0.00000
    134       2.4121      0.00000
    135       2.5982      0.00000
    136       2.6855      0.00000
    137       2.7429      0.00000
    138       2.7809      0.00000
    139       2.8397      0.00000
    140       3.0055      0.00000
    141       3.0533      0.00000
    142       3.0849      0.00000
    143       3.1393      0.00000
    144       3.2599      0.00000
    145       3.3296      0.00000
    146       3.3918      0.00000
    147       3.4555      0.00000
    148       3.5420      0.00000
    149       3.5768      0.00000
    150       3.6028      0.00000
    151       3.6803      0.00000
    152       3.7051      0.00000
    153       3.7682      0.00000
    154       3.7877      0.00000
    155       3.7952      0.00000
    156       3.9389      0.00000
    157       3.9434      0.00000
    158       4.0367      0.00000
    159       4.1973      0.00000
    160       4.2663      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2602      1.00000
      2     -21.8890      1.00000
      3     -21.8757      1.00000
      4     -21.3272      1.00000
      5     -21.3154      1.00000
      6     -20.7717      1.00000
      7     -20.7563      1.00000
      8     -20.5791      1.00000
      9     -20.0307      1.00000
     10     -20.0278      1.00000
     11     -19.6720      1.00000
     12     -19.6578      1.00000
     13     -18.9491      1.00000
     14     -18.9489      1.00000
     15     -18.5936      1.00000
     16     -18.5932      1.00000
     17     -18.4187      1.00000
     18     -17.6434      1.00000
     19     -17.5880      1.00000
     20     -17.5659      1.00000
     21     -17.5605      1.00000
     22     -17.0743      1.00000
     23     -17.0729      1.00000
     24     -16.9205      1.00000
     25     -15.9540      1.00000
     26     -15.9047      1.00000
     27     -15.5486      1.00000
     28     -15.5315      1.00000
     29     -15.2690      1.00000
     30     -14.8178      1.00000
     31     -14.7948      1.00000
     32     -14.5416      1.00000
     33     -14.5105      1.00000
     34     -14.1323      1.00000
     35     -14.1279      1.00000
     36     -13.1050      1.00000
     37     -13.0422      1.00000
     38     -13.0181      1.00000
     39     -12.9876      1.00000
     40     -12.6763      1.00000
     41     -12.6745      1.00000
     42     -12.2887      1.00000
     43     -12.2817      1.00000
     44     -11.6531      1.00000
     45     -11.6002      1.00000
     46     -11.5401      1.00000
     47     -10.9411      1.00000
     48     -10.8917      1.00000
     49     -10.6375      1.00000
     50     -10.5971      1.00000
     51     -10.4754      1.00000
     52     -10.4648      1.00000
     53     -10.4063      1.00000
     54     -10.4035      1.00000
     55     -10.3152      1.00000
     56     -10.0401      1.00000
     57      -9.8760      1.00000
     58      -9.5860      1.00000
     59      -9.5214      1.00000
     60      -9.5028      1.00000
     61      -9.3790      1.00000
     62      -9.3715      1.00000
     63      -9.3411      1.00000
     64      -9.2944      1.00000
     65      -9.2423      1.00000
     66      -9.1702      1.00000
     67      -9.1270      1.00000
     68      -9.0834      1.00000
     69      -8.8454      1.00000
     70      -8.8250      1.00000
     71      -8.6815      1.00000
     72      -8.5746      1.00000
     73      -8.4197      1.00000
     74      -8.1995      1.00000
     75      -8.1528      1.00000
     76      -7.9732      1.00000
     77      -7.8834      1.00000
     78      -7.8202      1.00000
     79      -7.7933      1.00000
     80      -7.7664      1.00000
     81      -7.6762      1.00000
     82      -7.6208      1.00000
     83      -7.4098      1.00000
     84      -7.3509      1.00000
     85      -6.8997      1.00000
     86      -6.8918      1.00000
     87      -6.7306      1.00000
     88      -6.6473      1.00000
     89      -6.4091      1.00000
     90      -6.3309      1.00000
     91      -6.2894      1.00000
     92      -6.1837      1.00000
     93      -5.9730      1.00000
     94      -5.5815      1.00000
     95      -5.4781      1.00000
     96      -5.4118      1.00000
     97      -5.3708      1.00000
     98      -5.1940      1.00000
     99      -5.1071      1.00000
    100      -4.7531      1.00000
    101      -4.7036      1.00000
    102      -4.5693      1.00000
    103      -4.4193      1.00000
    104      -4.2017      1.00000
    105      -3.5535      1.00000
    106      -3.3956      1.00000
    107      -3.0494      0.00000
    108      -2.1031      0.00000
    109      -1.2456      0.00000
    110      -1.2044      0.00000
    111      -1.1759      0.00000
    112      -0.9330      0.00000
    113      -0.8336      0.00000
    114      -0.7844      0.00000
    115      -0.7022      0.00000
    116       0.1963      0.00000
    117       0.2016      0.00000
    118       0.3058      0.00000
    119       0.7679      0.00000
    120       0.8218      0.00000
    121       0.9127      0.00000
    122       1.1198      0.00000
    123       1.3278      0.00000
    124       1.5070      0.00000
    125       1.5818      0.00000
    126       1.8081      0.00000
    127       1.8346      0.00000
    128       1.8759      0.00000
    129       1.9676      0.00000
    130       1.9846      0.00000
    131       2.2529      0.00000
    132       2.4091      0.00000
    133       2.4135      0.00000
    134       2.4283      0.00000
    135       2.5591      0.00000
    136       2.5864      0.00000
    137       2.6299      0.00000
    138       2.7170      0.00000
    139       2.7354      0.00000
    140       2.9615      0.00000
    141       3.0557      0.00000
    142       3.1281      0.00000
    143       3.1925      0.00000
    144       3.2368      0.00000
    145       3.2407      0.00000
    146       3.3107      0.00000
    147       3.3353      0.00000
    148       3.5170      0.00000
    149       3.5206      0.00000
    150       3.6267      0.00000
    151       3.6971      0.00000
    152       3.7297      0.00000
    153       3.8020      0.00000
    154       3.9285      0.00000
    155       3.9848      0.00000
    156       3.9862      0.00000
    157       3.9963      0.00000
    158       4.0116      0.00000
    159       4.0354      0.00000
    160       4.1404      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1286      1.00000
      2     -22.0895      1.00000
      3     -21.9185      1.00000
      4     -21.3591      1.00000
      5     -21.0044      1.00000
      6     -20.9685      1.00000
      7     -20.4528      1.00000
      8     -20.4149      1.00000
      9     -20.2615      1.00000
     10     -20.2316      1.00000
     11     -19.9010      1.00000
     12     -19.8630      1.00000
     13     -18.8282      1.00000
     14     -18.7845      1.00000
     15     -18.3120      1.00000
     16     -18.2615      1.00000
     17     -18.1215      1.00000
     18     -18.0923      1.00000
     19     -17.7857      1.00000
     20     -17.7466      1.00000
     21     -17.2258      1.00000
     22     -17.1945      1.00000
     23     -17.1328      1.00000
     24     -17.0939      1.00000
     25     -16.0582      1.00000
     26     -15.8597      1.00000
     27     -15.8221      1.00000
     28     -15.7897      1.00000
     29     -15.2094      1.00000
     30     -14.5306      1.00000
     31     -14.4849      1.00000
     32     -14.2538      1.00000
     33     -13.9298      1.00000
     34     -13.9181      1.00000
     35     -13.7921      1.00000
     36     -13.7629      1.00000
     37     -13.5827      1.00000
     38     -13.5343      1.00000
     39     -13.3234      1.00000
     40     -12.5849      1.00000
     41     -12.1758      1.00000
     42     -12.1012      1.00000
     43     -12.0355      1.00000
     44     -11.9904      1.00000
     45     -11.6564      1.00000
     46     -11.6213      1.00000
     47     -11.1384      1.00000
     48     -11.0835      1.00000
     49     -10.7815      1.00000
     50     -10.7049      1.00000
     51     -10.4046      1.00000
     52     -10.1933      1.00000
     53     -10.1680      1.00000
     54     -10.1266      1.00000
     55      -9.9940      1.00000
     56      -9.9825      1.00000
     57      -9.9408      1.00000
     58      -9.7949      1.00000
     59      -9.7706      1.00000
     60      -9.7420      1.00000
     61      -9.7212      1.00000
     62      -9.4383      1.00000
     63      -9.3355      1.00000
     64      -9.0896      1.00000
     65      -9.0443      1.00000
     66      -9.0034      1.00000
     67      -8.8915      1.00000
     68      -8.8259      1.00000
     69      -8.7085      1.00000
     70      -8.6655      1.00000
     71      -8.5674      1.00000
     72      -8.5081      1.00000
     73      -8.4726      1.00000
     74      -8.4377      1.00000
     75      -8.3320      1.00000
     76      -8.1983      1.00000
     77      -8.0666      1.00000
     78      -7.9807      1.00000
     79      -7.9068      1.00000
     80      -7.8807      1.00000
     81      -7.6954      1.00000
     82      -7.5617      1.00000
     83      -7.4939      1.00000
     84      -6.9792      1.00000
     85      -6.9095      1.00000
     86      -6.8596      1.00000
     87      -6.7413      1.00000
     88      -6.5202      1.00000
     89      -6.4685      1.00000
     90      -6.3795      1.00000
     91      -6.1925      1.00000
     92      -5.9300      1.00000
     93      -5.7963      1.00000
     94      -5.7503      1.00000
     95      -5.5570      1.00000
     96      -5.3764      1.00000
     97      -5.2437      1.00000
     98      -5.1960      1.00000
     99      -5.1821      1.00000
    100      -5.1227      1.00000
    101      -4.8095      1.00000
    102      -4.5392      1.00000
    103      -4.4572      1.00000
    104      -4.2457      1.00000
    105      -3.5545      1.00000
    106      -3.2902      1.00000
    107      -2.9391      0.00000
    108      -2.3440      0.00000
    109      -1.1834      0.00000
    110      -1.1644      0.00000
    111      -1.1148      0.00000
    112      -1.0594      0.00000
    113      -0.5036      0.00000
    114      -0.4567      0.00000
    115      -0.2976      0.00000
    116      -0.2729      0.00000
    117       0.0002      0.00000
    118       0.0351      0.00000
    119       0.5318      0.00000
    120       0.6424      0.00000
    121       0.8839      0.00000
    122       0.9804      0.00000
    123       1.1894      0.00000
    124       1.5341      0.00000
    125       1.7628      0.00000
    126       1.7822      0.00000
    127       2.0091      0.00000
    128       2.1205      0.00000
    129       2.1340      0.00000
    130       2.1490      0.00000
    131       2.2622      0.00000
    132       2.3087      0.00000
    133       2.3604      0.00000
    134       2.4624      0.00000
    135       2.6690      0.00000
    136       2.7572      0.00000
    137       2.7982      0.00000
    138       2.8796      0.00000
    139       2.9634      0.00000
    140       3.0010      0.00000
    141       3.0577      0.00000
    142       3.1126      0.00000
    143       3.1673      0.00000
    144       3.2368      0.00000
    145       3.2665      0.00000
    146       3.2980      0.00000
    147       3.3289      0.00000
    148       3.3510      0.00000
    149       3.4035      0.00000
    150       3.5365      0.00000
    151       3.6175      0.00000
    152       3.6735      0.00000
    153       3.6989      0.00000
    154       3.7115      0.00000
    155       3.7316      0.00000
    156       3.7914      0.00000
    157       3.9612      0.00000
    158       4.0609      0.00000
    159       4.1370      0.00000
    160       4.2660      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2598      1.00000
      2     -21.9015      1.00000
      3     -21.8633      1.00000
      4     -21.3388      1.00000
      5     -21.3032      1.00000
      6     -20.7832      1.00000
      7     -20.7449      1.00000
      8     -20.5789      1.00000
      9     -20.0480      1.00000
     10     -20.0124      1.00000
     11     -19.6813      1.00000
     12     -19.6465      1.00000
     13     -18.9688      1.00000
     14     -18.9313      1.00000
     15     -18.6130      1.00000
     16     -18.5757      1.00000
     17     -18.4181      1.00000
     18     -17.6330      1.00000
     19     -17.5878      1.00000
     20     -17.5669      1.00000
     21     -17.5496      1.00000
     22     -17.0987      1.00000
     23     -17.0562      1.00000
     24     -16.9385      1.00000
     25     -15.9818      1.00000
     26     -15.8706      1.00000
     27     -15.5677      1.00000
     28     -15.5288      1.00000
     29     -15.2322      1.00000
     30     -14.8497      1.00000
     31     -14.7921      1.00000
     32     -14.5387      1.00000
     33     -14.5008      1.00000
     34     -14.1290      1.00000
     35     -14.1171      1.00000
     36     -13.1562      1.00000
     37     -13.0504      1.00000
     38     -12.9967      1.00000
     39     -12.9769      1.00000
     40     -12.7000      1.00000
     41     -12.6548      1.00000
     42     -12.2982      1.00000
     43     -12.2792      1.00000
     44     -11.6198      1.00000
     45     -11.5866      1.00000
     46     -11.5266      1.00000
     47     -10.9231      1.00000
     48     -10.8973      1.00000
     49     -10.7126      1.00000
     50     -10.5667      1.00000
     51     -10.5346      1.00000
     52     -10.4666      1.00000
     53     -10.4261      1.00000
     54     -10.3668      1.00000
     55     -10.3156      1.00000
     56     -10.0345      1.00000
     57      -9.8705      1.00000
     58      -9.6022      1.00000
     59      -9.5228      1.00000
     60      -9.4548      1.00000
     61      -9.4046      1.00000
     62      -9.3727      1.00000
     63      -9.3421      1.00000
     64      -9.2977      1.00000
     65      -9.2458      1.00000
     66      -9.1348      1.00000
     67      -9.0887      1.00000
     68      -9.0719      1.00000
     69      -8.8513      1.00000
     70      -8.8333      1.00000
     71      -8.7032      1.00000
     72      -8.5603      1.00000
     73      -8.4380      1.00000
     74      -8.1978      1.00000
     75      -8.1703      1.00000
     76      -8.0391      1.00000
     77      -7.8668      1.00000
     78      -7.8040      1.00000
     79      -7.7707      1.00000
     80      -7.7180      1.00000
     81      -7.6795      1.00000
     82      -7.6417      1.00000
     83      -7.4470      1.00000
     84      -7.3083      1.00000
     85      -6.9195      1.00000
     86      -6.8887      1.00000
     87      -6.7759      1.00000
     88      -6.5576      1.00000
     89      -6.3891      1.00000
     90      -6.3229      1.00000
     91      -6.2777      1.00000
     92      -6.1700      1.00000
     93      -6.0679      1.00000
     94      -5.7831      1.00000
     95      -5.5322      1.00000
     96      -5.3566      1.00000
     97      -5.2045      1.00000
     98      -5.1777      1.00000
     99      -5.0301      1.00000
    100      -4.8138      1.00000
    101      -4.6693      1.00000
    102      -4.4929      1.00000
    103      -4.4309      1.00000
    104      -4.2370      1.00000
    105      -3.6321      1.00000
    106      -3.5460      1.00000
    107      -2.8452      0.00000
    108      -2.1358      0.00000
    109      -1.2462      0.00000
    110      -1.1893      0.00000
    111      -1.1785      0.00000
    112      -0.8859      0.00000
    113      -0.8676      0.00000
    114      -0.7863      0.00000
    115      -0.7536      0.00000
    116       0.1428      0.00000
    117       0.2441      0.00000
    118       0.3165      0.00000
    119       0.7206      0.00000
    120       0.8575      0.00000
    121       0.9365      0.00000
    122       1.1661      0.00000
    123       1.2613      0.00000
    124       1.5201      0.00000
    125       1.5791      0.00000
    126       1.7988      0.00000
    127       1.8840      0.00000
    128       1.8904      0.00000
    129       1.9667      0.00000
    130       2.0502      0.00000
    131       2.2225      0.00000
    132       2.3372      0.00000
    133       2.4305      0.00000
    134       2.4427      0.00000
    135       2.5795      0.00000
    136       2.6078      0.00000
    137       2.6659      0.00000
    138       2.7177      0.00000
    139       2.7555      0.00000
    140       2.8946      0.00000
    141       3.0429      0.00000
    142       3.1403      0.00000
    143       3.2004      0.00000
    144       3.2260      0.00000
    145       3.2426      0.00000
    146       3.2829      0.00000
    147       3.3326      0.00000
    148       3.4442      0.00000
    149       3.5445      0.00000
    150       3.6085      0.00000
    151       3.6951      0.00000
    152       3.7149      0.00000
    153       3.8579      0.00000
    154       3.9034      0.00000
    155       3.9323      0.00000
    156       3.9616      0.00000
    157       4.0143      0.00000
    158       4.0181      0.00000
    159       4.0374      0.00000
    160       4.0833      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3347      1.00000
      2     -21.7743      1.00000
      3     -21.5934      1.00000
      4     -21.5688      1.00000
      5     -21.2242      1.00000
      6     -21.1950      1.00000
      7     -21.0193      1.00000
      8     -20.1197      1.00000
      9     -20.0881      1.00000
     10     -19.5769      1.00000
     11     -19.5432      1.00000
     12     -19.3733      1.00000
     13     -19.0609      1.00000
     14     -19.0210      1.00000
     15     -19.0043      1.00000
     16     -18.9866      1.00000
     17     -18.3336      1.00000
     18     -18.3032      1.00000
     19     -17.9742      1.00000
     20     -17.0238      1.00000
     21     -16.9829      1.00000
     22     -16.9258      1.00000
     23     -16.9002      1.00000
     24     -16.4551      1.00000
     25     -16.4201      1.00000
     26     -15.5766      1.00000
     27     -15.5479      1.00000
     28     -15.2044      1.00000
     29     -15.1825      1.00000
     30     -15.1633      1.00000
     31     -15.0834      1.00000
     32     -15.0301      1.00000
     33     -14.6708      1.00000
     34     -14.6438      1.00000
     35     -13.7044      1.00000
     36     -13.6718      1.00000
     37     -13.2078      1.00000
     38     -12.6394      1.00000
     39     -12.5396      1.00000
     40     -12.4267      1.00000
     41     -12.4045      1.00000
     42     -12.0744      1.00000
     43     -12.0526      1.00000
     44     -11.6779      1.00000
     45     -11.6458      1.00000
     46     -11.2872      1.00000
     47     -11.1858      1.00000
     48     -10.9962      1.00000
     49     -10.9651      1.00000
     50     -10.8889      1.00000
     51     -10.8566      1.00000
     52     -10.5623      1.00000
     53     -10.2067      1.00000
     54     -10.1170      1.00000
     55     -10.0600      1.00000
     56      -9.8900      1.00000
     57      -9.6630      1.00000
     58      -9.6630      1.00000
     59      -9.6267      1.00000
     60      -9.6009      1.00000
     61      -9.5329      1.00000
     62      -9.4743      1.00000
     63      -9.3134      1.00000
     64      -9.2654      1.00000
     65      -9.2219      1.00000
     66      -9.1936      1.00000
     67      -9.0958      1.00000
     68      -9.0909      1.00000
     69      -9.0692      1.00000
     70      -8.9032      1.00000
     71      -8.8386      1.00000
     72      -8.5730      1.00000
     73      -8.5601      1.00000
     74      -8.1712      1.00000
     75      -8.0112      1.00000
     76      -7.9476      1.00000
     77      -7.8834      1.00000
     78      -7.7770      1.00000
     79      -7.7277      1.00000
     80      -7.7141      1.00000
     81      -7.4030      1.00000
     82      -7.2832      1.00000
     83      -7.2447      1.00000
     84      -7.2185      1.00000
     85      -7.1530      1.00000
     86      -6.9684      1.00000
     87      -6.8567      1.00000
     88      -6.6942      1.00000
     89      -6.6623      1.00000
     90      -6.5856      1.00000
     91      -6.1600      1.00000
     92      -6.0872      1.00000
     93      -6.0723      1.00000
     94      -5.9096      1.00000
     95      -5.8824      1.00000
     96      -5.3763      1.00000
     97      -5.1908      1.00000
     98      -4.8731      1.00000
     99      -4.8561      1.00000
    100      -4.6465      1.00000
    101      -4.5236      1.00000
    102      -4.3904      1.00000
    103      -4.2660      1.00000
    104      -4.0644      1.00000
    105      -4.0394      1.00000
    106      -3.5642      1.00000
    107      -2.8666      0.00000
    108      -1.7043      0.00000
    109      -1.6992      0.00000
    110      -1.3076      0.00000
    111      -1.2613      0.00000
    112      -1.2310      0.00000
    113      -1.2291      0.00000
    114      -0.5673      0.00000
    115      -0.2550      0.00000
    116      -0.1145      0.00000
    117       0.5841      0.00000
    118       0.6741      0.00000
    119       0.8087      0.00000
    120       0.9572      0.00000
    121       1.1398      0.00000
    122       1.2046      0.00000
    123       1.2818      0.00000
    124       1.4548      0.00000
    125       1.6192      0.00000
    126       1.6877      0.00000
    127       1.7744      0.00000
    128       1.7817      0.00000
    129       1.9129      0.00000
    130       1.9382      0.00000
    131       2.1832      0.00000
    132       2.1957      0.00000
    133       2.2349      0.00000
    134       2.4709      0.00000
    135       2.5048      0.00000
    136       2.5952      0.00000
    137       2.6408      0.00000
    138       2.7086      0.00000
    139       2.8225      0.00000
    140       2.8266      0.00000
    141       2.8608      0.00000
    142       2.9554      0.00000
    143       2.9793      0.00000
    144       3.0225      0.00000
    145       3.1431      0.00000
    146       3.3512      0.00000
    147       3.3801      0.00000
    148       3.4226      0.00000
    149       3.5890      0.00000
    150       3.6134      0.00000
    151       3.6367      0.00000
    152       3.6742      0.00000
    153       3.7862      0.00000
    154       3.8030      0.00000
    155       4.0051      0.00000
    156       4.0349      0.00000
    157       4.0536      0.00000
    158       4.1262      0.00000
    159       4.2359      0.00000
    160       4.3497      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1186      1.00000
      2     -22.1014      1.00000
      3     -21.9165      1.00000
      4     -21.3592      1.00000
      5     -20.9923      1.00000
      6     -20.9808      1.00000
      7     -20.4408      1.00000
      8     -20.4273      1.00000
      9     -20.2477      1.00000
     10     -20.2457      1.00000
     11     -19.8890      1.00000
     12     -19.8743      1.00000
     13     -18.8228      1.00000
     14     -18.7955      1.00000
     15     -18.2840      1.00000
     16     -18.2782      1.00000
     17     -18.1128      1.00000
     18     -18.1064      1.00000
     19     -17.7659      1.00000
     20     -17.7617      1.00000
     21     -17.2300      1.00000
     22     -17.2021      1.00000
     23     -17.1154      1.00000
     24     -17.0993      1.00000
     25     -16.0920      1.00000
     26     -15.8326      1.00000
     27     -15.8223      1.00000
     28     -15.8054      1.00000
     29     -15.1835      1.00000
     30     -14.5117      1.00000
     31     -14.4986      1.00000
     32     -14.2287      1.00000
     33     -13.9638      1.00000
     34     -13.9259      1.00000
     35     -13.7903      1.00000
     36     -13.7774      1.00000
     37     -13.5596      1.00000
     38     -13.5402      1.00000
     39     -13.3301      1.00000
     40     -12.6109      1.00000
     41     -12.1300      1.00000
     42     -12.1187      1.00000
     43     -12.0077      1.00000
     44     -11.9898      1.00000
     45     -11.6520      1.00000
     46     -11.6373      1.00000
     47     -11.1392      1.00000
     48     -11.1023      1.00000
     49     -10.7607      1.00000
     50     -10.7016      1.00000
     51     -10.4422      1.00000
     52     -10.1733      1.00000
     53     -10.1657      1.00000
     54     -10.1491      1.00000
     55     -10.0030      1.00000
     56      -9.9638      1.00000
     57      -9.9369      1.00000
     58      -9.8139      1.00000
     59      -9.7654      1.00000
     60      -9.7435      1.00000
     61      -9.7292      1.00000
     62      -9.4324      1.00000
     63      -9.3325      1.00000
     64      -9.0778      1.00000
     65      -9.0403      1.00000
     66      -8.9687      1.00000
     67      -8.9406      1.00000
     68      -8.8014      1.00000
     69      -8.6833      1.00000
     70      -8.6673      1.00000
     71      -8.5468      1.00000
     72      -8.5150      1.00000
     73      -8.4440      1.00000
     74      -8.4379      1.00000
     75      -8.2998      1.00000
     76      -8.2314      1.00000
     77      -8.1088      1.00000
     78      -8.0488      1.00000
     79      -8.0248      1.00000
     80      -7.7885      1.00000
     81      -7.6009      1.00000
     82      -7.5927      1.00000
     83      -7.4609      1.00000
     84      -7.0029      1.00000
     85      -6.9485      1.00000
     86      -6.8628      1.00000
     87      -6.5744      1.00000
     88      -6.5415      1.00000
     89      -6.4590      1.00000
     90      -6.4068      1.00000
     91      -6.3299      1.00000
     92      -5.9852      1.00000
     93      -5.7692      1.00000
     94      -5.7278      1.00000
     95      -5.5593      1.00000
     96      -5.3795      1.00000
     97      -5.2045      1.00000
     98      -5.1996      1.00000
     99      -5.1781      1.00000
    100      -5.1563      1.00000
    101      -4.6489      1.00000
    102      -4.5013      1.00000
    103      -4.4418      1.00000
    104      -4.3847      1.00000
    105      -3.5716      1.00000
    106      -3.4311      1.00000
    107      -2.7338      0.00000
    108      -2.4084      0.00000
    109      -1.1659      0.00000
    110      -1.1573      0.00000
    111      -1.1475      0.00000
    112      -1.0522      0.00000
    113      -0.4888      0.00000
    114      -0.4787      0.00000
    115      -0.3237      0.00000
    116      -0.2471      0.00000
    117       0.0053      0.00000
    118       0.0079      0.00000
    119       0.5222      0.00000
    120       0.6638      0.00000
    121       0.8212      0.00000
    122       1.0064      0.00000
    123       1.2442      0.00000
    124       1.5026      0.00000
    125       1.7652      0.00000
    126       1.9606      0.00000
    127       1.9607      0.00000
    128       2.0312      0.00000
    129       2.0994      0.00000
    130       2.1833      0.00000
    131       2.2885      0.00000
    132       2.2942      0.00000
    133       2.3633      0.00000
    134       2.5624      0.00000
    135       2.6379      0.00000
    136       2.6850      0.00000
    137       2.8522      0.00000
    138       2.8910      0.00000
    139       2.9665      0.00000
    140       2.9833      0.00000
    141       3.1330      0.00000
    142       3.1446      0.00000
    143       3.1494      0.00000
    144       3.1850      0.00000
    145       3.2478      0.00000
    146       3.2487      0.00000
    147       3.3378      0.00000
    148       3.3582      0.00000
    149       3.4173      0.00000
    150       3.4191      0.00000
    151       3.5158      0.00000
    152       3.6361      0.00000
    153       3.6907      0.00000
    154       3.7117      0.00000
    155       3.8401      0.00000
    156       3.9135      0.00000
    157       3.9698      0.00000
    158       3.9970      0.00000
    159       4.1192      0.00000
    160       4.2082      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2221      1.00000
      2     -22.0341      1.00000
      3     -21.6691      1.00000
      4     -21.6436      1.00000
      5     -20.9284      1.00000
      6     -20.8982      1.00000
      7     -20.5587      1.00000
      8     -20.5389      1.00000
      9     -20.5282      1.00000
     10     -19.9918      1.00000
     11     -19.4670      1.00000
     12     -19.4347      1.00000
     13     -19.2811      1.00000
     14     -19.2545      1.00000
     15     -18.3999      1.00000
     16     -18.3683      1.00000
     17     -17.8976      1.00000
     18     -17.8659      1.00000
     19     -17.7152      1.00000
     20     -17.6813      1.00000
     21     -17.4128      1.00000
     22     -17.3824      1.00000
     23     -17.2948      1.00000
     24     -16.4544      1.00000
     25     -16.4151      1.00000
     26     -15.9367      1.00000
     27     -15.3797      1.00000
     28     -15.3516      1.00000
     29     -15.0682      1.00000
     30     -15.0383      1.00000
     31     -14.8101      1.00000
     32     -14.7893      1.00000
     33     -14.2860      1.00000
     34     -14.2153      1.00000
     35     -13.4430      1.00000
     36     -13.3611      1.00000
     37     -13.1531      1.00000
     38     -13.1211      1.00000
     39     -12.9611      1.00000
     40     -12.9310      1.00000
     41     -12.5870      1.00000
     42     -12.5594      1.00000
     43     -12.1739      1.00000
     44     -11.5354      1.00000
     45     -11.4994      1.00000
     46     -11.2739      1.00000
     47     -11.2453      1.00000
     48     -11.1310      1.00000
     49     -10.7663      1.00000
     50     -10.6267      1.00000
     51     -10.4496      1.00000
     52     -10.2816      1.00000
     53     -10.2753      1.00000
     54     -10.1663      1.00000
     55     -10.0895      1.00000
     56     -10.0562      1.00000
     57      -9.8056      1.00000
     58      -9.7043      1.00000
     59      -9.6908      1.00000
     60      -9.6839      1.00000
     61      -9.6703      1.00000
     62      -9.6045      1.00000
     63      -9.3443      1.00000
     64      -9.3169      1.00000
     65      -9.2873      1.00000
     66      -8.9688      1.00000
     67      -8.9296      1.00000
     68      -8.8789      1.00000
     69      -8.7473      1.00000
     70      -8.5603      1.00000
     71      -8.4830      1.00000
     72      -8.4001      1.00000
     73      -8.3603      1.00000
     74      -8.2857      1.00000
     75      -8.2400      1.00000
     76      -8.2249      1.00000
     77      -8.2098      1.00000
     78      -8.1937      1.00000
     79      -7.9943      1.00000
     80      -7.7796      1.00000
     81      -7.4136      1.00000
     82      -7.3186      1.00000
     83      -7.2393      1.00000
     84      -7.1403      1.00000
     85      -7.0953      1.00000
     86      -6.9561      1.00000
     87      -6.9088      1.00000
     88      -6.5851      1.00000
     89      -6.5573      1.00000
     90      -6.4340      1.00000
     91      -6.2476      1.00000
     92      -5.9033      1.00000
     93      -5.8226      1.00000
     94      -5.6749      1.00000
     95      -5.5838      1.00000
     96      -5.2948      1.00000
     97      -5.2599      1.00000
     98      -5.1841      1.00000
     99      -5.1840      1.00000
    100      -5.1604      1.00000
    101      -4.5220      1.00000
    102      -4.4552      1.00000
    103      -4.3977      1.00000
    104      -4.0762      1.00000
    105      -3.9276      1.00000
    106      -3.5174      1.00000
    107      -2.8161      0.00000
    108      -1.8054      0.00000
    109      -1.7931      0.00000
    110      -1.0781      0.00000
    111      -1.0107      0.00000
    112      -0.9267      0.00000
    113      -0.6552      0.00000
    114      -0.6057      0.00000
    115      -0.5704      0.00000
    116      -0.5281      0.00000
    117       0.1596      0.00000
    118       0.2627      0.00000
    119       0.7111      0.00000
    120       0.9747      0.00000
    121       1.0950      0.00000
    122       1.2566      0.00000
    123       1.4260      0.00000
    124       1.5345      0.00000
    125       1.6022      0.00000
    126       1.6300      0.00000
    127       1.6491      0.00000
    128       1.8463      0.00000
    129       1.9381      0.00000
    130       2.1131      0.00000
    131       2.2103      0.00000
    132       2.3433      0.00000
    133       2.3736      0.00000
    134       2.4726      0.00000
    135       2.6040      0.00000
    136       2.6629      0.00000
    137       2.7405      0.00000
    138       2.7483      0.00000
    139       2.8539      0.00000
    140       2.9616      0.00000
    141       3.0533      0.00000
    142       3.0739      0.00000
    143       3.1935      0.00000
    144       3.2896      0.00000
    145       3.3362      0.00000
    146       3.3455      0.00000
    147       3.4766      0.00000
    148       3.5312      0.00000
    149       3.5638      0.00000
    150       3.6023      0.00000
    151       3.6191      0.00000
    152       3.6938      0.00000
    153       3.7360      0.00000
    154       3.7746      0.00000
    155       3.7830      0.00000
    156       3.8541      0.00000
    157       3.9307      0.00000
    158       4.0146      0.00000
    159       4.0382      0.00000
    160       4.2846      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3723      1.00000
      2     -21.5043      1.00000
      3     -21.4311      1.00000
      4     -21.4300      1.00000
      5     -21.4181      1.00000
      6     -21.4080      1.00000
      7     -21.4044      1.00000
      8     -19.6653      1.00000
      9     -19.5975      1.00000
     10     -19.5924      1.00000
     11     -19.5798      1.00000
     12     -19.5681      1.00000
     13     -19.5653      1.00000
     14     -18.7648      1.00000
     15     -18.7039      1.00000
     16     -18.6962      1.00000
     17     -18.6826      1.00000
     18     -18.6742      1.00000
     19     -18.6702      1.00000
     20     -16.6306      1.00000
     21     -16.5493      1.00000
     22     -16.5443      1.00000
     23     -16.5347      1.00000
     24     -16.5262      1.00000
     25     -16.5226      1.00000
     26     -15.6078      1.00000
     27     -15.5646      1.00000
     28     -15.5241      1.00000
     29     -15.5219      1.00000
     30     -15.5187      1.00000
     31     -15.5157      1.00000
     32     -14.2561      1.00000
     33     -14.2209      1.00000
     34     -14.1953      1.00000
     35     -14.1938      1.00000
     36     -14.1749      1.00000
     37     -14.1714      1.00000
     38     -11.9842      1.00000
     39     -11.8717      1.00000
     40     -11.8244      1.00000
     41     -11.8093      1.00000
     42     -11.8089      1.00000
     43     -11.8023      1.00000
     44     -11.7298      1.00000
     45     -11.7212      1.00000
     46     -11.7070      1.00000
     47     -11.6979      1.00000
     48     -11.6874      1.00000
     49     -11.6830      1.00000
     50     -10.6439      1.00000
     51     -10.3749      1.00000
     52     -10.3570      1.00000
     53     -10.3376      1.00000
     54     -10.3280      1.00000
     55     -10.3199      1.00000
     56     -10.2953      1.00000
     57      -9.7912      1.00000
     58      -9.4113      1.00000
     59      -9.3904      1.00000
     60      -9.3527      1.00000
     61      -9.3420      1.00000
     62      -9.3331      1.00000
     63      -9.1758      1.00000
     64      -9.0774      1.00000
     65      -9.0750      1.00000
     66      -9.0644      1.00000
     67      -9.0612      1.00000
     68      -9.0326      1.00000
     69      -9.0266      1.00000
     70      -9.0258      1.00000
     71      -9.0156      1.00000
     72      -9.0053      1.00000
     73      -8.9936      1.00000
     74      -8.9727      1.00000
     75      -7.9873      1.00000
     76      -7.7009      1.00000
     77      -7.5054      1.00000
     78      -7.4853      1.00000
     79      -7.4591      1.00000
     80      -7.4127      1.00000
     81      -7.3976      1.00000
     82      -7.3784      1.00000
     83      -7.3471      1.00000
     84      -7.2237      1.00000
     85      -7.1820      1.00000
     86      -7.1771      1.00000
     87      -7.1739      1.00000
     88      -6.6145      1.00000
     89      -6.5770      1.00000
     90      -6.3655      1.00000
     91      -6.3567      1.00000
     92      -6.3172      1.00000
     93      -6.2938      1.00000
     94      -5.9448      1.00000
     95      -5.8922      1.00000
     96      -5.3608      1.00000
     97      -5.1928      1.00000
     98      -4.8396      1.00000
     99      -4.7156      1.00000
    100      -4.3634      1.00000
    101      -4.3573      1.00000
    102      -4.3463      1.00000
    103      -4.3347      1.00000
    104      -4.1687      1.00000
    105      -3.9334      1.00000
    106      -3.5926      1.00000
    107      -2.9221      0.00000
    108      -1.5540      0.00000
    109      -1.5501      0.00000
    110      -1.5374      0.00000
    111      -1.5364      0.00000
    112      -1.4799      0.00000
    113      -1.4634      0.00000
    114       0.0758      0.00000
    115       0.2359      0.00000
    116       0.2806      0.00000
    117       0.3016      0.00000
    118       0.3069      0.00000
    119       0.3742      0.00000
    120       0.6141      0.00000
    121       1.2671      0.00000
    122       1.3684      0.00000
    123       1.7007      0.00000
    124       1.7563      0.00000
    125       1.7837      0.00000
    126       1.7888      0.00000
    127       1.8517      0.00000
    128       1.8735      0.00000
    129       2.0001      0.00000
    130       2.0052      0.00000
    131       2.0160      0.00000
    132       2.0217      0.00000
    133       2.0234      0.00000
    134       2.0860      0.00000
    135       2.3146      0.00000
    136       2.4614      0.00000
    137       2.5768      0.00000
    138       2.5986      0.00000
    139       2.6338      0.00000
    140       2.7383      0.00000
    141       2.8463      0.00000
    142       3.0344      0.00000
    143       3.0475      0.00000
    144       3.0627      0.00000
    145       3.0813      0.00000
    146       3.0954      0.00000
    147       3.1067      0.00000
    148       3.4477      0.00000
    149       3.5427      0.00000
    150       3.5863      0.00000
    151       3.9141      0.00000
    152       3.9254      0.00000
    153       3.9501      0.00000
    154       3.9562      0.00000
    155       3.9791      0.00000
    156       4.0525      0.00000
    157       4.1596      0.00000
    158       4.2103      0.00000
    159       4.2560      0.00000
    160       4.2654      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3348      1.00000
      2     -21.7723      1.00000
      3     -21.5977      1.00000
      4     -21.5674      1.00000
      5     -21.2225      1.00000
      6     -21.1946      1.00000
      7     -21.0207      1.00000
      8     -20.1198      1.00000
      9     -20.0876      1.00000
     10     -19.5722      1.00000
     11     -19.5453      1.00000
     12     -19.3784      1.00000
     13     -19.0502      1.00000
     14     -19.0194      1.00000
     15     -19.0056      1.00000
     16     -18.9948      1.00000
     17     -18.3282      1.00000
     18     -18.3044      1.00000
     19     -17.9816      1.00000
     20     -17.0356      1.00000
     21     -16.9843      1.00000
     22     -16.9177      1.00000
     23     -16.8988      1.00000
     24     -16.4375      1.00000
     25     -16.4153      1.00000
     26     -15.5903      1.00000
     27     -15.5576      1.00000
     28     -15.2358      1.00000
     29     -15.1958      1.00000
     30     -15.1322      1.00000
     31     -15.0579      1.00000
     32     -15.0295      1.00000
     33     -14.6697      1.00000
     34     -14.6507      1.00000
     35     -13.7064      1.00000
     36     -13.6804      1.00000
     37     -13.2019      1.00000
     38     -12.5980      1.00000
     39     -12.5414      1.00000
     40     -12.4198      1.00000
     41     -12.4036      1.00000
     42     -12.1105      1.00000
     43     -12.0687      1.00000
     44     -11.6968      1.00000
     45     -11.6476      1.00000
     46     -11.2343      1.00000
     47     -11.1899      1.00000
     48     -11.0080      1.00000
     49     -10.9716      1.00000
     50     -10.9100      1.00000
     51     -10.8662      1.00000
     52     -10.5300      1.00000
     53     -10.1284      1.00000
     54     -10.1222      1.00000
     55     -10.0809      1.00000
     56      -9.9190      1.00000
     57      -9.7073      1.00000
     58      -9.6701      1.00000
     59      -9.6122      1.00000
     60      -9.5826      1.00000
     61      -9.5436      1.00000
     62      -9.4796      1.00000
     63      -9.2961      1.00000
     64      -9.2768      1.00000
     65      -9.2294      1.00000
     66      -9.1755      1.00000
     67      -9.1105      1.00000
     68      -9.0757      1.00000
     69      -9.0650      1.00000
     70      -8.9051      1.00000
     71      -8.8462      1.00000
     72      -8.6034      1.00000
     73      -8.5659      1.00000
     74      -8.1227      1.00000
     75      -8.0447      1.00000
     76      -7.9499      1.00000
     77      -7.8304      1.00000
     78      -7.7919      1.00000
     79      -7.7290      1.00000
     80      -7.6930      1.00000
     81      -7.3486      1.00000
     82      -7.3339      1.00000
     83      -7.3268      1.00000
     84      -7.2701      1.00000
     85      -7.0657      1.00000
     86      -6.9821      1.00000
     87      -6.8253      1.00000
     88      -6.7506      1.00000
     89      -6.6427      1.00000
     90      -6.5644      1.00000
     91      -6.1382      1.00000
     92      -6.1044      1.00000
     93      -6.0934      1.00000
     94      -5.9664      1.00000
     95      -5.7348      1.00000
     96      -5.3970      1.00000
     97      -5.2076      1.00000
     98      -4.9398      1.00000
     99      -4.7990      1.00000
    100      -4.6381      1.00000
    101      -4.5374      1.00000
    102      -4.4853      1.00000
    103      -4.3643      1.00000
    104      -4.0452      1.00000
    105      -3.8149      1.00000
    106      -3.5698      1.00000
    107      -2.9442      0.00000
    108      -1.7191      0.00000
    109      -1.6762      0.00000
    110      -1.2935      0.00000
    111      -1.2726      0.00000
    112      -1.2458      0.00000
    113      -1.2133      0.00000
    114      -0.5605      0.00000
    115      -0.1917      0.00000
    116      -0.1703      0.00000
    117       0.6291      0.00000
    118       0.6770      0.00000
    119       0.7258      0.00000
    120       0.9856      0.00000
    121       1.1165      0.00000
    122       1.2408      0.00000
    123       1.3410      0.00000
    124       1.4458      0.00000
    125       1.4963      0.00000
    126       1.7412      0.00000
    127       1.7635      0.00000
    128       1.7995      0.00000
    129       1.8557      0.00000
    130       1.9504      0.00000
    131       2.1710      0.00000
    132       2.2113      0.00000
    133       2.2618      0.00000
    134       2.4291      0.00000
    135       2.5070      0.00000
    136       2.6123      0.00000
    137       2.6897      0.00000
    138       2.6967      0.00000
    139       2.7783      0.00000
    140       2.8017      0.00000
    141       2.8544      0.00000
    142       2.8586      0.00000
    143       2.9960      0.00000
    144       3.0628      0.00000
    145       3.2709      0.00000
    146       3.3593      0.00000
    147       3.3705      0.00000
    148       3.4450      0.00000
    149       3.5249      0.00000
    150       3.5808      0.00000
    151       3.6533      0.00000
    152       3.7249      0.00000
    153       3.7644      0.00000
    154       3.9310      0.00000
    155       3.9574      0.00000
    156       4.0396      0.00000
    157       4.0822      0.00000
    158       4.1631      0.00000
    159       4.2397      0.00000
    160       4.2698      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2232      1.00000
      2     -22.0317      1.00000
      3     -21.6721      1.00000
      4     -21.6423      1.00000
      5     -20.9285      1.00000
      6     -20.8977      1.00000
      7     -20.5681      1.00000
      8     -20.5335      1.00000
      9     -20.5244      1.00000
     10     -19.9917      1.00000
     11     -19.4666      1.00000
     12     -19.4374      1.00000
     13     -19.2747      1.00000
     14     -19.2546      1.00000
     15     -18.4062      1.00000
     16     -18.3684      1.00000
     17     -17.8955      1.00000
     18     -17.8656      1.00000
     19     -17.7179      1.00000
     20     -17.6831      1.00000
     21     -17.4081      1.00000
     22     -17.3837      1.00000
     23     -17.3054      1.00000
     24     -16.4329      1.00000
     25     -16.4126      1.00000
     26     -15.9180      1.00000
     27     -15.3894      1.00000
     28     -15.3597      1.00000
     29     -15.0731      1.00000
     30     -15.0459      1.00000
     31     -14.8380      1.00000
     32     -14.8040      1.00000
     33     -14.2534      1.00000
     34     -14.2160      1.00000
     35     -13.4117      1.00000
     36     -13.3623      1.00000
     37     -13.1604      1.00000
     38     -13.1310      1.00000
     39     -12.9366      1.00000
     40     -12.9270      1.00000
     41     -12.6030      1.00000
     42     -12.5707      1.00000
     43     -12.1697      1.00000
     44     -11.5639      1.00000
     45     -11.5034      1.00000
     46     -11.3012      1.00000
     47     -11.2502      1.00000
     48     -11.1212      1.00000
     49     -10.6819      1.00000
     50     -10.6329      1.00000
     51     -10.4482      1.00000
     52     -10.2879      1.00000
     53     -10.2751      1.00000
     54     -10.1607      1.00000
     55     -10.0842      1.00000
     56     -10.0707      1.00000
     57      -9.7890      1.00000
     58      -9.7394      1.00000
     59      -9.6951      1.00000
     60      -9.6743      1.00000
     61      -9.6601      1.00000
     62      -9.5981      1.00000
     63      -9.3383      1.00000
     64      -9.3211      1.00000
     65      -9.2874      1.00000
     66      -9.0299      1.00000
     67      -8.9330      1.00000
     68      -8.8421      1.00000
     69      -8.7614      1.00000
     70      -8.5920      1.00000
     71      -8.4960      1.00000
     72      -8.3701      1.00000
     73      -8.3634      1.00000
     74      -8.3039      1.00000
     75      -8.2444      1.00000
     76      -8.2426      1.00000
     77      -8.2239      1.00000
     78      -8.1964      1.00000
     79      -7.8736      1.00000
     80      -7.7449      1.00000
     81      -7.3705      1.00000
     82      -7.3158      1.00000
     83      -7.2987      1.00000
     84      -7.2071      1.00000
     85      -7.1803      1.00000
     86      -6.9498      1.00000
     87      -6.9314      1.00000
     88      -6.5932      1.00000
     89      -6.5393      1.00000
     90      -6.2653      1.00000
     91      -6.2011      1.00000
     92      -5.9822      1.00000
     93      -5.8153      1.00000
     94      -5.6693      1.00000
     95      -5.5143      1.00000
     96      -5.3310      1.00000
     97      -5.3056      1.00000
     98      -5.1926      1.00000
     99      -5.1901      1.00000
    100      -5.1081      1.00000
    101      -4.6898      1.00000
    102      -4.5493      1.00000
    103      -4.4510      1.00000
    104      -3.9151      1.00000
    105      -3.7077      1.00000
    106      -3.5356      1.00000
    107      -2.9665      0.00000
    108      -1.8176      0.00000
    109      -1.7625      0.00000
    110      -1.0863      0.00000
    111      -0.9719      0.00000
    112      -0.9419      0.00000
    113      -0.6478      0.00000
    114      -0.6055      0.00000
    115      -0.5693      0.00000
    116      -0.5315      0.00000
    117       0.1756      0.00000
    118       0.2565      0.00000
    119       0.7895      0.00000
    120       1.0062      0.00000
    121       1.1143      0.00000
    122       1.1679      0.00000
    123       1.3566      0.00000
    124       1.4802      0.00000
    125       1.5911      0.00000
    126       1.5955      0.00000
    127       1.6855      0.00000
    128       1.9085      0.00000
    129       1.9511      0.00000
    130       2.0290      0.00000
    131       2.1895      0.00000
    132       2.3429      0.00000
    133       2.3889      0.00000
    134       2.4121      0.00000
    135       2.5982      0.00000
    136       2.6855      0.00000
    137       2.7428      0.00000
    138       2.7809      0.00000
    139       2.8397      0.00000
    140       3.0054      0.00000
    141       3.0533      0.00000
    142       3.0849      0.00000
    143       3.1393      0.00000
    144       3.2599      0.00000
    145       3.3296      0.00000
    146       3.3918      0.00000
    147       3.4555      0.00000
    148       3.5419      0.00000
    149       3.5768      0.00000
    150       3.6028      0.00000
    151       3.6803      0.00000
    152       3.7051      0.00000
    153       3.7682      0.00000
    154       3.7876      0.00000
    155       3.7951      0.00000
    156       3.9389      0.00000
    157       3.9434      0.00000
    158       4.0367      0.00000
    159       4.1972      0.00000
    160       4.2621      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2602      1.00000
      2     -21.8890      1.00000
      3     -21.8757      1.00000
      4     -21.3272      1.00000
      5     -21.3154      1.00000
      6     -20.7717      1.00000
      7     -20.7563      1.00000
      8     -20.5791      1.00000
      9     -20.0307      1.00000
     10     -20.0278      1.00000
     11     -19.6720      1.00000
     12     -19.6578      1.00000
     13     -18.9491      1.00000
     14     -18.9489      1.00000
     15     -18.5936      1.00000
     16     -18.5932      1.00000
     17     -18.4187      1.00000
     18     -17.6434      1.00000
     19     -17.5880      1.00000
     20     -17.5659      1.00000
     21     -17.5605      1.00000
     22     -17.0743      1.00000
     23     -17.0729      1.00000
     24     -16.9205      1.00000
     25     -15.9540      1.00000
     26     -15.9047      1.00000
     27     -15.5486      1.00000
     28     -15.5315      1.00000
     29     -15.2690      1.00000
     30     -14.8178      1.00000
     31     -14.7948      1.00000
     32     -14.5416      1.00000
     33     -14.5105      1.00000
     34     -14.1323      1.00000
     35     -14.1279      1.00000
     36     -13.1050      1.00000
     37     -13.0422      1.00000
     38     -13.0181      1.00000
     39     -12.9876      1.00000
     40     -12.6763      1.00000
     41     -12.6745      1.00000
     42     -12.2887      1.00000
     43     -12.2817      1.00000
     44     -11.6531      1.00000
     45     -11.6002      1.00000
     46     -11.5401      1.00000
     47     -10.9411      1.00000
     48     -10.8917      1.00000
     49     -10.6375      1.00000
     50     -10.5971      1.00000
     51     -10.4754      1.00000
     52     -10.4648      1.00000
     53     -10.4063      1.00000
     54     -10.4035      1.00000
     55     -10.3152      1.00000
     56     -10.0401      1.00000
     57      -9.8760      1.00000
     58      -9.5860      1.00000
     59      -9.5214      1.00000
     60      -9.5028      1.00000
     61      -9.3790      1.00000
     62      -9.3715      1.00000
     63      -9.3411      1.00000
     64      -9.2944      1.00000
     65      -9.2423      1.00000
     66      -9.1702      1.00000
     67      -9.1270      1.00000
     68      -9.0834      1.00000
     69      -8.8454      1.00000
     70      -8.8250      1.00000
     71      -8.6815      1.00000
     72      -8.5746      1.00000
     73      -8.4197      1.00000
     74      -8.1995      1.00000
     75      -8.1528      1.00000
     76      -7.9732      1.00000
     77      -7.8834      1.00000
     78      -7.8202      1.00000
     79      -7.7933      1.00000
     80      -7.7664      1.00000
     81      -7.6762      1.00000
     82      -7.6208      1.00000
     83      -7.4098      1.00000
     84      -7.3509      1.00000
     85      -6.8997      1.00000
     86      -6.8918      1.00000
     87      -6.7306      1.00000
     88      -6.6473      1.00000
     89      -6.4091      1.00000
     90      -6.3309      1.00000
     91      -6.2894      1.00000
     92      -6.1837      1.00000
     93      -5.9730      1.00000
     94      -5.5815      1.00000
     95      -5.4781      1.00000
     96      -5.4118      1.00000
     97      -5.3708      1.00000
     98      -5.1940      1.00000
     99      -5.1071      1.00000
    100      -4.7531      1.00000
    101      -4.7036      1.00000
    102      -4.5693      1.00000
    103      -4.4193      1.00000
    104      -4.2017      1.00000
    105      -3.5535      1.00000
    106      -3.3956      1.00000
    107      -3.0494      0.00000
    108      -2.1031      0.00000
    109      -1.2456      0.00000
    110      -1.2044      0.00000
    111      -1.1759      0.00000
    112      -0.9330      0.00000
    113      -0.8336      0.00000
    114      -0.7844      0.00000
    115      -0.7022      0.00000
    116       0.1963      0.00000
    117       0.2016      0.00000
    118       0.3058      0.00000
    119       0.7679      0.00000
    120       0.8218      0.00000
    121       0.9127      0.00000
    122       1.1198      0.00000
    123       1.3278      0.00000
    124       1.5070      0.00000
    125       1.5818      0.00000
    126       1.8081      0.00000
    127       1.8346      0.00000
    128       1.8759      0.00000
    129       1.9676      0.00000
    130       1.9846      0.00000
    131       2.2529      0.00000
    132       2.4090      0.00000
    133       2.4134      0.00000
    134       2.4283      0.00000
    135       2.5591      0.00000
    136       2.5864      0.00000
    137       2.6299      0.00000
    138       2.7170      0.00000
    139       2.7354      0.00000
    140       2.9615      0.00000
    141       3.0557      0.00000
    142       3.1281      0.00000
    143       3.1924      0.00000
    144       3.2368      0.00000
    145       3.2407      0.00000
    146       3.3107      0.00000
    147       3.3353      0.00000
    148       3.5170      0.00000
    149       3.5206      0.00000
    150       3.6267      0.00000
    151       3.6971      0.00000
    152       3.7297      0.00000
    153       3.8020      0.00000
    154       3.9285      0.00000
    155       3.9848      0.00000
    156       3.9862      0.00000
    157       3.9963      0.00000
    158       4.0115      0.00000
    159       4.0353      0.00000
    160       4.1404      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1286      1.00000
      2     -22.0895      1.00000
      3     -21.9185      1.00000
      4     -21.3591      1.00000
      5     -21.0044      1.00000
      6     -20.9685      1.00000
      7     -20.4528      1.00000
      8     -20.4149      1.00000
      9     -20.2615      1.00000
     10     -20.2316      1.00000
     11     -19.9010      1.00000
     12     -19.8630      1.00000
     13     -18.8282      1.00000
     14     -18.7845      1.00000
     15     -18.3120      1.00000
     16     -18.2615      1.00000
     17     -18.1215      1.00000
     18     -18.0923      1.00000
     19     -17.7857      1.00000
     20     -17.7466      1.00000
     21     -17.2258      1.00000
     22     -17.1945      1.00000
     23     -17.1328      1.00000
     24     -17.0939      1.00000
     25     -16.0582      1.00000
     26     -15.8597      1.00000
     27     -15.8221      1.00000
     28     -15.7897      1.00000
     29     -15.2094      1.00000
     30     -14.5306      1.00000
     31     -14.4849      1.00000
     32     -14.2538      1.00000
     33     -13.9298      1.00000
     34     -13.9181      1.00000
     35     -13.7921      1.00000
     36     -13.7629      1.00000
     37     -13.5827      1.00000
     38     -13.5343      1.00000
     39     -13.3234      1.00000
     40     -12.5849      1.00000
     41     -12.1758      1.00000
     42     -12.1012      1.00000
     43     -12.0355      1.00000
     44     -11.9904      1.00000
     45     -11.6564      1.00000
     46     -11.6213      1.00000
     47     -11.1384      1.00000
     48     -11.0835      1.00000
     49     -10.7815      1.00000
     50     -10.7049      1.00000
     51     -10.4046      1.00000
     52     -10.1933      1.00000
     53     -10.1680      1.00000
     54     -10.1266      1.00000
     55      -9.9940      1.00000
     56      -9.9825      1.00000
     57      -9.9408      1.00000
     58      -9.7949      1.00000
     59      -9.7706      1.00000
     60      -9.7420      1.00000
     61      -9.7212      1.00000
     62      -9.4383      1.00000
     63      -9.3355      1.00000
     64      -9.0896      1.00000
     65      -9.0443      1.00000
     66      -9.0034      1.00000
     67      -8.8915      1.00000
     68      -8.8259      1.00000
     69      -8.7085      1.00000
     70      -8.6655      1.00000
     71      -8.5674      1.00000
     72      -8.5081      1.00000
     73      -8.4726      1.00000
     74      -8.4377      1.00000
     75      -8.3320      1.00000
     76      -8.1983      1.00000
     77      -8.0666      1.00000
     78      -7.9807      1.00000
     79      -7.9068      1.00000
     80      -7.8807      1.00000
     81      -7.6954      1.00000
     82      -7.5617      1.00000
     83      -7.4939      1.00000
     84      -6.9792      1.00000
     85      -6.9095      1.00000
     86      -6.8596      1.00000
     87      -6.7413      1.00000
     88      -6.5202      1.00000
     89      -6.4685      1.00000
     90      -6.3795      1.00000
     91      -6.1925      1.00000
     92      -5.9300      1.00000
     93      -5.7963      1.00000
     94      -5.7503      1.00000
     95      -5.5570      1.00000
     96      -5.3764      1.00000
     97      -5.2437      1.00000
     98      -5.1960      1.00000
     99      -5.1821      1.00000
    100      -5.1227      1.00000
    101      -4.8095      1.00000
    102      -4.5392      1.00000
    103      -4.4572      1.00000
    104      -4.2457      1.00000
    105      -3.5545      1.00000
    106      -3.2902      1.00000
    107      -2.9391      0.00000
    108      -2.3440      0.00000
    109      -1.1834      0.00000
    110      -1.1644      0.00000
    111      -1.1148      0.00000
    112      -1.0594      0.00000
    113      -0.5036      0.00000
    114      -0.4567      0.00000
    115      -0.2976      0.00000
    116      -0.2729      0.00000
    117       0.0002      0.00000
    118       0.0351      0.00000
    119       0.5318      0.00000
    120       0.6424      0.00000
    121       0.8839      0.00000
    122       0.9804      0.00000
    123       1.1894      0.00000
    124       1.5341      0.00000
    125       1.7628      0.00000
    126       1.7822      0.00000
    127       2.0091      0.00000
    128       2.1205      0.00000
    129       2.1340      0.00000
    130       2.1490      0.00000
    131       2.2622      0.00000
    132       2.3087      0.00000
    133       2.3603      0.00000
    134       2.4624      0.00000
    135       2.6690      0.00000
    136       2.7572      0.00000
    137       2.7982      0.00000
    138       2.8796      0.00000
    139       2.9634      0.00000
    140       3.0010      0.00000
    141       3.0577      0.00000
    142       3.1125      0.00000
    143       3.1673      0.00000
    144       3.2368      0.00000
    145       3.2665      0.00000
    146       3.2980      0.00000
    147       3.3289      0.00000
    148       3.3509      0.00000
    149       3.4035      0.00000
    150       3.5365      0.00000
    151       3.6174      0.00000
    152       3.6735      0.00000
    153       3.6989      0.00000
    154       3.7114      0.00000
    155       3.7316      0.00000
    156       3.7914      0.00000
    157       3.9612      0.00000
    158       4.0609      0.00000
    159       4.1370      0.00000
    160       4.2660      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2598      1.00000
      2     -21.9015      1.00000
      3     -21.8633      1.00000
      4     -21.3388      1.00000
      5     -21.3032      1.00000
      6     -20.7832      1.00000
      7     -20.7449      1.00000
      8     -20.5789      1.00000
      9     -20.0480      1.00000
     10     -20.0124      1.00000
     11     -19.6813      1.00000
     12     -19.6465      1.00000
     13     -18.9688      1.00000
     14     -18.9313      1.00000
     15     -18.6130      1.00000
     16     -18.5757      1.00000
     17     -18.4181      1.00000
     18     -17.6330      1.00000
     19     -17.5878      1.00000
     20     -17.5669      1.00000
     21     -17.5496      1.00000
     22     -17.0987      1.00000
     23     -17.0562      1.00000
     24     -16.9385      1.00000
     25     -15.9818      1.00000
     26     -15.8706      1.00000
     27     -15.5677      1.00000
     28     -15.5288      1.00000
     29     -15.2322      1.00000
     30     -14.8497      1.00000
     31     -14.7921      1.00000
     32     -14.5387      1.00000
     33     -14.5008      1.00000
     34     -14.1290      1.00000
     35     -14.1171      1.00000
     36     -13.1562      1.00000
     37     -13.0504      1.00000
     38     -12.9967      1.00000
     39     -12.9769      1.00000
     40     -12.7000      1.00000
     41     -12.6548      1.00000
     42     -12.2982      1.00000
     43     -12.2792      1.00000
     44     -11.6198      1.00000
     45     -11.5866      1.00000
     46     -11.5266      1.00000
     47     -10.9231      1.00000
     48     -10.8973      1.00000
     49     -10.7126      1.00000
     50     -10.5667      1.00000
     51     -10.5346      1.00000
     52     -10.4666      1.00000
     53     -10.4261      1.00000
     54     -10.3668      1.00000
     55     -10.3156      1.00000
     56     -10.0345      1.00000
     57      -9.8705      1.00000
     58      -9.6022      1.00000
     59      -9.5228      1.00000
     60      -9.4548      1.00000
     61      -9.4046      1.00000
     62      -9.3727      1.00000
     63      -9.3421      1.00000
     64      -9.2977      1.00000
     65      -9.2458      1.00000
     66      -9.1348      1.00000
     67      -9.0887      1.00000
     68      -9.0719      1.00000
     69      -8.8513      1.00000
     70      -8.8333      1.00000
     71      -8.7032      1.00000
     72      -8.5603      1.00000
     73      -8.4380      1.00000
     74      -8.1978      1.00000
     75      -8.1703      1.00000
     76      -8.0391      1.00000
     77      -7.8668      1.00000
     78      -7.8040      1.00000
     79      -7.7707      1.00000
     80      -7.7180      1.00000
     81      -7.6795      1.00000
     82      -7.6417      1.00000
     83      -7.4470      1.00000
     84      -7.3083      1.00000
     85      -6.9195      1.00000
     86      -6.8887      1.00000
     87      -6.7759      1.00000
     88      -6.5576      1.00000
     89      -6.3891      1.00000
     90      -6.3229      1.00000
     91      -6.2777      1.00000
     92      -6.1700      1.00000
     93      -6.0679      1.00000
     94      -5.7831      1.00000
     95      -5.5322      1.00000
     96      -5.3566      1.00000
     97      -5.2045      1.00000
     98      -5.1777      1.00000
     99      -5.0301      1.00000
    100      -4.8138      1.00000
    101      -4.6693      1.00000
    102      -4.4929      1.00000
    103      -4.4309      1.00000
    104      -4.2370      1.00000
    105      -3.6321      1.00000
    106      -3.5460      1.00000
    107      -2.8452      0.00000
    108      -2.1358      0.00000
    109      -1.2462      0.00000
    110      -1.1893      0.00000
    111      -1.1785      0.00000
    112      -0.8859      0.00000
    113      -0.8676      0.00000
    114      -0.7863      0.00000
    115      -0.7536      0.00000
    116       0.1428      0.00000
    117       0.2441      0.00000
    118       0.3165      0.00000
    119       0.7206      0.00000
    120       0.8575      0.00000
    121       0.9365      0.00000
    122       1.1661      0.00000
    123       1.2613      0.00000
    124       1.5201      0.00000
    125       1.5791      0.00000
    126       1.7988      0.00000
    127       1.8840      0.00000
    128       1.8903      0.00000
    129       1.9667      0.00000
    130       2.0502      0.00000
    131       2.2225      0.00000
    132       2.3372      0.00000
    133       2.4305      0.00000
    134       2.4426      0.00000
    135       2.5795      0.00000
    136       2.6077      0.00000
    137       2.6659      0.00000
    138       2.7177      0.00000
    139       2.7555      0.00000
    140       2.8946      0.00000
    141       3.0429      0.00000
    142       3.1403      0.00000
    143       3.2004      0.00000
    144       3.2259      0.00000
    145       3.2426      0.00000
    146       3.2829      0.00000
    147       3.3326      0.00000
    148       3.4442      0.00000
    149       3.5445      0.00000
    150       3.6085      0.00000
    151       3.6951      0.00000
    152       3.7149      0.00000
    153       3.8579      0.00000
    154       3.9034      0.00000
    155       3.9323      0.00000
    156       3.9616      0.00000
    157       4.0142      0.00000
    158       4.0180      0.00000
    159       4.0375      0.00000
    160       4.0834      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3347      1.00000
      2     -21.7743      1.00000
      3     -21.5934      1.00000
      4     -21.5688      1.00000
      5     -21.2242      1.00000
      6     -21.1950      1.00000
      7     -21.0193      1.00000
      8     -20.1197      1.00000
      9     -20.0881      1.00000
     10     -19.5769      1.00000
     11     -19.5432      1.00000
     12     -19.3733      1.00000
     13     -19.0609      1.00000
     14     -19.0210      1.00000
     15     -19.0043      1.00000
     16     -18.9866      1.00000
     17     -18.3336      1.00000
     18     -18.3032      1.00000
     19     -17.9742      1.00000
     20     -17.0238      1.00000
     21     -16.9829      1.00000
     22     -16.9258      1.00000
     23     -16.9002      1.00000
     24     -16.4551      1.00000
     25     -16.4201      1.00000
     26     -15.5766      1.00000
     27     -15.5479      1.00000
     28     -15.2044      1.00000
     29     -15.1825      1.00000
     30     -15.1633      1.00000
     31     -15.0834      1.00000
     32     -15.0301      1.00000
     33     -14.6708      1.00000
     34     -14.6438      1.00000
     35     -13.7044      1.00000
     36     -13.6718      1.00000
     37     -13.2078      1.00000
     38     -12.6394      1.00000
     39     -12.5396      1.00000
     40     -12.4267      1.00000
     41     -12.4045      1.00000
     42     -12.0744      1.00000
     43     -12.0526      1.00000
     44     -11.6779      1.00000
     45     -11.6458      1.00000
     46     -11.2872      1.00000
     47     -11.1858      1.00000
     48     -10.9962      1.00000
     49     -10.9651      1.00000
     50     -10.8889      1.00000
     51     -10.8566      1.00000
     52     -10.5623      1.00000
     53     -10.2067      1.00000
     54     -10.1170      1.00000
     55     -10.0600      1.00000
     56      -9.8900      1.00000
     57      -9.6630      1.00000
     58      -9.6630      1.00000
     59      -9.6267      1.00000
     60      -9.6009      1.00000
     61      -9.5329      1.00000
     62      -9.4743      1.00000
     63      -9.3134      1.00000
     64      -9.2654      1.00000
     65      -9.2219      1.00000
     66      -9.1936      1.00000
     67      -9.0958      1.00000
     68      -9.0909      1.00000
     69      -9.0692      1.00000
     70      -8.9032      1.00000
     71      -8.8386      1.00000
     72      -8.5730      1.00000
     73      -8.5601      1.00000
     74      -8.1712      1.00000
     75      -8.0112      1.00000
     76      -7.9476      1.00000
     77      -7.8834      1.00000
     78      -7.7770      1.00000
     79      -7.7277      1.00000
     80      -7.7141      1.00000
     81      -7.4030      1.00000
     82      -7.2832      1.00000
     83      -7.2447      1.00000
     84      -7.2185      1.00000
     85      -7.1530      1.00000
     86      -6.9684      1.00000
     87      -6.8567      1.00000
     88      -6.6942      1.00000
     89      -6.6623      1.00000
     90      -6.5856      1.00000
     91      -6.1600      1.00000
     92      -6.0872      1.00000
     93      -6.0723      1.00000
     94      -5.9096      1.00000
     95      -5.8824      1.00000
     96      -5.3763      1.00000
     97      -5.1908      1.00000
     98      -4.8731      1.00000
     99      -4.8561      1.00000
    100      -4.6465      1.00000
    101      -4.5236      1.00000
    102      -4.3904      1.00000
    103      -4.2660      1.00000
    104      -4.0644      1.00000
    105      -4.0394      1.00000
    106      -3.5642      1.00000
    107      -2.8666      0.00000
    108      -1.7043      0.00000
    109      -1.6992      0.00000
    110      -1.3076      0.00000
    111      -1.2613      0.00000
    112      -1.2310      0.00000
    113      -1.2291      0.00000
    114      -0.5673      0.00000
    115      -0.2550      0.00000
    116      -0.1145      0.00000
    117       0.5841      0.00000
    118       0.6741      0.00000
    119       0.8087      0.00000
    120       0.9572      0.00000
    121       1.1398      0.00000
    122       1.2046      0.00000
    123       1.2818      0.00000
    124       1.4548      0.00000
    125       1.6192      0.00000
    126       1.6877      0.00000
    127       1.7744      0.00000
    128       1.7817      0.00000
    129       1.9129      0.00000
    130       1.9382      0.00000
    131       2.1832      0.00000
    132       2.1957      0.00000
    133       2.2349      0.00000
    134       2.4709      0.00000
    135       2.5048      0.00000
    136       2.5952      0.00000
    137       2.6407      0.00000
    138       2.7086      0.00000
    139       2.8225      0.00000
    140       2.8266      0.00000
    141       2.8608      0.00000
    142       2.9553      0.00000
    143       2.9793      0.00000
    144       3.0225      0.00000
    145       3.1431      0.00000
    146       3.3511      0.00000
    147       3.3801      0.00000
    148       3.4226      0.00000
    149       3.5889      0.00000
    150       3.6134      0.00000
    151       3.6367      0.00000
    152       3.6742      0.00000
    153       3.7862      0.00000
    154       3.8030      0.00000
    155       4.0051      0.00000
    156       4.0349      0.00000
    157       4.0536      0.00000
    158       4.1262      0.00000
    159       4.2359      0.00000
    160       4.3497      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1186      1.00000
      2     -22.1014      1.00000
      3     -21.9165      1.00000
      4     -21.3592      1.00000
      5     -20.9923      1.00000
      6     -20.9808      1.00000
      7     -20.4408      1.00000
      8     -20.4273      1.00000
      9     -20.2477      1.00000
     10     -20.2457      1.00000
     11     -19.8890      1.00000
     12     -19.8743      1.00000
     13     -18.8228      1.00000
     14     -18.7955      1.00000
     15     -18.2840      1.00000
     16     -18.2782      1.00000
     17     -18.1128      1.00000
     18     -18.1064      1.00000
     19     -17.7659      1.00000
     20     -17.7617      1.00000
     21     -17.2300      1.00000
     22     -17.2021      1.00000
     23     -17.1154      1.00000
     24     -17.0993      1.00000
     25     -16.0920      1.00000
     26     -15.8326      1.00000
     27     -15.8223      1.00000
     28     -15.8054      1.00000
     29     -15.1835      1.00000
     30     -14.5117      1.00000
     31     -14.4986      1.00000
     32     -14.2287      1.00000
     33     -13.9638      1.00000
     34     -13.9259      1.00000
     35     -13.7903      1.00000
     36     -13.7774      1.00000
     37     -13.5596      1.00000
     38     -13.5402      1.00000
     39     -13.3301      1.00000
     40     -12.6109      1.00000
     41     -12.1300      1.00000
     42     -12.1187      1.00000
     43     -12.0077      1.00000
     44     -11.9898      1.00000
     45     -11.6520      1.00000
     46     -11.6373      1.00000
     47     -11.1392      1.00000
     48     -11.1023      1.00000
     49     -10.7607      1.00000
     50     -10.7016      1.00000
     51     -10.4422      1.00000
     52     -10.1733      1.00000
     53     -10.1657      1.00000
     54     -10.1491      1.00000
     55     -10.0030      1.00000
     56      -9.9638      1.00000
     57      -9.9369      1.00000
     58      -9.8139      1.00000
     59      -9.7654      1.00000
     60      -9.7435      1.00000
     61      -9.7292      1.00000
     62      -9.4324      1.00000
     63      -9.3325      1.00000
     64      -9.0778      1.00000
     65      -9.0403      1.00000
     66      -8.9687      1.00000
     67      -8.9406      1.00000
     68      -8.8014      1.00000
     69      -8.6833      1.00000
     70      -8.6673      1.00000
     71      -8.5468      1.00000
     72      -8.5150      1.00000
     73      -8.4440      1.00000
     74      -8.4379      1.00000
     75      -8.2998      1.00000
     76      -8.2314      1.00000
     77      -8.1088      1.00000
     78      -8.0488      1.00000
     79      -8.0248      1.00000
     80      -7.7885      1.00000
     81      -7.6009      1.00000
     82      -7.5927      1.00000
     83      -7.4609      1.00000
     84      -7.0029      1.00000
     85      -6.9485      1.00000
     86      -6.8628      1.00000
     87      -6.5744      1.00000
     88      -6.5415      1.00000
     89      -6.4590      1.00000
     90      -6.4068      1.00000
     91      -6.3299      1.00000
     92      -5.9852      1.00000
     93      -5.7692      1.00000
     94      -5.7278      1.00000
     95      -5.5593      1.00000
     96      -5.3795      1.00000
     97      -5.2045      1.00000
     98      -5.1996      1.00000
     99      -5.1781      1.00000
    100      -5.1563      1.00000
    101      -4.6489      1.00000
    102      -4.5013      1.00000
    103      -4.4418      1.00000
    104      -4.3847      1.00000
    105      -3.5716      1.00000
    106      -3.4311      1.00000
    107      -2.7338      0.00000
    108      -2.4084      0.00000
    109      -1.1659      0.00000
    110      -1.1573      0.00000
    111      -1.1475      0.00000
    112      -1.0522      0.00000
    113      -0.4888      0.00000
    114      -0.4787      0.00000
    115      -0.3237      0.00000
    116      -0.2471      0.00000
    117       0.0053      0.00000
    118       0.0079      0.00000
    119       0.5222      0.00000
    120       0.6638      0.00000
    121       0.8212      0.00000
    122       1.0064      0.00000
    123       1.2442      0.00000
    124       1.5026      0.00000
    125       1.7652      0.00000
    126       1.9606      0.00000
    127       1.9607      0.00000
    128       2.0312      0.00000
    129       2.0994      0.00000
    130       2.1833      0.00000
    131       2.2885      0.00000
    132       2.2942      0.00000
    133       2.3632      0.00000
    134       2.5624      0.00000
    135       2.6379      0.00000
    136       2.6850      0.00000
    137       2.8522      0.00000
    138       2.8910      0.00000
    139       2.9665      0.00000
    140       2.9833      0.00000
    141       3.1330      0.00000
    142       3.1446      0.00000
    143       3.1494      0.00000
    144       3.1850      0.00000
    145       3.2478      0.00000
    146       3.2487      0.00000
    147       3.3378      0.00000
    148       3.3581      0.00000
    149       3.4173      0.00000
    150       3.4191      0.00000
    151       3.5158      0.00000
    152       3.6361      0.00000
    153       3.6906      0.00000
    154       3.7116      0.00000
    155       3.8401      0.00000
    156       3.9135      0.00000
    157       3.9697      0.00000
    158       3.9970      0.00000
    159       4.1192      0.00000
    160       4.2082      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2221      1.00000
      2     -22.0341      1.00000
      3     -21.6691      1.00000
      4     -21.6436      1.00000
      5     -20.9284      1.00000
      6     -20.8982      1.00000
      7     -20.5587      1.00000
      8     -20.5389      1.00000
      9     -20.5282      1.00000
     10     -19.9918      1.00000
     11     -19.4670      1.00000
     12     -19.4347      1.00000
     13     -19.2811      1.00000
     14     -19.2545      1.00000
     15     -18.3999      1.00000
     16     -18.3683      1.00000
     17     -17.8976      1.00000
     18     -17.8659      1.00000
     19     -17.7152      1.00000
     20     -17.6813      1.00000
     21     -17.4128      1.00000
     22     -17.3824      1.00000
     23     -17.2948      1.00000
     24     -16.4544      1.00000
     25     -16.4151      1.00000
     26     -15.9367      1.00000
     27     -15.3797      1.00000
     28     -15.3516      1.00000
     29     -15.0682      1.00000
     30     -15.0383      1.00000
     31     -14.8101      1.00000
     32     -14.7893      1.00000
     33     -14.2860      1.00000
     34     -14.2153      1.00000
     35     -13.4430      1.00000
     36     -13.3611      1.00000
     37     -13.1531      1.00000
     38     -13.1211      1.00000
     39     -12.9611      1.00000
     40     -12.9310      1.00000
     41     -12.5870      1.00000
     42     -12.5594      1.00000
     43     -12.1739      1.00000
     44     -11.5354      1.00000
     45     -11.4994      1.00000
     46     -11.2739      1.00000
     47     -11.2453      1.00000
     48     -11.1310      1.00000
     49     -10.7663      1.00000
     50     -10.6267      1.00000
     51     -10.4496      1.00000
     52     -10.2816      1.00000
     53     -10.2753      1.00000
     54     -10.1663      1.00000
     55     -10.0895      1.00000
     56     -10.0562      1.00000
     57      -9.8056      1.00000
     58      -9.7043      1.00000
     59      -9.6908      1.00000
     60      -9.6839      1.00000
     61      -9.6703      1.00000
     62      -9.6045      1.00000
     63      -9.3443      1.00000
     64      -9.3169      1.00000
     65      -9.2873      1.00000
     66      -8.9688      1.00000
     67      -8.9296      1.00000
     68      -8.8789      1.00000
     69      -8.7473      1.00000
     70      -8.5603      1.00000
     71      -8.4830      1.00000
     72      -8.4001      1.00000
     73      -8.3603      1.00000
     74      -8.2857      1.00000
     75      -8.2400      1.00000
     76      -8.2249      1.00000
     77      -8.2098      1.00000
     78      -8.1937      1.00000
     79      -7.9943      1.00000
     80      -7.7796      1.00000
     81      -7.4136      1.00000
     82      -7.3186      1.00000
     83      -7.2393      1.00000
     84      -7.1403      1.00000
     85      -7.0953      1.00000
     86      -6.9561      1.00000
     87      -6.9088      1.00000
     88      -6.5851      1.00000
     89      -6.5573      1.00000
     90      -6.4340      1.00000
     91      -6.2476      1.00000
     92      -5.9033      1.00000
     93      -5.8226      1.00000
     94      -5.6749      1.00000
     95      -5.5838      1.00000
     96      -5.2948      1.00000
     97      -5.2599      1.00000
     98      -5.1841      1.00000
     99      -5.1840      1.00000
    100      -5.1604      1.00000
    101      -4.5220      1.00000
    102      -4.4552      1.00000
    103      -4.3977      1.00000
    104      -4.0762      1.00000
    105      -3.9276      1.00000
    106      -3.5174      1.00000
    107      -2.8161      0.00000
    108      -1.8054      0.00000
    109      -1.7931      0.00000
    110      -1.0781      0.00000
    111      -1.0107      0.00000
    112      -0.9267      0.00000
    113      -0.6552      0.00000
    114      -0.6057      0.00000
    115      -0.5704      0.00000
    116      -0.5281      0.00000
    117       0.1596      0.00000
    118       0.2627      0.00000
    119       0.7111      0.00000
    120       0.9747      0.00000
    121       1.0950      0.00000
    122       1.2566      0.00000
    123       1.4260      0.00000
    124       1.5345      0.00000
    125       1.6022      0.00000
    126       1.6300      0.00000
    127       1.6491      0.00000
    128       1.8463      0.00000
    129       1.9380      0.00000
    130       2.1131      0.00000
    131       2.2102      0.00000
    132       2.3433      0.00000
    133       2.3736      0.00000
    134       2.4726      0.00000
    135       2.6040      0.00000
    136       2.6629      0.00000
    137       2.7405      0.00000
    138       2.7482      0.00000
    139       2.8539      0.00000
    140       2.9616      0.00000
    141       3.0533      0.00000
    142       3.0739      0.00000
    143       3.1935      0.00000
    144       3.2896      0.00000
    145       3.3362      0.00000
    146       3.3455      0.00000
    147       3.4766      0.00000
    148       3.5312      0.00000
    149       3.5638      0.00000
    150       3.6023      0.00000
    151       3.6191      0.00000
    152       3.6938      0.00000
    153       3.7360      0.00000
    154       3.7746      0.00000
    155       3.7830      0.00000
    156       3.8541      0.00000
    157       3.9307      0.00000
    158       4.0146      0.00000
    159       4.0382      0.00000
    160       4.2845      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0448   -6.8606    2.8569   -0.4770   -0.0180   17.1419    0.0974   -0.0750    0.1200   -0.2124
x    -3.1504   -0.0333   -0.0584    0.0253    0.0330   -3.0236    0.0206   -0.0018   -0.0001    0.0000
x    -0.0932   -0.0010    0.0020   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    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   -0.0034    0.0000    0.0010    0.0005    0.0034   -0.0984   -0.0409    0.0694    0.0111
y     0.0429   -3.2491   -0.0989    0.2020   -2.4427   -0.6648
z   204.0448    1.9877    0.0138   -0.0673    0.0182    0.0776   -0.0027   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0615    0.0082    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8198
z    -0.5090    0.0402    0.0745    0.1443   -0.0978   -0.0018
 total charge-density along one line
x   212.0000   -9.6879    4.7913   -1.2799   -0.2534   19.0817   -1.1256    1.0513   -0.6833    0.2216
x    -2.7488   -0.0175   -0.0410    0.0179    0.0339   -2.3072    0.0198    0.0019   -0.0030   -0.0008
x    -0.0822    0.0013   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6879    4.7913   -1.2799   -0.2534   19.0817   -1.1256    1.0513   -0.6833    0.2216
y    -2.7488   -0.0175   -0.0410    0.0179    0.0339   -2.3072    0.0198    0.0019   -0.0030   -0.0008
y    -0.0822    0.0013   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6777  189.4283 -169.4362  151.1857 -136.5197  123.8035 -110.3301   94.7261  -77.7585
z    61.4867  -47.7916   37.3921  -29.8063   23.9889  -19.0504   14.6155  -10.7423    7.6210   -5.3191
z     3.7152   -2.5864    1.7343   -1.0515    0.5105   -0.1139   -0.1449    0.2913   -0.3584    0.3751
z    -0.3626    0.3371   -0.3110    0.2901   -0.2723    0.2505   -0.2190    0.1787   -0.1369    0.1023
z    -0.0795    0.0671   -0.0595    0.0518   -0.0421    0.0320   -0.0237    0.0184   -0.0157    0.0141
z    -0.0126    0.0108   -0.0088    0.0069   -0.0052    0.0039   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.201   0.000   0.103   0.000   0.045   0.233   0.000  -0.012
  0.000 -11.300   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.233   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.201   0.000   0.103   0.000   0.045   0.233   0.000  -0.012
  0.000 -11.300   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.233   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.195   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.267   0.000   0.297   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.069   0.037   0.000  -0.053   0.000   0.000
  0.279   0.000  -0.267   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.110   0.321  -0.103   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.297   0.000   0.182  -0.122   0.000   0.428   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.170   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.195   0.000   0.158   0.000   0.063  -0.110   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.069   0.321   0.000   0.148   0.000  -0.178   1.140  -0.353   0.000  -0.139   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.103   0.000  -0.138   0.000   0.061  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.175  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.139   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.175   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.007   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.783
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.644
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.784   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.776   0.000   2.640
 17        0.849   1.732   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.768   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.864   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.864   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.768   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.784   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.581
 42        0.865   1.776   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.644
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.792  89.407   7.854 142.054
 


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


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


    CHARGE:  VPU time  113.98: CPU time   57.62
    FORLOC:  VPU time    1.24: CPU time    1.24
    FORNL :  VPU time  443.19: CPU time  222.46
    STRESS:  VPU time 1332.01: CPU time  670.19
    FORCOR:  VPU time    8.62: CPU time    8.62
    FORHAR:  VPU time    2.27: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.17
 d Force =-0.2513223E-05[-0.327E-05,-0.176E-05]  d Energy = 0.5687834E-06-0.308E-05
 d Force = 0.7607612E-02[ 0.761E-02, 0.761E-02]  d Ewald  =-0.1142947E+00 0.122E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648665 eV

  energy  without entropy=     -469.648665  energy(sigma->0) =     -469.648665
 

  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    40937.03  40982.60 -47643.00     39.47      0.00      0.00
  Hartree  40395.34  40420.10 -39643.86     21.45      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.30      0.00      0.00
  Local   -83623.22 -83691.00  84599.50    -58.69      0.00      0.00
  n-local   -214.74   -206.83   -206.59      5.96      0.00      0.00
  augment     21.81     19.28     20.59     -2.20      0.00      0.00
  Kinetic   3165.49   3163.62   3585.98     -8.07      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.44     -0.36     -0.42      0.06      0.00      0.00
  in kB       -0.27     -0.22     -0.25      0.04      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342027293 -0.001612772  0.000000000     0.081030081  0.046796927  0.000000000
    -6.172416987 10.687698614  0.000000000     0.000012227  0.093572574  0.000000000
     0.000000000  0.000000000 20.000785054     0.000000000  0.000000000  0.049998037

  length of vectors
    12.342027399 12.342027108 20.000785054     0.093572573  0.093572575  0.049998037


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.847E-05 -.311E-04 -.110E+04   0.446E-05 -.262E-04 0.110E+04   0.339E-20 -.169E-20 0.368E+01   0.353E-08 -.193E-08 -.148E-02
   -.268E+02 -.463E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.197E+00   -.756E-04 -.133E-03 -.152E-03
   0.268E+02 0.463E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.197E+00   0.756E-04 0.133E-03 -.152E-03
   -.208E+01 0.120E+01 0.308E+02   0.202E+01 -.117E+01 -.308E+02   0.526E-01 -.304E-01 0.659E-02   -.399E-03 0.227E-03 -.279E-04
   0.657E+01 0.657E+01 0.343E+02   -.653E+01 -.656E+01 -.343E+02   -.319E-01 -.135E-01 -.427E-01   -.659E-03 0.608E-03 -.254E-04
   0.118E+02 0.585E+01 0.251E+02   -.117E+02 -.587E+01 -.250E+02   -.550E-01 0.189E-01 -.119E+00   -.629E-03 0.322E-04 -.105E-03
   0.432E+01 -.110E+01 0.209E+02   -.432E+01 0.111E+01 -.209E+02   -.957E-03 -.366E-02 0.167E-01   -.507E-03 0.131E-03 -.486E-04
   -.285E+01 -.259E+01 0.220E+02   0.285E+01 0.257E+01 -.221E+02   -.316E-02 0.174E-01 0.194E-01   -.370E-03 0.217E-03 -.180E-03
   0.815E+00 0.376E+01 0.220E+02   -.798E+00 -.376E+01 -.221E+02   -.167E-01 -.597E-02 0.194E-01   -.378E-03 0.207E-03 -.186E-03
   0.290E+01 0.187E+02 0.369E+02   -.293E+01 -.186E+02 -.368E+02   0.339E-01 -.220E-01 -.228E-01   -.547E-03 -.691E-04 -.741E-04
   0.204E+02 0.223E+02 0.461E+02   -.204E+02 -.225E+02 -.458E+02   0.196E-02 0.115E+00 -.325E+00   -.251E-03 0.512E-03 0.335E-03
   0.274E+02 -.584E+01 0.229E+02   -.275E+02 0.590E+01 -.229E+02   0.904E-01 -.600E-01 0.733E-02   -.572E-03 0.361E-03 -.168E-03
   0.972E+01 -.561E+01 0.157E+02   -.966E+01 0.557E+01 -.158E+02   -.560E-01 0.324E-01 0.455E-01   -.708E-03 0.403E-03 -.169E-03
   0.311E+01 -.319E+01 0.209E+02   -.312E+01 0.319E+01 -.209E+02   0.269E-02 0.266E-02 0.167E-01   -.369E-03 0.369E-03 -.612E-04
   -.693E+01 0.128E+02 0.240E+02   0.690E+01 -.128E+02 -.240E+02   0.232E-01 -.369E-02 0.180E-01   -.130E-03 0.150E-03 -.125E-03
   -.134E+02 0.311E+02 0.321E+02   0.133E+02 -.315E+02 -.323E+02   0.110E+00 0.439E+00 0.278E+00   -.722E-03 0.201E-03 0.497E-03
   0.341E+02 -.197E+02 0.944E+01   -.353E+02 0.204E+02 -.118E+02   0.114E+01 -.659E+00 0.233E+01   -.609E-03 0.349E-03 0.372E-03
   0.188E+02 -.208E+02 0.229E+02   -.189E+02 0.209E+02 -.229E+02   0.971E-01 -.483E-01 0.733E-02   -.601E-03 0.308E-03 -.175E-03
   0.809E+00 -.131E+02 0.251E+02   -.767E+00 0.131E+02 -.250E+02   -.438E-01 0.382E-01 -.119E+00   -.340E-03 0.527E-03 -.114E-03
   -.403E+01 0.102E+01 0.174E+02   0.404E+01 -.104E+01 -.173E+02   -.512E-02 0.178E-01 -.830E-01   -.319E-03 0.326E-03 -.224E-03
   -.182E+02 0.105E+02 0.129E+02   0.182E+02 -.105E+02 -.126E+02   0.650E-02 -.375E-02 -.249E+00   -.474E-03 0.277E-03 -.242E-03
   -.336E+02 -.388E+01 0.321E+02   0.339E+02 0.419E+01 -.323E+02   -.325E+00 -.314E+00 0.278E+00   -.532E-03 0.525E-03 0.502E-03
   -.913E+01 -.289E+02 0.461E+02   0.923E+01 0.289E+02 -.458E+02   -.983E-01 -.590E-01 -.325E+00   -.566E-03 -.430E-04 0.332E-03
   -.241E+01 -.897E+01 0.343E+02   0.242E+01 0.894E+01 -.343E+02   -.431E-02 0.344E-01 -.427E-01   -.855E-03 0.265E-03 -.266E-04
   0.120E+01 -.691E+00 0.238E+02   -.118E+01 0.682E+00 -.238E+02   -.167E-01 0.962E-02 -.623E-01   -.655E-03 0.380E-03 -.153E-04
   -.290E+01 0.298E+01 0.174E+02   0.292E+01 -.297E+01 -.173E+02   -.180E-01 -.447E-02 -.830E-01   -.440E-03 0.117E-03 -.217E-03
   -.146E+02 -.420E+00 0.240E+02   0.146E+02 0.439E+00 -.240E+02   0.148E-01 -.183E-01 0.180E-01   -.193E-03 0.365E-04 -.113E-03
   -.147E+02 -.118E+02 0.369E+02   0.147E+02 0.119E+02 -.368E+02   0.360E-01 -.183E-01 -.228E-01   -.212E-03 0.504E-03 -.695E-04
   0.241E+01 0.897E+01 0.343E+02   -.242E+01 -.894E+01 -.343E+02   0.431E-02 -.344E-01 -.427E-01   0.855E-03 -.265E-03 -.266E-04
   0.147E+02 0.118E+02 0.369E+02   -.147E+02 -.119E+02 -.368E+02   -.360E-01 0.183E-01 -.228E-01   0.212E-03 -.504E-03 -.695E-04
   0.146E+02 0.419E+00 0.240E+02   -.146E+02 -.439E+00 -.240E+02   -.148E-01 0.183E-01 0.180E-01   0.193E-03 -.365E-04 -.113E-03
   0.290E+01 -.298E+01 0.174E+02   -.292E+01 0.297E+01 -.173E+02   0.180E-01 0.447E-02 -.830E-01   0.440E-03 -.117E-03 -.217E-03
   -.120E+01 0.691E+00 0.238E+02   0.118E+01 -.682E+00 -.238E+02   0.167E-01 -.962E-02 -.623E-01   0.655E-03 -.380E-03 -.153E-04
   -.809E+00 0.131E+02 0.251E+02   0.767E+00 -.131E+02 -.250E+02   0.438E-01 -.382E-01 -.119E+00   0.340E-03 -.527E-03 -.114E-03
   0.913E+01 0.289E+02 0.461E+02   -.923E+01 -.289E+02 -.458E+02   0.983E-01 0.590E-01 -.325E+00   0.566E-03 0.429E-04 0.332E-03
   0.336E+02 0.388E+01 0.321E+02   -.339E+02 -.419E+01 -.323E+02   0.325E+00 0.314E+00 0.278E+00   0.532E-03 -.525E-03 0.502E-03
   0.182E+02 -.105E+02 0.129E+02   -.182E+02 0.105E+02 -.126E+02   -.650E-02 0.375E-02 -.249E+00   0.474E-03 -.277E-03 -.242E-03
   0.403E+01 -.102E+01 0.174E+02   -.404E+01 0.104E+01 -.173E+02   0.512E-02 -.178E-01 -.830E-01   0.319E-03 -.326E-03 -.224E-03
   -.311E+01 0.319E+01 0.209E+02   0.312E+01 -.319E+01 -.209E+02   -.269E-02 -.266E-02 0.167E-01   0.369E-03 -.369E-03 -.612E-04
   -.188E+02 0.208E+02 0.229E+02   0.189E+02 -.209E+02 -.229E+02   -.971E-01 0.483E-01 0.733E-02   0.601E-03 -.308E-03 -.175E-03
   -.341E+02 0.197E+02 0.944E+01   0.353E+02 -.204E+02 -.118E+02   -.114E+01 0.659E+00 0.233E+01   0.609E-03 -.349E-03 0.372E-03
   0.134E+02 -.311E+02 0.321E+02   -.133E+02 0.315E+02 -.323E+02   -.110E+00 -.439E+00 0.278E+00   0.722E-03 -.201E-03 0.497E-03
   0.693E+01 -.128E+02 0.240E+02   -.690E+01 0.128E+02 -.240E+02   -.232E-01 0.369E-02 0.180E-01   0.130E-03 -.150E-03 -.125E-03
   -.815E+00 -.376E+01 0.220E+02   0.798E+00 0.376E+01 -.221E+02   0.167E-01 0.597E-02 0.194E-01   0.378E-03 -.207E-03 -.186E-03
   -.972E+01 0.561E+01 0.157E+02   0.966E+01 -.557E+01 -.158E+02   0.560E-01 -.324E-01 0.455E-01   0.708E-03 -.403E-03 -.169E-03
   -.274E+02 0.584E+01 0.229E+02   0.275E+02 -.590E+01 -.229E+02   -.904E-01 0.600E-01 0.733E-02   0.572E-03 -.361E-03 -.168E-03
   -.204E+02 -.223E+02 0.461E+02   0.204E+02 0.225E+02 -.458E+02   -.196E-02 -.115E+00 -.325E+00   0.251E-03 -.512E-03 0.335E-03
   -.290E+01 -.187E+02 0.369E+02   0.293E+01 0.186E+02 -.368E+02   -.339E-01 0.220E-01 -.228E-01   0.547E-03 0.691E-04 -.741E-04
   0.208E+01 -.120E+01 0.308E+02   -.202E+01 0.117E+01 -.308E+02   -.526E-01 0.304E-01 0.659E-02   0.399E-03 -.227E-03 -.279E-04
   0.285E+01 0.259E+01 0.220E+02   -.285E+01 -.257E+01 -.221E+02   0.316E-02 -.174E-01 0.194E-01   0.370E-03 -.217E-03 -.180E-03
   -.432E+01 0.110E+01 0.209E+02   0.432E+01 -.111E+01 -.209E+02   0.957E-03 0.366E-02 0.167E-01   0.507E-03 -.131E-03 -.486E-04
   -.118E+02 -.585E+01 0.251E+02   0.117E+02 0.587E+01 -.250E+02   0.550E-01 -.189E-01 -.119E+00   0.629E-03 -.322E-04 -.105E-03
   -.657E+01 -.657E+01 0.343E+02   0.653E+01 0.656E+01 -.343E+02   0.319E-01 0.135E-01 -.427E-01   0.659E-03 -.608E-03 -.254E-04
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.338E-03 -.639E+01   0.382E-13 -.194E-12 -.156E-12   0.000E+00 -.114E-15 0.642E+01   0.297E-07 -.182E-07 -.244E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85051      6.05566     12.41238         0.000000      0.000000     -0.002692
      2.67792      7.48878     12.52510         0.000877      0.001519     -0.014193
      1.02310      4.62255     12.52510        -0.000877     -0.001519     -0.014193
     12.34157     -0.00135      9.88019         0.001100     -0.000635      0.000385
     -1.23338      2.13850      9.88551         0.002887     -0.003242     -0.000383
     -2.46922      4.27610      9.93408        -0.003023      0.000506     -0.001072
      8.63810      6.41082      9.94342        -0.002292      0.003735     -0.000319
     -4.93627      8.54965      9.91987        -0.000090      0.000292     -0.002610
     -3.70274     10.68619      9.91987        -0.000298     -0.000068     -0.002610
      1.23522      2.14010      9.92572         0.001317      0.004116     -0.000904
     -0.00376      4.27860     10.00861        -0.004605     -0.004692      0.004190
     -1.23880      6.41025     10.03614        -0.003067      0.000936      0.000445
     -2.46661      8.54815      9.96845         0.003091     -0.001785     -0.001870
      4.93674     -0.00014      9.94342        -0.004380      0.000117     -0.000319
      3.70242      2.13368      9.96234        -0.000014     -0.002222     -0.001323
      2.47195      4.25339     10.12957         0.004299      0.000575      0.011191
      1.21383      6.42325     10.35724         0.001791     -0.001034      0.007736
     -0.00123      8.55379     10.03614        -0.002344      0.002188      0.000445
      1.23179     10.68644      9.93408        -0.001949      0.002365     -0.001072
      6.17042      2.13592      9.94426        -0.002674     -0.002283     -0.003384
      4.93882      4.27263     10.02878         0.003479     -0.002009     -0.002679
      3.72204      6.41862     10.12957         0.001652     -0.004011      0.011191
      2.46235      8.55004     10.00861         0.001761      0.006334      0.004190
      3.70093     10.68498      9.88551         0.004251     -0.000879     -0.000383
      8.63867      2.13652      9.90260        -0.000668      0.000386      0.000303
      7.40506      4.27438      9.94426         0.000640      0.003457     -0.003384
      6.17300      6.41286      9.96234         0.001918      0.001123     -0.001323
      4.93384      8.54631      9.92572        -0.002906     -0.003199     -0.000904
      0.00009      1.42635      9.88551        -0.004251      0.000879     -0.000383
     -1.23282      3.56502      9.92572         0.002906      0.003199     -0.000904
     -2.47199      5.69847      9.96234        -0.001918     -0.001123     -0.001323
     -3.70404      7.83695      9.94426        -0.000640     -0.003457     -0.003384
     -4.93765      9.97480      9.90260         0.000668     -0.000386      0.000303
      2.46923      1.42489      9.93408         0.001949     -0.002365     -0.001072
      1.23867      3.56129     10.00861        -0.001761     -0.006334      0.004190
     -0.02103      5.69271     10.12957        -0.001652      0.004011      0.011191
     -1.23781      7.83870     10.02878        -0.003479      0.002009     -0.002679
     -2.46940      9.97540      9.94426         0.002674      0.002283     -0.003384
      4.93670      1.42377      9.94342         0.004380     -0.000117     -0.000319
      3.70224      3.55754     10.03614         0.002344     -0.002188      0.000445
      2.48719      5.68808     10.35724        -0.001791      0.001034      0.007736
      1.22907      7.85794     10.12957        -0.004299     -0.000575      0.011191
     -0.00140      9.97765      9.96234         0.000014      0.002222     -0.001323
      7.40376      1.42514      9.91987         0.000298      0.000068     -0.002610
      6.16763      3.56318      9.96845        -0.003091      0.001785     -0.001870
      4.93981      5.70108     10.03614         0.003067     -0.000936      0.000445
      3.70478      7.83273     10.00861         0.004605      0.004692      0.004190
      2.46580      9.97123      9.92572        -0.001317     -0.004116     -0.000904
      9.87389      1.42337      9.88019        -0.001100      0.000635      0.000385
      8.63729      3.56168      9.91987         0.000090     -0.000292     -0.002610
      7.40494      5.69889      9.94342         0.002292     -0.003735     -0.000319
      6.17024      7.83523      9.93408         0.003023     -0.000506     -0.001072
      4.93440      9.97283      9.88551        -0.002887      0.003242     -0.000383
 -----------------------------------------------------------------------------------
    total drift:                               -0.001838      0.000338      0.026138


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




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


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.34
    ORTHCH:  VPU time  183.62: CPU time   92.01
     LOOP+:  VPU time 5013.26: CPU time 2577.32


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


    POTLOK:  VPU time    9.13: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1403.28: CPU time  724.54
 BZINTS: Fermi energy: -3.249484;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.01: CPU time   58.67
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1529.00: CPU time  792.80

 eigenvalue-minimisations  :  4112
 total energy-change (2. order) :-0.4696487E+03  (-0.9302211E-06)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9551960 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.99786E-04    rms(broyden)= 0.99721E-04
  rms(prec ) = 0.10883E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34276.61179302
  -1/2 Hartree   DENC   =    -41171.52159662
  -V(xc)+E(xc)   XCENC  =       726.33800078
  PAW double counting   =      4067.93488841    -4106.58732475
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.86427982
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64866537 eV

  energy without entropy =     -469.64866537  energy(sigma->0) =     -469.64866537


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




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


    POTLOK:  VPU time    9.19: CPU time    9.19
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1420.30: CPU time  734.40
 BZINTS: Fermi energy: -3.248931;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1429.89: CPU time  743.97

 eigenvalue-minimisations  :  4192
 total energy-change (2. order) :-0.3014993E-06  (-0.8041969E-07)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9551960 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34276.61179302
  -1/2 Hartree   DENC   =    -41171.52297460
  -V(xc)+E(xc)   XCENC  =       726.33799323
  PAW double counting   =      4067.93469215    -4106.58711828
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.86290479
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64866567 eV

  energy without entropy =     -469.64866567  energy(sigma->0) =     -469.64866567


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




 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 -59.0089       2 -37.4830       3 -37.4830       4 -58.3182       5 -58.2928
       6 -58.3053       7 -58.3031       8 -58.3117       9 -58.3117      10 -58.2861
      11 -58.3240      12 -58.2807      13 -58.3231      14 -58.3031      15 -58.3015
      16 -58.3973      17 -58.9691      18 -58.2807      19 -58.3053      20 -58.3073
      21 -58.2938      22 -58.3973      23 -58.3240      24 -58.2928      25 -58.3284
      26 -58.3073      27 -58.3015      28 -58.2862      29 -58.2927      30 -58.2860
      31 -58.3014      32 -58.3072      33 -58.3283      34 -58.3052      35 -58.3238
      36 -58.3972      37 -58.2937      38 -58.3072      39 -58.3030      40 -58.2806
      41 -58.9690      42 -58.3972      43 -58.3014      44 -58.3116      45 -58.3230
      46 -58.2806      47 -58.3239      48 -58.2861      49 -58.3181      50 -58.3116
      51 -58.3030      52 -58.3052      53 -58.2927
 
 
 
 E-fermi :  -3.2489     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     -22.3723      1.00000
      2     -21.5041      1.00000
      3     -21.4311      1.00000
      4     -21.4299      1.00000
      5     -21.4180      1.00000
      6     -21.4079      1.00000
      7     -21.4043      1.00000
      8     -19.6652      1.00000
      9     -19.5974      1.00000
     10     -19.5924      1.00000
     11     -19.5797      1.00000
     12     -19.5681      1.00000
     13     -19.5652      1.00000
     14     -18.7647      1.00000
     15     -18.7038      1.00000
     16     -18.6961      1.00000
     17     -18.6825      1.00000
     18     -18.6741      1.00000
     19     -18.6702      1.00000
     20     -16.6304      1.00000
     21     -16.5493      1.00000
     22     -16.5443      1.00000
     23     -16.5345      1.00000
     24     -16.5261      1.00000
     25     -16.5226      1.00000
     26     -15.6076      1.00000
     27     -15.5645      1.00000
     28     -15.5240      1.00000
     29     -15.5220      1.00000
     30     -15.5186      1.00000
     31     -15.5157      1.00000
     32     -14.2560      1.00000
     33     -14.2209      1.00000
     34     -14.1953      1.00000
     35     -14.1937      1.00000
     36     -14.1748      1.00000
     37     -14.1714      1.00000
     38     -11.9840      1.00000
     39     -11.8716      1.00000
     40     -11.8243      1.00000
     41     -11.8092      1.00000
     42     -11.8089      1.00000
     43     -11.8023      1.00000
     44     -11.7298      1.00000
     45     -11.7210      1.00000
     46     -11.7070      1.00000
     47     -11.6979      1.00000
     48     -11.6872      1.00000
     49     -11.6830      1.00000
     50     -10.6439      1.00000
     51     -10.3749      1.00000
     52     -10.3569      1.00000
     53     -10.3375      1.00000
     54     -10.3279      1.00000
     55     -10.3198      1.00000
     56     -10.2952      1.00000
     57      -9.7911      1.00000
     58      -9.4112      1.00000
     59      -9.3903      1.00000
     60      -9.3527      1.00000
     61      -9.3419      1.00000
     62      -9.3330      1.00000
     63      -9.1758      1.00000
     64      -9.0772      1.00000
     65      -9.0749      1.00000
     66      -9.0644      1.00000
     67      -9.0612      1.00000
     68      -9.0325      1.00000
     69      -9.0265      1.00000
     70      -9.0257      1.00000
     71      -9.0156      1.00000
     72      -9.0053      1.00000
     73      -8.9935      1.00000
     74      -8.9726      1.00000
     75      -7.9875      1.00000
     76      -7.7009      1.00000
     77      -7.5053      1.00000
     78      -7.4852      1.00000
     79      -7.4590      1.00000
     80      -7.4127      1.00000
     81      -7.3976      1.00000
     82      -7.3784      1.00000
     83      -7.3470      1.00000
     84      -7.2236      1.00000
     85      -7.1819      1.00000
     86      -7.1771      1.00000
     87      -7.1738      1.00000
     88      -6.6145      1.00000
     89      -6.5769      1.00000
     90      -6.3654      1.00000
     91      -6.3566      1.00000
     92      -6.3171      1.00000
     93      -6.2938      1.00000
     94      -5.9449      1.00000
     95      -5.8920      1.00000
     96      -5.3607      1.00000
     97      -5.1928      1.00000
     98      -4.8395      1.00000
     99      -4.7155      1.00000
    100      -4.3632      1.00000
    101      -4.3572      1.00000
    102      -4.3463      1.00000
    103      -4.3346      1.00000
    104      -4.1687      1.00000
    105      -3.9334      1.00000
    106      -3.5928      1.00000
    107      -2.9220      0.00000
    108      -1.5540      0.00000
    109      -1.5500      0.00000
    110      -1.5374      0.00000
    111      -1.5363      0.00000
    112      -1.4798      0.00000
    113      -1.4633      0.00000
    114       0.0759      0.00000
    115       0.2360      0.00000
    116       0.2806      0.00000
    117       0.3016      0.00000
    118       0.3070      0.00000
    119       0.3743      0.00000
    120       0.6146      0.00000
    121       1.2673      0.00000
    122       1.3698      0.00000
    123       1.7035      0.00000
    124       1.7564      0.00000
    125       1.7844      0.00000
    126       1.7894      0.00000
    127       1.8528      0.00000
    128       1.8738      0.00000
    129       2.0002      0.00000
    130       2.0053      0.00000
    131       2.0160      0.00000
    132       2.0218      0.00000
    133       2.0234      0.00000
    134       2.0865      0.00000
    135       2.3158      0.00000
    136       2.4633      0.00000
    137       2.5773      0.00000
    138       2.6011      0.00000
    139       2.6362      0.00000
    140       2.7386      0.00000
    141       2.8506      0.00000
    142       3.0384      0.00000
    143       3.0533      0.00000
    144       3.0678      0.00000
    145       3.0859      0.00000
    146       3.0973      0.00000
    147       3.1076      0.00000
    148       3.4503      0.00000
    149       3.5443      0.00000
    150       3.5891      0.00000
    151       3.9208      0.00000
    152       3.9326      0.00000
    153       3.9508      0.00000
    154       3.9597      0.00000
    155       3.9807      0.00000
    156       4.0543      0.00000
    157       4.1601      0.00000
    158       4.2112      0.00000
    159       4.2567      0.00000
    160       4.2682      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3348      1.00000
      2     -21.7722      1.00000
      3     -21.5976      1.00000
      4     -21.5674      1.00000
      5     -21.2224      1.00000
      6     -21.1946      1.00000
      7     -21.0207      1.00000
      8     -20.1197      1.00000
      9     -20.0876      1.00000
     10     -19.5722      1.00000
     11     -19.5453      1.00000
     12     -19.3783      1.00000
     13     -19.0501      1.00000
     14     -19.0194      1.00000
     15     -19.0055      1.00000
     16     -18.9948      1.00000
     17     -18.3282      1.00000
     18     -18.3043      1.00000
     19     -17.9815      1.00000
     20     -17.0354      1.00000
     21     -16.9842      1.00000
     22     -16.9176      1.00000
     23     -16.8988      1.00000
     24     -16.4374      1.00000
     25     -16.4153      1.00000
     26     -15.5902      1.00000
     27     -15.5575      1.00000
     28     -15.2357      1.00000
     29     -15.1957      1.00000
     30     -15.1322      1.00000
     31     -15.0577      1.00000
     32     -15.0295      1.00000
     33     -14.6696      1.00000
     34     -14.6506      1.00000
     35     -13.7064      1.00000
     36     -13.6804      1.00000
     37     -13.2018      1.00000
     38     -12.5978      1.00000
     39     -12.5414      1.00000
     40     -12.4197      1.00000
     41     -12.4035      1.00000
     42     -12.1104      1.00000
     43     -12.0686      1.00000
     44     -11.6967      1.00000
     45     -11.6476      1.00000
     46     -11.2343      1.00000
     47     -11.1899      1.00000
     48     -11.0080      1.00000
     49     -10.9715      1.00000
     50     -10.9099      1.00000
     51     -10.8662      1.00000
     52     -10.5299      1.00000
     53     -10.1284      1.00000
     54     -10.1221      1.00000
     55     -10.0808      1.00000
     56      -9.9189      1.00000
     57      -9.7073      1.00000
     58      -9.6700      1.00000
     59      -9.6121      1.00000
     60      -9.5825      1.00000
     61      -9.5436      1.00000
     62      -9.4795      1.00000
     63      -9.2960      1.00000
     64      -9.2768      1.00000
     65      -9.2294      1.00000
     66      -9.1754      1.00000
     67      -9.1104      1.00000
     68      -9.0756      1.00000
     69      -9.0649      1.00000
     70      -8.9051      1.00000
     71      -8.8462      1.00000
     72      -8.6034      1.00000
     73      -8.5658      1.00000
     74      -8.1227      1.00000
     75      -8.0446      1.00000
     76      -7.9500      1.00000
     77      -7.8304      1.00000
     78      -7.7919      1.00000
     79      -7.7289      1.00000
     80      -7.6930      1.00000
     81      -7.3486      1.00000
     82      -7.3339      1.00000
     83      -7.3267      1.00000
     84      -7.2701      1.00000
     85      -7.0657      1.00000
     86      -6.9821      1.00000
     87      -6.8253      1.00000
     88      -6.7506      1.00000
     89      -6.6427      1.00000
     90      -6.5644      1.00000
     91      -6.1382      1.00000
     92      -6.1043      1.00000
     93      -6.0934      1.00000
     94      -5.9663      1.00000
     95      -5.7347      1.00000
     96      -5.3969      1.00000
     97      -5.2076      1.00000
     98      -4.9397      1.00000
     99      -4.7989      1.00000
    100      -4.6380      1.00000
    101      -4.5373      1.00000
    102      -4.4852      1.00000
    103      -4.3643      1.00000
    104      -4.0451      1.00000
    105      -3.8148      1.00000
    106      -3.5700      1.00000
    107      -2.9441      0.00000
    108      -1.7190      0.00000
    109      -1.6761      0.00000
    110      -1.2935      0.00000
    111      -1.2725      0.00000
    112      -1.2458      0.00000
    113      -1.2132      0.00000
    114      -0.5604      0.00000
    115      -0.1917      0.00000
    116      -0.1702      0.00000
    117       0.6293      0.00000
    118       0.6773      0.00000
    119       0.7259      0.00000
    120       0.9857      0.00000
    121       1.1166      0.00000
    122       1.2409      0.00000
    123       1.3416      0.00000
    124       1.4468      0.00000
    125       1.4967      0.00000
    126       1.7427      0.00000
    127       1.7649      0.00000
    128       1.8001      0.00000
    129       1.8566      0.00000
    130       1.9507      0.00000
    131       2.1718      0.00000
    132       2.2122      0.00000
    133       2.2639      0.00000
    134       2.4298      0.00000
    135       2.5081      0.00000
    136       2.6165      0.00000
    137       2.6906      0.00000
    138       2.6973      0.00000
    139       2.7800      0.00000
    140       2.8045      0.00000
    141       2.8561      0.00000
    142       2.8610      0.00000
    143       2.9985      0.00000
    144       3.0653      0.00000
    145       3.2739      0.00000
    146       3.3627      0.00000
    147       3.3738      0.00000
    148       3.4468      0.00000
    149       3.5277      0.00000
    150       3.5860      0.00000
    151       3.6566      0.00000
    152       3.7272      0.00000
    153       3.7666      0.00000
    154       3.9331      0.00000
    155       3.9592      0.00000
    156       4.0427      0.00000
    157       4.0845      0.00000
    158       4.1653      0.00000
    159       4.2432      0.00000
    160       4.2716      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2231      1.00000
      2     -22.0316      1.00000
      3     -21.6720      1.00000
      4     -21.6423      1.00000
      5     -20.9284      1.00000
      6     -20.8976      1.00000
      7     -20.5679      1.00000
      8     -20.5334      1.00000
      9     -20.5244      1.00000
     10     -19.9917      1.00000
     11     -19.4665      1.00000
     12     -19.4374      1.00000
     13     -19.2746      1.00000
     14     -19.2546      1.00000
     15     -18.4061      1.00000
     16     -18.3683      1.00000
     17     -17.8954      1.00000
     18     -17.8656      1.00000
     19     -17.7177      1.00000
     20     -17.6831      1.00000
     21     -17.4080      1.00000
     22     -17.3837      1.00000
     23     -17.3053      1.00000
     24     -16.4329      1.00000
     25     -16.4126      1.00000
     26     -15.9179      1.00000
     27     -15.3893      1.00000
     28     -15.3597      1.00000
     29     -15.0730      1.00000
     30     -15.0459      1.00000
     31     -14.8379      1.00000
     32     -14.8038      1.00000
     33     -14.2533      1.00000
     34     -14.2160      1.00000
     35     -13.4116      1.00000
     36     -13.3623      1.00000
     37     -13.1603      1.00000
     38     -13.1309      1.00000
     39     -12.9366      1.00000
     40     -12.9269      1.00000
     41     -12.6029      1.00000
     42     -12.5706      1.00000
     43     -12.1696      1.00000
     44     -11.5638      1.00000
     45     -11.5034      1.00000
     46     -11.3011      1.00000
     47     -11.2501      1.00000
     48     -11.1211      1.00000
     49     -10.6819      1.00000
     50     -10.6328      1.00000
     51     -10.4481      1.00000
     52     -10.2878      1.00000
     53     -10.2751      1.00000
     54     -10.1606      1.00000
     55     -10.0841      1.00000
     56     -10.0707      1.00000
     57      -9.7889      1.00000
     58      -9.7392      1.00000
     59      -9.6950      1.00000
     60      -9.6742      1.00000
     61      -9.6599      1.00000
     62      -9.5981      1.00000
     63      -9.3382      1.00000
     64      -9.3209      1.00000
     65      -9.2875      1.00000
     66      -9.0298      1.00000
     67      -8.9328      1.00000
     68      -8.8421      1.00000
     69      -8.7614      1.00000
     70      -8.5919      1.00000
     71      -8.4959      1.00000
     72      -8.3700      1.00000
     73      -8.3634      1.00000
     74      -8.3038      1.00000
     75      -8.2443      1.00000
     76      -8.2425      1.00000
     77      -8.2239      1.00000
     78      -8.1964      1.00000
     79      -7.8737      1.00000
     80      -7.7449      1.00000
     81      -7.3704      1.00000
     82      -7.3158      1.00000
     83      -7.2986      1.00000
     84      -7.2070      1.00000
     85      -7.1802      1.00000
     86      -6.9498      1.00000
     87      -6.9313      1.00000
     88      -6.5931      1.00000
     89      -6.5392      1.00000
     90      -6.2653      1.00000
     91      -6.2011      1.00000
     92      -5.9821      1.00000
     93      -5.8153      1.00000
     94      -5.6692      1.00000
     95      -5.5143      1.00000
     96      -5.3310      1.00000
     97      -5.3055      1.00000
     98      -5.1926      1.00000
     99      -5.1901      1.00000
    100      -5.1081      1.00000
    101      -4.6897      1.00000
    102      -4.5492      1.00000
    103      -4.4508      1.00000
    104      -3.9150      1.00000
    105      -3.7077      1.00000
    106      -3.5358      1.00000
    107      -2.9664      0.00000
    108      -1.8176      0.00000
    109      -1.7624      0.00000
    110      -1.0862      0.00000
    111      -0.9718      0.00000
    112      -0.9419      0.00000
    113      -0.6478      0.00000
    114      -0.6055      0.00000
    115      -0.5693      0.00000
    116      -0.5314      0.00000
    117       0.1757      0.00000
    118       0.2566      0.00000
    119       0.7900      0.00000
    120       1.0066      0.00000
    121       1.1145      0.00000
    122       1.1681      0.00000
    123       1.3568      0.00000
    124       1.4806      0.00000
    125       1.5913      0.00000
    126       1.5957      0.00000
    127       1.6870      0.00000
    128       1.9105      0.00000
    129       1.9538      0.00000
    130       2.0301      0.00000
    131       2.1929      0.00000
    132       2.3435      0.00000
    133       2.3893      0.00000
    134       2.4132      0.00000
    135       2.6000      0.00000
    136       2.6866      0.00000
    137       2.7459      0.00000
    138       2.7837      0.00000
    139       2.8426      0.00000
    140       3.0071      0.00000
    141       3.0544      0.00000
    142       3.0874      0.00000
    143       3.1405      0.00000
    144       3.2618      0.00000
    145       3.3303      0.00000
    146       3.3944      0.00000
    147       3.4585      0.00000
    148       3.5431      0.00000
    149       3.5796      0.00000
    150       3.6040      0.00000
    151       3.6817      0.00000
    152       3.7072      0.00000
    153       3.7722      0.00000
    154       3.7892      0.00000
    155       3.7983      0.00000
    156       3.9411      0.00000
    157       3.9470      0.00000
    158       4.0385      0.00000
    159       4.1978      0.00000
    160       4.2668      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2601      1.00000
      2     -21.8889      1.00000
      3     -21.8757      1.00000
      4     -21.3271      1.00000
      5     -21.3154      1.00000
      6     -20.7716      1.00000
      7     -20.7563      1.00000
      8     -20.5790      1.00000
      9     -20.0306      1.00000
     10     -20.0278      1.00000
     11     -19.6719      1.00000
     12     -19.6577      1.00000
     13     -18.9490      1.00000
     14     -18.9488      1.00000
     15     -18.5936      1.00000
     16     -18.5932      1.00000
     17     -18.4185      1.00000
     18     -17.6432      1.00000
     19     -17.5879      1.00000
     20     -17.5658      1.00000
     21     -17.5604      1.00000
     22     -17.0742      1.00000
     23     -17.0729      1.00000
     24     -16.9206      1.00000
     25     -15.9540      1.00000
     26     -15.9046      1.00000
     27     -15.5486      1.00000
     28     -15.5314      1.00000
     29     -15.2688      1.00000
     30     -14.8177      1.00000
     31     -14.7947      1.00000
     32     -14.5415      1.00000
     33     -14.5104      1.00000
     34     -14.1322      1.00000
     35     -14.1279      1.00000
     36     -13.1050      1.00000
     37     -13.0421      1.00000
     38     -13.0179      1.00000
     39     -12.9875      1.00000
     40     -12.6762      1.00000
     41     -12.6744      1.00000
     42     -12.2887      1.00000
     43     -12.2817      1.00000
     44     -11.6531      1.00000
     45     -11.6002      1.00000
     46     -11.5401      1.00000
     47     -10.9410      1.00000
     48     -10.8917      1.00000
     49     -10.6373      1.00000
     50     -10.5970      1.00000
     51     -10.4754      1.00000
     52     -10.4648      1.00000
     53     -10.4062      1.00000
     54     -10.4034      1.00000
     55     -10.3150      1.00000
     56     -10.0400      1.00000
     57      -9.8760      1.00000
     58      -9.5858      1.00000
     59      -9.5212      1.00000
     60      -9.5027      1.00000
     61      -9.3790      1.00000
     62      -9.3713      1.00000
     63      -9.3410      1.00000
     64      -9.2944      1.00000
     65      -9.2423      1.00000
     66      -9.1702      1.00000
     67      -9.1270      1.00000
     68      -9.0833      1.00000
     69      -8.8454      1.00000
     70      -8.8250      1.00000
     71      -8.6814      1.00000
     72      -8.5745      1.00000
     73      -8.4196      1.00000
     74      -8.1995      1.00000
     75      -8.1528      1.00000
     76      -7.9734      1.00000
     77      -7.8833      1.00000
     78      -7.8201      1.00000
     79      -7.7932      1.00000
     80      -7.7664      1.00000
     81      -7.6761      1.00000
     82      -7.6208      1.00000
     83      -7.4098      1.00000
     84      -7.3509      1.00000
     85      -6.8997      1.00000
     86      -6.8918      1.00000
     87      -6.7306      1.00000
     88      -6.6473      1.00000
     89      -6.4090      1.00000
     90      -6.3308      1.00000
     91      -6.2893      1.00000
     92      -6.1837      1.00000
     93      -5.9729      1.00000
     94      -5.5815      1.00000
     95      -5.4780      1.00000
     96      -5.4117      1.00000
     97      -5.3708      1.00000
     98      -5.1940      1.00000
     99      -5.1072      1.00000
    100      -4.7531      1.00000
    101      -4.7035      1.00000
    102      -4.5693      1.00000
    103      -4.4191      1.00000
    104      -4.2016      1.00000
    105      -3.5536      1.00000
    106      -3.3956      1.00000
    107      -3.0493      0.00000
    108      -2.1031      0.00000
    109      -1.2456      0.00000
    110      -1.2043      0.00000
    111      -1.1759      0.00000
    112      -0.9330      0.00000
    113      -0.8336      0.00000
    114      -0.7844      0.00000
    115      -0.7021      0.00000
    116       0.1963      0.00000
    117       0.2017      0.00000
    118       0.3058      0.00000
    119       0.7684      0.00000
    120       0.8219      0.00000
    121       0.9128      0.00000
    122       1.1203      0.00000
    123       1.3281      0.00000
    124       1.5074      0.00000
    125       1.5831      0.00000
    126       1.8085      0.00000
    127       1.8349      0.00000
    128       1.8786      0.00000
    129       1.9682      0.00000
    130       1.9868      0.00000
    131       2.2538      0.00000
    132       2.4100      0.00000
    133       2.4188      0.00000
    134       2.4298      0.00000
    135       2.5596      0.00000
    136       2.5882      0.00000
    137       2.6303      0.00000
    138       2.7179      0.00000
    139       2.7367      0.00000
    140       2.9626      0.00000
    141       3.0575      0.00000
    142       3.1295      0.00000
    143       3.1952      0.00000
    144       3.2410      0.00000
    145       3.2452      0.00000
    146       3.3122      0.00000
    147       3.3392      0.00000
    148       3.5188      0.00000
    149       3.5222      0.00000
    150       3.6273      0.00000
    151       3.6974      0.00000
    152       3.7345      0.00000
    153       3.8042      0.00000
    154       3.9293      0.00000
    155       3.9879      0.00000
    156       3.9895      0.00000
    157       3.9983      0.00000
    158       4.0158      0.00000
    159       4.0365      0.00000
    160       4.1415      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1285      1.00000
      2     -22.0894      1.00000
      3     -21.9184      1.00000
      4     -21.3591      1.00000
      5     -21.0043      1.00000
      6     -20.9685      1.00000
      7     -20.4527      1.00000
      8     -20.4148      1.00000
      9     -20.2614      1.00000
     10     -20.2315      1.00000
     11     -19.9009      1.00000
     12     -19.8630      1.00000
     13     -18.8281      1.00000
     14     -18.7844      1.00000
     15     -18.3119      1.00000
     16     -18.2614      1.00000
     17     -18.1215      1.00000
     18     -18.0923      1.00000
     19     -17.7856      1.00000
     20     -17.7465      1.00000
     21     -17.2256      1.00000
     22     -17.1945      1.00000
     23     -17.1327      1.00000
     24     -17.0939      1.00000
     25     -16.0581      1.00000
     26     -15.8596      1.00000
     27     -15.8221      1.00000
     28     -15.7897      1.00000
     29     -15.2093      1.00000
     30     -14.5305      1.00000
     31     -14.4849      1.00000
     32     -14.2537      1.00000
     33     -13.9296      1.00000
     34     -13.9181      1.00000
     35     -13.7920      1.00000
     36     -13.7629      1.00000
     37     -13.5826      1.00000
     38     -13.5343      1.00000
     39     -13.3233      1.00000
     40     -12.5848      1.00000
     41     -12.1757      1.00000
     42     -12.1011      1.00000
     43     -12.0354      1.00000
     44     -11.9903      1.00000
     45     -11.6563      1.00000
     46     -11.6212      1.00000
     47     -11.1384      1.00000
     48     -11.0835      1.00000
     49     -10.7814      1.00000
     50     -10.7049      1.00000
     51     -10.4045      1.00000
     52     -10.1932      1.00000
     53     -10.1679      1.00000
     54     -10.1265      1.00000
     55      -9.9939      1.00000
     56      -9.9824      1.00000
     57      -9.9407      1.00000
     58      -9.7949      1.00000
     59      -9.7704      1.00000
     60      -9.7419      1.00000
     61      -9.7212      1.00000
     62      -9.4383      1.00000
     63      -9.3354      1.00000
     64      -9.0896      1.00000
     65      -9.0441      1.00000
     66      -9.0034      1.00000
     67      -8.8914      1.00000
     68      -8.8258      1.00000
     69      -8.7085      1.00000
     70      -8.6654      1.00000
     71      -8.5674      1.00000
     72      -8.5080      1.00000
     73      -8.4726      1.00000
     74      -8.4376      1.00000
     75      -8.3320      1.00000
     76      -8.1983      1.00000
     77      -8.0665      1.00000
     78      -7.9806      1.00000
     79      -7.9070      1.00000
     80      -7.8807      1.00000
     81      -7.6953      1.00000
     82      -7.5617      1.00000
     83      -7.4938      1.00000
     84      -6.9791      1.00000
     85      -6.9094      1.00000
     86      -6.8595      1.00000
     87      -6.7413      1.00000
     88      -6.5202      1.00000
     89      -6.4684      1.00000
     90      -6.3795      1.00000
     91      -6.1924      1.00000
     92      -5.9299      1.00000
     93      -5.7962      1.00000
     94      -5.7502      1.00000
     95      -5.5570      1.00000
     96      -5.3763      1.00000
     97      -5.2437      1.00000
     98      -5.1960      1.00000
     99      -5.1820      1.00000
    100      -5.1227      1.00000
    101      -4.8094      1.00000
    102      -4.5391      1.00000
    103      -4.4570      1.00000
    104      -4.2456      1.00000
    105      -3.5546      1.00000
    106      -3.2901      1.00000
    107      -2.9390      0.00000
    108      -2.3439      0.00000
    109      -1.1833      0.00000
    110      -1.1643      0.00000
    111      -1.1148      0.00000
    112      -1.0594      0.00000
    113      -0.5036      0.00000
    114      -0.4566      0.00000
    115      -0.2976      0.00000
    116      -0.2728      0.00000
    117       0.0002      0.00000
    118       0.0351      0.00000
    119       0.5319      0.00000
    120       0.6425      0.00000
    121       0.8845      0.00000
    122       0.9809      0.00000
    123       1.1895      0.00000
    124       1.5351      0.00000
    125       1.7644      0.00000
    126       1.7834      0.00000
    127       2.0103      0.00000
    128       2.1244      0.00000
    129       2.1350      0.00000
    130       2.1509      0.00000
    131       2.2633      0.00000
    132       2.3094      0.00000
    133       2.3630      0.00000
    134       2.4632      0.00000
    135       2.6699      0.00000
    136       2.7580      0.00000
    137       2.7988      0.00000
    138       2.8800      0.00000
    139       2.9654      0.00000
    140       3.0043      0.00000
    141       3.0601      0.00000
    142       3.1148      0.00000
    143       3.1699      0.00000
    144       3.2393      0.00000
    145       3.2678      0.00000
    146       3.2989      0.00000
    147       3.3299      0.00000
    148       3.3517      0.00000
    149       3.4061      0.00000
    150       3.5378      0.00000
    151       3.6214      0.00000
    152       3.6765      0.00000
    153       3.7017      0.00000
    154       3.7135      0.00000
    155       3.7330      0.00000
    156       3.7925      0.00000
    157       3.9638      0.00000
    158       4.0628      0.00000
    159       4.1395      0.00000
    160       4.2684      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2597      1.00000
      2     -21.9014      1.00000
      3     -21.8632      1.00000
      4     -21.3387      1.00000
      5     -21.3032      1.00000
      6     -20.7832      1.00000
      7     -20.7448      1.00000
      8     -20.5788      1.00000
      9     -20.0479      1.00000
     10     -20.0123      1.00000
     11     -19.6812      1.00000
     12     -19.6464      1.00000
     13     -18.9688      1.00000
     14     -18.9312      1.00000
     15     -18.6129      1.00000
     16     -18.5756      1.00000
     17     -18.4181      1.00000
     18     -17.6329      1.00000
     19     -17.5878      1.00000
     20     -17.5669      1.00000
     21     -17.5495      1.00000
     22     -17.0986      1.00000
     23     -17.0561      1.00000
     24     -16.9384      1.00000
     25     -15.9816      1.00000
     26     -15.8705      1.00000
     27     -15.5676      1.00000
     28     -15.5288      1.00000
     29     -15.2322      1.00000
     30     -14.8496      1.00000
     31     -14.7920      1.00000
     32     -14.5386      1.00000
     33     -14.5007      1.00000
     34     -14.1289      1.00000
     35     -14.1170      1.00000
     36     -13.1561      1.00000
     37     -13.0503      1.00000
     38     -12.9967      1.00000
     39     -12.9768      1.00000
     40     -12.6999      1.00000
     41     -12.6548      1.00000
     42     -12.2981      1.00000
     43     -12.2790      1.00000
     44     -11.6197      1.00000
     45     -11.5866      1.00000
     46     -11.5266      1.00000
     47     -10.9230      1.00000
     48     -10.8971      1.00000
     49     -10.7125      1.00000
     50     -10.5667      1.00000
     51     -10.5345      1.00000
     52     -10.4665      1.00000
     53     -10.4260      1.00000
     54     -10.3668      1.00000
     55     -10.3156      1.00000
     56     -10.0344      1.00000
     57      -9.8705      1.00000
     58      -9.6021      1.00000
     59      -9.5228      1.00000
     60      -9.4548      1.00000
     61      -9.4044      1.00000
     62      -9.3727      1.00000
     63      -9.3421      1.00000
     64      -9.2976      1.00000
     65      -9.2458      1.00000
     66      -9.1347      1.00000
     67      -9.0886      1.00000
     68      -9.0719      1.00000
     69      -8.8513      1.00000
     70      -8.8331      1.00000
     71      -8.7032      1.00000
     72      -8.5602      1.00000
     73      -8.4379      1.00000
     74      -8.1978      1.00000
     75      -8.1701      1.00000
     76      -8.0391      1.00000
     77      -7.8668      1.00000
     78      -7.8040      1.00000
     79      -7.7707      1.00000
     80      -7.7179      1.00000
     81      -7.6795      1.00000
     82      -7.6416      1.00000
     83      -7.4470      1.00000
     84      -7.3083      1.00000
     85      -6.9194      1.00000
     86      -6.8886      1.00000
     87      -6.7758      1.00000
     88      -6.5575      1.00000
     89      -6.3891      1.00000
     90      -6.3228      1.00000
     91      -6.2776      1.00000
     92      -6.1699      1.00000
     93      -6.0678      1.00000
     94      -5.7831      1.00000
     95      -5.5321      1.00000
     96      -5.3566      1.00000
     97      -5.2046      1.00000
     98      -5.1777      1.00000
     99      -5.0301      1.00000
    100      -4.8137      1.00000
    101      -4.6692      1.00000
    102      -4.4928      1.00000
    103      -4.4308      1.00000
    104      -4.2369      1.00000
    105      -3.6320      1.00000
    106      -3.5462      1.00000
    107      -2.8451      0.00000
    108      -2.1357      0.00000
    109      -1.2461      0.00000
    110      -1.1893      0.00000
    111      -1.1784      0.00000
    112      -0.8859      0.00000
    113      -0.8675      0.00000
    114      -0.7863      0.00000
    115      -0.7535      0.00000
    116       0.1429      0.00000
    117       0.2442      0.00000
    118       0.3166      0.00000
    119       0.7211      0.00000
    120       0.8576      0.00000
    121       0.9365      0.00000
    122       1.1663      0.00000
    123       1.2619      0.00000
    124       1.5205      0.00000
    125       1.5808      0.00000
    126       1.7990      0.00000
    127       1.8842      0.00000
    128       1.8933      0.00000
    129       1.9678      0.00000
    130       2.0510      0.00000
    131       2.2236      0.00000
    132       2.3397      0.00000
    133       2.4331      0.00000
    134       2.4455      0.00000
    135       2.5803      0.00000
    136       2.6081      0.00000
    137       2.6666      0.00000
    138       2.7182      0.00000
    139       2.7577      0.00000
    140       2.8969      0.00000
    141       3.0454      0.00000
    142       3.1428      0.00000
    143       3.2030      0.00000
    144       3.2296      0.00000
    145       3.2447      0.00000
    146       3.2846      0.00000
    147       3.3373      0.00000
    148       3.4451      0.00000
    149       3.5473      0.00000
    150       3.6094      0.00000
    151       3.6955      0.00000
    152       3.7179      0.00000
    153       3.8592      0.00000
    154       3.9041      0.00000
    155       3.9355      0.00000
    156       3.9633      0.00000
    157       4.0177      0.00000
    158       4.0216      0.00000
    159       4.0379      0.00000
    160       4.0843      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3346      1.00000
      2     -21.7742      1.00000
      3     -21.5933      1.00000
      4     -21.5688      1.00000
      5     -21.2241      1.00000
      6     -21.1949      1.00000
      7     -21.0193      1.00000
      8     -20.1196      1.00000
      9     -20.0881      1.00000
     10     -19.5768      1.00000
     11     -19.5432      1.00000
     12     -19.3732      1.00000
     13     -19.0608      1.00000
     14     -19.0209      1.00000
     15     -19.0042      1.00000
     16     -18.9865      1.00000
     17     -18.3335      1.00000
     18     -18.3031      1.00000
     19     -17.9742      1.00000
     20     -17.0238      1.00000
     21     -16.9829      1.00000
     22     -16.9257      1.00000
     23     -16.9001      1.00000
     24     -16.4549      1.00000
     25     -16.4199      1.00000
     26     -15.5765      1.00000
     27     -15.5478      1.00000
     28     -15.2044      1.00000
     29     -15.1825      1.00000
     30     -15.1632      1.00000
     31     -15.0833      1.00000
     32     -15.0301      1.00000
     33     -14.6707      1.00000
     34     -14.6437      1.00000
     35     -13.7043      1.00000
     36     -13.6717      1.00000
     37     -13.2078      1.00000
     38     -12.6393      1.00000
     39     -12.5396      1.00000
     40     -12.4266      1.00000
     41     -12.4045      1.00000
     42     -12.0744      1.00000
     43     -12.0526      1.00000
     44     -11.6777      1.00000
     45     -11.6456      1.00000
     46     -11.2871      1.00000
     47     -11.1857      1.00000
     48     -10.9961      1.00000
     49     -10.9651      1.00000
     50     -10.8888      1.00000
     51     -10.8565      1.00000
     52     -10.5623      1.00000
     53     -10.2067      1.00000
     54     -10.1169      1.00000
     55     -10.0600      1.00000
     56      -9.8900      1.00000
     57      -9.6630      1.00000
     58      -9.6630      1.00000
     59      -9.6266      1.00000
     60      -9.6008      1.00000
     61      -9.5328      1.00000
     62      -9.4742      1.00000
     63      -9.3133      1.00000
     64      -9.2654      1.00000
     65      -9.2218      1.00000
     66      -9.1936      1.00000
     67      -9.0958      1.00000
     68      -9.0909      1.00000
     69      -9.0691      1.00000
     70      -8.9032      1.00000
     71      -8.8384      1.00000
     72      -8.5729      1.00000
     73      -8.5600      1.00000
     74      -8.1712      1.00000
     75      -8.0112      1.00000
     76      -7.9478      1.00000
     77      -7.8833      1.00000
     78      -7.7769      1.00000
     79      -7.7277      1.00000
     80      -7.7141      1.00000
     81      -7.4030      1.00000
     82      -7.2832      1.00000
     83      -7.2447      1.00000
     84      -7.2184      1.00000
     85      -7.1529      1.00000
     86      -6.9682      1.00000
     87      -6.8566      1.00000
     88      -6.6942      1.00000
     89      -6.6622      1.00000
     90      -6.5855      1.00000
     91      -6.1600      1.00000
     92      -6.0872      1.00000
     93      -6.0722      1.00000
     94      -5.9095      1.00000
     95      -5.8824      1.00000
     96      -5.3762      1.00000
     97      -5.1909      1.00000
     98      -4.8730      1.00000
     99      -4.8561      1.00000
    100      -4.6465      1.00000
    101      -4.5235      1.00000
    102      -4.3904      1.00000
    103      -4.2659      1.00000
    104      -4.0643      1.00000
    105      -4.0394      1.00000
    106      -3.5644      1.00000
    107      -2.8665      0.00000
    108      -1.7042      0.00000
    109      -1.6992      0.00000
    110      -1.3075      0.00000
    111      -1.2613      0.00000
    112      -1.2310      0.00000
    113      -1.2290      0.00000
    114      -0.5673      0.00000
    115      -0.2549      0.00000
    116      -0.1144      0.00000
    117       0.5843      0.00000
    118       0.6744      0.00000
    119       0.8088      0.00000
    120       0.9573      0.00000
    121       1.1398      0.00000
    122       1.2047      0.00000
    123       1.2821      0.00000
    124       1.4559      0.00000
    125       1.6198      0.00000
    126       1.6883      0.00000
    127       1.7763      0.00000
    128       1.7839      0.00000
    129       1.9129      0.00000
    130       1.9386      0.00000
    131       2.1834      0.00000
    132       2.1962      0.00000
    133       2.2358      0.00000
    134       2.4725      0.00000
    135       2.5066      0.00000
    136       2.5983      0.00000
    137       2.6431      0.00000
    138       2.7092      0.00000
    139       2.8274      0.00000
    140       2.8295      0.00000
    141       2.8609      0.00000
    142       2.9588      0.00000
    143       2.9809      0.00000
    144       3.0238      0.00000
    145       3.1453      0.00000
    146       3.3545      0.00000
    147       3.3832      0.00000
    148       3.4254      0.00000
    149       3.5908      0.00000
    150       3.6171      0.00000
    151       3.6378      0.00000
    152       3.6780      0.00000
    153       3.7896      0.00000
    154       3.8058      0.00000
    155       4.0090      0.00000
    156       4.0357      0.00000
    157       4.0561      0.00000
    158       4.1289      0.00000
    159       4.2391      0.00000
    160       4.3526      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1185      1.00000
      2     -22.1014      1.00000
      3     -21.9164      1.00000
      4     -21.3591      1.00000
      5     -20.9922      1.00000
      6     -20.9808      1.00000
      7     -20.4407      1.00000
      8     -20.4273      1.00000
      9     -20.2477      1.00000
     10     -20.2457      1.00000
     11     -19.8889      1.00000
     12     -19.8742      1.00000
     13     -18.8227      1.00000
     14     -18.7954      1.00000
     15     -18.2840      1.00000
     16     -18.2781      1.00000
     17     -18.1127      1.00000
     18     -18.1063      1.00000
     19     -17.7659      1.00000
     20     -17.7616      1.00000
     21     -17.2299      1.00000
     22     -17.2020      1.00000
     23     -17.1154      1.00000
     24     -17.0992      1.00000
     25     -16.0919      1.00000
     26     -15.8326      1.00000
     27     -15.8222      1.00000
     28     -15.8052      1.00000
     29     -15.1836      1.00000
     30     -14.5116      1.00000
     31     -14.4985      1.00000
     32     -14.2287      1.00000
     33     -13.9637      1.00000
     34     -13.9259      1.00000
     35     -13.7902      1.00000
     36     -13.7773      1.00000
     37     -13.5595      1.00000
     38     -13.5402      1.00000
     39     -13.3300      1.00000
     40     -12.6108      1.00000
     41     -12.1299      1.00000
     42     -12.1186      1.00000
     43     -12.0076      1.00000
     44     -11.9897      1.00000
     45     -11.6520      1.00000
     46     -11.6373      1.00000
     47     -11.1391      1.00000
     48     -11.1022      1.00000
     49     -10.7605      1.00000
     50     -10.7014      1.00000
     51     -10.4421      1.00000
     52     -10.1733      1.00000
     53     -10.1656      1.00000
     54     -10.1491      1.00000
     55     -10.0030      1.00000
     56      -9.9637      1.00000
     57      -9.9369      1.00000
     58      -9.8138      1.00000
     59      -9.7654      1.00000
     60      -9.7434      1.00000
     61      -9.7292      1.00000
     62      -9.4322      1.00000
     63      -9.3324      1.00000
     64      -9.0777      1.00000
     65      -9.0403      1.00000
     66      -8.9686      1.00000
     67      -8.9405      1.00000
     68      -8.8014      1.00000
     69      -8.6833      1.00000
     70      -8.6673      1.00000
     71      -8.5466      1.00000
     72      -8.5148      1.00000
     73      -8.4440      1.00000
     74      -8.4378      1.00000
     75      -8.2997      1.00000
     76      -8.2313      1.00000
     77      -8.1089      1.00000
     78      -8.0488      1.00000
     79      -8.0247      1.00000
     80      -7.7885      1.00000
     81      -7.6009      1.00000
     82      -7.5927      1.00000
     83      -7.4608      1.00000
     84      -7.0029      1.00000
     85      -6.9485      1.00000
     86      -6.8627      1.00000
     87      -6.5743      1.00000
     88      -6.5414      1.00000
     89      -6.4590      1.00000
     90      -6.4067      1.00000
     91      -6.3298      1.00000
     92      -5.9852      1.00000
     93      -5.7692      1.00000
     94      -5.7278      1.00000
     95      -5.5592      1.00000
     96      -5.3795      1.00000
     97      -5.2045      1.00000
     98      -5.1996      1.00000
     99      -5.1781      1.00000
    100      -5.1563      1.00000
    101      -4.6488      1.00000
    102      -4.5013      1.00000
    103      -4.4416      1.00000
    104      -4.3846      1.00000
    105      -3.5718      1.00000
    106      -3.4310      1.00000
    107      -2.7337      0.00000
    108      -2.4084      0.00000
    109      -1.1659      0.00000
    110      -1.1573      0.00000
    111      -1.1474      0.00000
    112      -1.0521      0.00000
    113      -0.4887      0.00000
    114      -0.4786      0.00000
    115      -0.3236      0.00000
    116      -0.2470      0.00000
    117       0.0054      0.00000
    118       0.0079      0.00000
    119       0.5223      0.00000
    120       0.6639      0.00000
    121       0.8218      0.00000
    122       1.0065      0.00000
    123       1.2447      0.00000
    124       1.5043      0.00000
    125       1.7657      0.00000
    126       1.9615      0.00000
    127       1.9619      0.00000
    128       2.0320      0.00000
    129       2.1053      0.00000
    130       2.1846      0.00000
    131       2.2888      0.00000
    132       2.2944      0.00000
    133       2.3665      0.00000
    134       2.5632      0.00000
    135       2.6391      0.00000
    136       2.6858      0.00000
    137       2.8528      0.00000
    138       2.8916      0.00000
    139       2.9676      0.00000
    140       2.9890      0.00000
    141       3.1348      0.00000
    142       3.1453      0.00000
    143       3.1515      0.00000
    144       3.1863      0.00000
    145       3.2482      0.00000
    146       3.2510      0.00000
    147       3.3383      0.00000
    148       3.3583      0.00000
    149       3.4212      0.00000
    150       3.4224      0.00000
    151       3.5173      0.00000
    152       3.6386      0.00000
    153       3.6938      0.00000
    154       3.7161      0.00000
    155       3.8412      0.00000
    156       3.9143      0.00000
    157       3.9713      0.00000
    158       3.9991      0.00000
    159       4.1207      0.00000
    160       4.2104      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2221      1.00000
      2     -22.0341      1.00000
      3     -21.6690      1.00000
      4     -21.6435      1.00000
      5     -20.9283      1.00000
      6     -20.8981      1.00000
      7     -20.5587      1.00000
      8     -20.5389      1.00000
      9     -20.5281      1.00000
     10     -19.9917      1.00000
     11     -19.4668      1.00000
     12     -19.4346      1.00000
     13     -19.2810      1.00000
     14     -19.2544      1.00000
     15     -18.3999      1.00000
     16     -18.3683      1.00000
     17     -17.8975      1.00000
     18     -17.8658      1.00000
     19     -17.7151      1.00000
     20     -17.6813      1.00000
     21     -17.4127      1.00000
     22     -17.3824      1.00000
     23     -17.2949      1.00000
     24     -16.4543      1.00000
     25     -16.4149      1.00000
     26     -15.9366      1.00000
     27     -15.3796      1.00000
     28     -15.3515      1.00000
     29     -15.0681      1.00000
     30     -15.0381      1.00000
     31     -14.8101      1.00000
     32     -14.7893      1.00000
     33     -14.2859      1.00000
     34     -14.2152      1.00000
     35     -13.4429      1.00000
     36     -13.3611      1.00000
     37     -13.1531      1.00000
     38     -13.1210      1.00000
     39     -12.9610      1.00000
     40     -12.9310      1.00000
     41     -12.5870      1.00000
     42     -12.5593      1.00000
     43     -12.1739      1.00000
     44     -11.5353      1.00000
     45     -11.4992      1.00000
     46     -11.2738      1.00000
     47     -11.2452      1.00000
     48     -11.1310      1.00000
     49     -10.7662      1.00000
     50     -10.6266      1.00000
     51     -10.4495      1.00000
     52     -10.2816      1.00000
     53     -10.2753      1.00000
     54     -10.1662      1.00000
     55     -10.0894      1.00000
     56     -10.0561      1.00000
     57      -9.8055      1.00000
     58      -9.7042      1.00000
     59      -9.6908      1.00000
     60      -9.6840      1.00000
     61      -9.6702      1.00000
     62      -9.6044      1.00000
     63      -9.3443      1.00000
     64      -9.3168      1.00000
     65      -9.2871      1.00000
     66      -8.9688      1.00000
     67      -8.9296      1.00000
     68      -8.8789      1.00000
     69      -8.7472      1.00000
     70      -8.5601      1.00000
     71      -8.4829      1.00000
     72      -8.4001      1.00000
     73      -8.3602      1.00000
     74      -8.2857      1.00000
     75      -8.2400      1.00000
     76      -8.2249      1.00000
     77      -8.2097      1.00000
     78      -8.1936      1.00000
     79      -7.9945      1.00000
     80      -7.7796      1.00000
     81      -7.4136      1.00000
     82      -7.3186      1.00000
     83      -7.2393      1.00000
     84      -7.1402      1.00000
     85      -7.0952      1.00000
     86      -6.9560      1.00000
     87      -6.9087      1.00000
     88      -6.5849      1.00000
     89      -6.5573      1.00000
     90      -6.4339      1.00000
     91      -6.2474      1.00000
     92      -5.9033      1.00000
     93      -5.8225      1.00000
     94      -5.6749      1.00000
     95      -5.5838      1.00000
     96      -5.2948      1.00000
     97      -5.2599      1.00000
     98      -5.1842      1.00000
     99      -5.1840      1.00000
    100      -5.1603      1.00000
    101      -4.5218      1.00000
    102      -4.4551      1.00000
    103      -4.3976      1.00000
    104      -4.0761      1.00000
    105      -3.9276      1.00000
    106      -3.5176      1.00000
    107      -2.8160      0.00000
    108      -1.8053      0.00000
    109      -1.7930      0.00000
    110      -1.0781      0.00000
    111      -1.0107      0.00000
    112      -0.9266      0.00000
    113      -0.6551      0.00000
    114      -0.6057      0.00000
    115      -0.5703      0.00000
    116      -0.5280      0.00000
    117       0.1597      0.00000
    118       0.2627      0.00000
    119       0.7117      0.00000
    120       0.9748      0.00000
    121       1.0952      0.00000
    122       1.2567      0.00000
    123       1.4268      0.00000
    124       1.5347      0.00000
    125       1.6027      0.00000
    126       1.6316      0.00000
    127       1.6492      0.00000
    128       1.8473      0.00000
    129       1.9403      0.00000
    130       2.1153      0.00000
    131       2.2130      0.00000
    132       2.3446      0.00000
    133       2.3739      0.00000
    134       2.4739      0.00000
    135       2.6046      0.00000
    136       2.6637      0.00000
    137       2.7447      0.00000
    138       2.7515      0.00000
    139       2.8571      0.00000
    140       2.9643      0.00000
    141       3.0562      0.00000
    142       3.0747      0.00000
    143       3.1944      0.00000
    144       3.2910      0.00000
    145       3.3371      0.00000
    146       3.3475      0.00000
    147       3.4798      0.00000
    148       3.5326      0.00000
    149       3.5644      0.00000
    150       3.6033      0.00000
    151       3.6207      0.00000
    152       3.6956      0.00000
    153       3.7374      0.00000
    154       3.7782      0.00000
    155       3.7866      0.00000
    156       3.8569      0.00000
    157       3.9318      0.00000
    158       4.0170      0.00000
    159       4.0402      0.00000
    160       4.2883      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3723      1.00000
      2     -21.5041      1.00000
      3     -21.4311      1.00000
      4     -21.4299      1.00000
      5     -21.4180      1.00000
      6     -21.4079      1.00000
      7     -21.4043      1.00000
      8     -19.6652      1.00000
      9     -19.5974      1.00000
     10     -19.5924      1.00000
     11     -19.5797      1.00000
     12     -19.5681      1.00000
     13     -19.5652      1.00000
     14     -18.7647      1.00000
     15     -18.7038      1.00000
     16     -18.6961      1.00000
     17     -18.6825      1.00000
     18     -18.6741      1.00000
     19     -18.6702      1.00000
     20     -16.6304      1.00000
     21     -16.5493      1.00000
     22     -16.5443      1.00000
     23     -16.5345      1.00000
     24     -16.5261      1.00000
     25     -16.5226      1.00000
     26     -15.6076      1.00000
     27     -15.5645      1.00000
     28     -15.5240      1.00000
     29     -15.5220      1.00000
     30     -15.5186      1.00000
     31     -15.5157      1.00000
     32     -14.2560      1.00000
     33     -14.2209      1.00000
     34     -14.1953      1.00000
     35     -14.1937      1.00000
     36     -14.1748      1.00000
     37     -14.1714      1.00000
     38     -11.9840      1.00000
     39     -11.8716      1.00000
     40     -11.8243      1.00000
     41     -11.8092      1.00000
     42     -11.8089      1.00000
     43     -11.8023      1.00000
     44     -11.7298      1.00000
     45     -11.7210      1.00000
     46     -11.7070      1.00000
     47     -11.6979      1.00000
     48     -11.6872      1.00000
     49     -11.6830      1.00000
     50     -10.6439      1.00000
     51     -10.3749      1.00000
     52     -10.3569      1.00000
     53     -10.3375      1.00000
     54     -10.3279      1.00000
     55     -10.3198      1.00000
     56     -10.2952      1.00000
     57      -9.7911      1.00000
     58      -9.4112      1.00000
     59      -9.3903      1.00000
     60      -9.3527      1.00000
     61      -9.3419      1.00000
     62      -9.3330      1.00000
     63      -9.1758      1.00000
     64      -9.0772      1.00000
     65      -9.0749      1.00000
     66      -9.0644      1.00000
     67      -9.0612      1.00000
     68      -9.0325      1.00000
     69      -9.0265      1.00000
     70      -9.0257      1.00000
     71      -9.0156      1.00000
     72      -9.0053      1.00000
     73      -8.9935      1.00000
     74      -8.9726      1.00000
     75      -7.9875      1.00000
     76      -7.7009      1.00000
     77      -7.5053      1.00000
     78      -7.4852      1.00000
     79      -7.4590      1.00000
     80      -7.4127      1.00000
     81      -7.3976      1.00000
     82      -7.3784      1.00000
     83      -7.3470      1.00000
     84      -7.2236      1.00000
     85      -7.1819      1.00000
     86      -7.1771      1.00000
     87      -7.1738      1.00000
     88      -6.6145      1.00000
     89      -6.5769      1.00000
     90      -6.3654      1.00000
     91      -6.3566      1.00000
     92      -6.3171      1.00000
     93      -6.2938      1.00000
     94      -5.9449      1.00000
     95      -5.8920      1.00000
     96      -5.3607      1.00000
     97      -5.1928      1.00000
     98      -4.8395      1.00000
     99      -4.7155      1.00000
    100      -4.3632      1.00000
    101      -4.3572      1.00000
    102      -4.3463      1.00000
    103      -4.3346      1.00000
    104      -4.1687      1.00000
    105      -3.9334      1.00000
    106      -3.5928      1.00000
    107      -2.9220      0.00000
    108      -1.5540      0.00000
    109      -1.5500      0.00000
    110      -1.5374      0.00000
    111      -1.5363      0.00000
    112      -1.4798      0.00000
    113      -1.4633      0.00000
    114       0.0759      0.00000
    115       0.2360      0.00000
    116       0.2806      0.00000
    117       0.3016      0.00000
    118       0.3070      0.00000
    119       0.3743      0.00000
    120       0.6146      0.00000
    121       1.2673      0.00000
    122       1.3698      0.00000
    123       1.7034      0.00000
    124       1.7564      0.00000
    125       1.7844      0.00000
    126       1.7894      0.00000
    127       1.8528      0.00000
    128       1.8738      0.00000
    129       2.0002      0.00000
    130       2.0053      0.00000
    131       2.0160      0.00000
    132       2.0218      0.00000
    133       2.0234      0.00000
    134       2.0865      0.00000
    135       2.3158      0.00000
    136       2.4633      0.00000
    137       2.5773      0.00000
    138       2.6011      0.00000
    139       2.6362      0.00000
    140       2.7385      0.00000
    141       2.8506      0.00000
    142       3.0384      0.00000
    143       3.0533      0.00000
    144       3.0678      0.00000
    145       3.0858      0.00000
    146       3.0972      0.00000
    147       3.1076      0.00000
    148       3.4503      0.00000
    149       3.5443      0.00000
    150       3.5891      0.00000
    151       3.9208      0.00000
    152       3.9326      0.00000
    153       3.9508      0.00000
    154       3.9597      0.00000
    155       3.9806      0.00000
    156       4.0543      0.00000
    157       4.1601      0.00000
    158       4.2112      0.00000
    159       4.2567      0.00000
    160       4.2681      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3348      1.00000
      2     -21.7722      1.00000
      3     -21.5976      1.00000
      4     -21.5674      1.00000
      5     -21.2224      1.00000
      6     -21.1946      1.00000
      7     -21.0207      1.00000
      8     -20.1197      1.00000
      9     -20.0876      1.00000
     10     -19.5722      1.00000
     11     -19.5453      1.00000
     12     -19.3783      1.00000
     13     -19.0501      1.00000
     14     -19.0194      1.00000
     15     -19.0055      1.00000
     16     -18.9948      1.00000
     17     -18.3282      1.00000
     18     -18.3043      1.00000
     19     -17.9815      1.00000
     20     -17.0354      1.00000
     21     -16.9842      1.00000
     22     -16.9176      1.00000
     23     -16.8988      1.00000
     24     -16.4374      1.00000
     25     -16.4153      1.00000
     26     -15.5902      1.00000
     27     -15.5575      1.00000
     28     -15.2357      1.00000
     29     -15.1957      1.00000
     30     -15.1322      1.00000
     31     -15.0577      1.00000
     32     -15.0295      1.00000
     33     -14.6696      1.00000
     34     -14.6506      1.00000
     35     -13.7064      1.00000
     36     -13.6804      1.00000
     37     -13.2018      1.00000
     38     -12.5978      1.00000
     39     -12.5414      1.00000
     40     -12.4197      1.00000
     41     -12.4035      1.00000
     42     -12.1104      1.00000
     43     -12.0686      1.00000
     44     -11.6967      1.00000
     45     -11.6476      1.00000
     46     -11.2343      1.00000
     47     -11.1899      1.00000
     48     -11.0080      1.00000
     49     -10.9715      1.00000
     50     -10.9099      1.00000
     51     -10.8662      1.00000
     52     -10.5299      1.00000
     53     -10.1284      1.00000
     54     -10.1221      1.00000
     55     -10.0808      1.00000
     56      -9.9189      1.00000
     57      -9.7073      1.00000
     58      -9.6700      1.00000
     59      -9.6121      1.00000
     60      -9.5825      1.00000
     61      -9.5436      1.00000
     62      -9.4795      1.00000
     63      -9.2960      1.00000
     64      -9.2768      1.00000
     65      -9.2294      1.00000
     66      -9.1754      1.00000
     67      -9.1104      1.00000
     68      -9.0756      1.00000
     69      -9.0649      1.00000
     70      -8.9051      1.00000
     71      -8.8462      1.00000
     72      -8.6034      1.00000
     73      -8.5658      1.00000
     74      -8.1227      1.00000
     75      -8.0446      1.00000
     76      -7.9500      1.00000
     77      -7.8304      1.00000
     78      -7.7919      1.00000
     79      -7.7289      1.00000
     80      -7.6930      1.00000
     81      -7.3486      1.00000
     82      -7.3339      1.00000
     83      -7.3267      1.00000
     84      -7.2701      1.00000
     85      -7.0657      1.00000
     86      -6.9821      1.00000
     87      -6.8253      1.00000
     88      -6.7506      1.00000
     89      -6.6427      1.00000
     90      -6.5644      1.00000
     91      -6.1382      1.00000
     92      -6.1043      1.00000
     93      -6.0934      1.00000
     94      -5.9663      1.00000
     95      -5.7347      1.00000
     96      -5.3969      1.00000
     97      -5.2076      1.00000
     98      -4.9397      1.00000
     99      -4.7989      1.00000
    100      -4.6380      1.00000
    101      -4.5373      1.00000
    102      -4.4852      1.00000
    103      -4.3643      1.00000
    104      -4.0451      1.00000
    105      -3.8148      1.00000
    106      -3.5700      1.00000
    107      -2.9441      0.00000
    108      -1.7190      0.00000
    109      -1.6761      0.00000
    110      -1.2935      0.00000
    111      -1.2725      0.00000
    112      -1.2458      0.00000
    113      -1.2132      0.00000
    114      -0.5604      0.00000
    115      -0.1917      0.00000
    116      -0.1702      0.00000
    117       0.6293      0.00000
    118       0.6773      0.00000
    119       0.7259      0.00000
    120       0.9857      0.00000
    121       1.1166      0.00000
    122       1.2409      0.00000
    123       1.3416      0.00000
    124       1.4468      0.00000
    125       1.4967      0.00000
    126       1.7427      0.00000
    127       1.7649      0.00000
    128       1.8001      0.00000
    129       1.8566      0.00000
    130       1.9507      0.00000
    131       2.1718      0.00000
    132       2.2122      0.00000
    133       2.2639      0.00000
    134       2.4298      0.00000
    135       2.5081      0.00000
    136       2.6165      0.00000
    137       2.6906      0.00000
    138       2.6973      0.00000
    139       2.7800      0.00000
    140       2.8045      0.00000
    141       2.8560      0.00000
    142       2.8609      0.00000
    143       2.9985      0.00000
    144       3.0653      0.00000
    145       3.2739      0.00000
    146       3.3627      0.00000
    147       3.3738      0.00000
    148       3.4468      0.00000
    149       3.5277      0.00000
    150       3.5860      0.00000
    151       3.6566      0.00000
    152       3.7272      0.00000
    153       3.7666      0.00000
    154       3.9331      0.00000
    155       3.9592      0.00000
    156       4.0427      0.00000
    157       4.0845      0.00000
    158       4.1653      0.00000
    159       4.2432      0.00000
    160       4.2716      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2231      1.00000
      2     -22.0316      1.00000
      3     -21.6720      1.00000
      4     -21.6423      1.00000
      5     -20.9284      1.00000
      6     -20.8976      1.00000
      7     -20.5679      1.00000
      8     -20.5334      1.00000
      9     -20.5244      1.00000
     10     -19.9917      1.00000
     11     -19.4665      1.00000
     12     -19.4374      1.00000
     13     -19.2746      1.00000
     14     -19.2546      1.00000
     15     -18.4061      1.00000
     16     -18.3683      1.00000
     17     -17.8954      1.00000
     18     -17.8656      1.00000
     19     -17.7177      1.00000
     20     -17.6831      1.00000
     21     -17.4080      1.00000
     22     -17.3837      1.00000
     23     -17.3053      1.00000
     24     -16.4329      1.00000
     25     -16.4126      1.00000
     26     -15.9179      1.00000
     27     -15.3893      1.00000
     28     -15.3597      1.00000
     29     -15.0730      1.00000
     30     -15.0459      1.00000
     31     -14.8379      1.00000
     32     -14.8038      1.00000
     33     -14.2533      1.00000
     34     -14.2160      1.00000
     35     -13.4116      1.00000
     36     -13.3623      1.00000
     37     -13.1603      1.00000
     38     -13.1309      1.00000
     39     -12.9366      1.00000
     40     -12.9269      1.00000
     41     -12.6029      1.00000
     42     -12.5706      1.00000
     43     -12.1696      1.00000
     44     -11.5638      1.00000
     45     -11.5034      1.00000
     46     -11.3011      1.00000
     47     -11.2501      1.00000
     48     -11.1211      1.00000
     49     -10.6819      1.00000
     50     -10.6328      1.00000
     51     -10.4481      1.00000
     52     -10.2878      1.00000
     53     -10.2751      1.00000
     54     -10.1606      1.00000
     55     -10.0841      1.00000
     56     -10.0707      1.00000
     57      -9.7889      1.00000
     58      -9.7392      1.00000
     59      -9.6950      1.00000
     60      -9.6742      1.00000
     61      -9.6599      1.00000
     62      -9.5981      1.00000
     63      -9.3382      1.00000
     64      -9.3209      1.00000
     65      -9.2875      1.00000
     66      -9.0298      1.00000
     67      -8.9328      1.00000
     68      -8.8421      1.00000
     69      -8.7614      1.00000
     70      -8.5919      1.00000
     71      -8.4959      1.00000
     72      -8.3700      1.00000
     73      -8.3634      1.00000
     74      -8.3038      1.00000
     75      -8.2443      1.00000
     76      -8.2425      1.00000
     77      -8.2239      1.00000
     78      -8.1964      1.00000
     79      -7.8737      1.00000
     80      -7.7449      1.00000
     81      -7.3704      1.00000
     82      -7.3158      1.00000
     83      -7.2986      1.00000
     84      -7.2070      1.00000
     85      -7.1802      1.00000
     86      -6.9498      1.00000
     87      -6.9313      1.00000
     88      -6.5931      1.00000
     89      -6.5392      1.00000
     90      -6.2653      1.00000
     91      -6.2011      1.00000
     92      -5.9821      1.00000
     93      -5.8153      1.00000
     94      -5.6692      1.00000
     95      -5.5143      1.00000
     96      -5.3310      1.00000
     97      -5.3055      1.00000
     98      -5.1926      1.00000
     99      -5.1901      1.00000
    100      -5.1081      1.00000
    101      -4.6897      1.00000
    102      -4.5492      1.00000
    103      -4.4508      1.00000
    104      -3.9150      1.00000
    105      -3.7077      1.00000
    106      -3.5358      1.00000
    107      -2.9664      0.00000
    108      -1.8176      0.00000
    109      -1.7624      0.00000
    110      -1.0862      0.00000
    111      -0.9718      0.00000
    112      -0.9419      0.00000
    113      -0.6478      0.00000
    114      -0.6055      0.00000
    115      -0.5693      0.00000
    116      -0.5314      0.00000
    117       0.1757      0.00000
    118       0.2566      0.00000
    119       0.7900      0.00000
    120       1.0066      0.00000
    121       1.1145      0.00000
    122       1.1681      0.00000
    123       1.3568      0.00000
    124       1.4806      0.00000
    125       1.5913      0.00000
    126       1.5957      0.00000
    127       1.6870      0.00000
    128       1.9105      0.00000
    129       1.9538      0.00000
    130       2.0301      0.00000
    131       2.1928      0.00000
    132       2.3435      0.00000
    133       2.3893      0.00000
    134       2.4132      0.00000
    135       2.6000      0.00000
    136       2.6866      0.00000
    137       2.7459      0.00000
    138       2.7836      0.00000
    139       2.8426      0.00000
    140       3.0071      0.00000
    141       3.0543      0.00000
    142       3.0874      0.00000
    143       3.1405      0.00000
    144       3.2618      0.00000
    145       3.3303      0.00000
    146       3.3944      0.00000
    147       3.4585      0.00000
    148       3.5431      0.00000
    149       3.5796      0.00000
    150       3.6040      0.00000
    151       3.6817      0.00000
    152       3.7072      0.00000
    153       3.7722      0.00000
    154       3.7892      0.00000
    155       3.7983      0.00000
    156       3.9411      0.00000
    157       3.9470      0.00000
    158       4.0385      0.00000
    159       4.1977      0.00000
    160       4.2627      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2601      1.00000
      2     -21.8889      1.00000
      3     -21.8757      1.00000
      4     -21.3271      1.00000
      5     -21.3154      1.00000
      6     -20.7716      1.00000
      7     -20.7563      1.00000
      8     -20.5790      1.00000
      9     -20.0306      1.00000
     10     -20.0278      1.00000
     11     -19.6719      1.00000
     12     -19.6577      1.00000
     13     -18.9490      1.00000
     14     -18.9488      1.00000
     15     -18.5936      1.00000
     16     -18.5932      1.00000
     17     -18.4185      1.00000
     18     -17.6432      1.00000
     19     -17.5879      1.00000
     20     -17.5658      1.00000
     21     -17.5604      1.00000
     22     -17.0742      1.00000
     23     -17.0729      1.00000
     24     -16.9206      1.00000
     25     -15.9540      1.00000
     26     -15.9046      1.00000
     27     -15.5486      1.00000
     28     -15.5314      1.00000
     29     -15.2688      1.00000
     30     -14.8177      1.00000
     31     -14.7947      1.00000
     32     -14.5415      1.00000
     33     -14.5104      1.00000
     34     -14.1322      1.00000
     35     -14.1279      1.00000
     36     -13.1050      1.00000
     37     -13.0421      1.00000
     38     -13.0179      1.00000
     39     -12.9875      1.00000
     40     -12.6762      1.00000
     41     -12.6744      1.00000
     42     -12.2887      1.00000
     43     -12.2817      1.00000
     44     -11.6531      1.00000
     45     -11.6002      1.00000
     46     -11.5401      1.00000
     47     -10.9410      1.00000
     48     -10.8917      1.00000
     49     -10.6373      1.00000
     50     -10.5970      1.00000
     51     -10.4754      1.00000
     52     -10.4648      1.00000
     53     -10.4062      1.00000
     54     -10.4034      1.00000
     55     -10.3150      1.00000
     56     -10.0400      1.00000
     57      -9.8760      1.00000
     58      -9.5858      1.00000
     59      -9.5212      1.00000
     60      -9.5027      1.00000
     61      -9.3790      1.00000
     62      -9.3713      1.00000
     63      -9.3410      1.00000
     64      -9.2944      1.00000
     65      -9.2423      1.00000
     66      -9.1702      1.00000
     67      -9.1270      1.00000
     68      -9.0833      1.00000
     69      -8.8454      1.00000
     70      -8.8250      1.00000
     71      -8.6814      1.00000
     72      -8.5745      1.00000
     73      -8.4196      1.00000
     74      -8.1995      1.00000
     75      -8.1528      1.00000
     76      -7.9734      1.00000
     77      -7.8833      1.00000
     78      -7.8201      1.00000
     79      -7.7932      1.00000
     80      -7.7664      1.00000
     81      -7.6761      1.00000
     82      -7.6208      1.00000
     83      -7.4098      1.00000
     84      -7.3509      1.00000
     85      -6.8997      1.00000
     86      -6.8918      1.00000
     87      -6.7306      1.00000
     88      -6.6473      1.00000
     89      -6.4090      1.00000
     90      -6.3308      1.00000
     91      -6.2893      1.00000
     92      -6.1837      1.00000
     93      -5.9729      1.00000
     94      -5.5815      1.00000
     95      -5.4780      1.00000
     96      -5.4117      1.00000
     97      -5.3708      1.00000
     98      -5.1940      1.00000
     99      -5.1072      1.00000
    100      -4.7531      1.00000
    101      -4.7035      1.00000
    102      -4.5693      1.00000
    103      -4.4191      1.00000
    104      -4.2016      1.00000
    105      -3.5536      1.00000
    106      -3.3956      1.00000
    107      -3.0493      0.00000
    108      -2.1031      0.00000
    109      -1.2456      0.00000
    110      -1.2043      0.00000
    111      -1.1759      0.00000
    112      -0.9330      0.00000
    113      -0.8336      0.00000
    114      -0.7844      0.00000
    115      -0.7021      0.00000
    116       0.1963      0.00000
    117       0.2017      0.00000
    118       0.3058      0.00000
    119       0.7684      0.00000
    120       0.8219      0.00000
    121       0.9128      0.00000
    122       1.1203      0.00000
    123       1.3281      0.00000
    124       1.5074      0.00000
    125       1.5831      0.00000
    126       1.8085      0.00000
    127       1.8349      0.00000
    128       1.8786      0.00000
    129       1.9682      0.00000
    130       1.9868      0.00000
    131       2.2537      0.00000
    132       2.4099      0.00000
    133       2.4188      0.00000
    134       2.4298      0.00000
    135       2.5595      0.00000
    136       2.5882      0.00000
    137       2.6303      0.00000
    138       2.7179      0.00000
    139       2.7367      0.00000
    140       2.9626      0.00000
    141       3.0575      0.00000
    142       3.1294      0.00000
    143       3.1952      0.00000
    144       3.2410      0.00000
    145       3.2451      0.00000
    146       3.3122      0.00000
    147       3.3392      0.00000
    148       3.5188      0.00000
    149       3.5222      0.00000
    150       3.6273      0.00000
    151       3.6974      0.00000
    152       3.7344      0.00000
    153       3.8042      0.00000
    154       3.9293      0.00000
    155       3.9879      0.00000
    156       3.9895      0.00000
    157       3.9983      0.00000
    158       4.0158      0.00000
    159       4.0365      0.00000
    160       4.1415      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1285      1.00000
      2     -22.0894      1.00000
      3     -21.9184      1.00000
      4     -21.3591      1.00000
      5     -21.0043      1.00000
      6     -20.9685      1.00000
      7     -20.4527      1.00000
      8     -20.4148      1.00000
      9     -20.2614      1.00000
     10     -20.2315      1.00000
     11     -19.9009      1.00000
     12     -19.8630      1.00000
     13     -18.8281      1.00000
     14     -18.7844      1.00000
     15     -18.3119      1.00000
     16     -18.2614      1.00000
     17     -18.1215      1.00000
     18     -18.0923      1.00000
     19     -17.7856      1.00000
     20     -17.7465      1.00000
     21     -17.2256      1.00000
     22     -17.1945      1.00000
     23     -17.1327      1.00000
     24     -17.0939      1.00000
     25     -16.0581      1.00000
     26     -15.8596      1.00000
     27     -15.8221      1.00000
     28     -15.7897      1.00000
     29     -15.2093      1.00000
     30     -14.5305      1.00000
     31     -14.4849      1.00000
     32     -14.2537      1.00000
     33     -13.9296      1.00000
     34     -13.9181      1.00000
     35     -13.7920      1.00000
     36     -13.7629      1.00000
     37     -13.5826      1.00000
     38     -13.5343      1.00000
     39     -13.3233      1.00000
     40     -12.5848      1.00000
     41     -12.1757      1.00000
     42     -12.1011      1.00000
     43     -12.0354      1.00000
     44     -11.9903      1.00000
     45     -11.6563      1.00000
     46     -11.6212      1.00000
     47     -11.1384      1.00000
     48     -11.0835      1.00000
     49     -10.7814      1.00000
     50     -10.7049      1.00000
     51     -10.4045      1.00000
     52     -10.1932      1.00000
     53     -10.1679      1.00000
     54     -10.1265      1.00000
     55      -9.9939      1.00000
     56      -9.9824      1.00000
     57      -9.9407      1.00000
     58      -9.7949      1.00000
     59      -9.7704      1.00000
     60      -9.7419      1.00000
     61      -9.7212      1.00000
     62      -9.4383      1.00000
     63      -9.3354      1.00000
     64      -9.0896      1.00000
     65      -9.0441      1.00000
     66      -9.0034      1.00000
     67      -8.8914      1.00000
     68      -8.8258      1.00000
     69      -8.7085      1.00000
     70      -8.6654      1.00000
     71      -8.5674      1.00000
     72      -8.5080      1.00000
     73      -8.4726      1.00000
     74      -8.4376      1.00000
     75      -8.3320      1.00000
     76      -8.1983      1.00000
     77      -8.0665      1.00000
     78      -7.9806      1.00000
     79      -7.9070      1.00000
     80      -7.8807      1.00000
     81      -7.6953      1.00000
     82      -7.5617      1.00000
     83      -7.4938      1.00000
     84      -6.9791      1.00000
     85      -6.9094      1.00000
     86      -6.8595      1.00000
     87      -6.7413      1.00000
     88      -6.5202      1.00000
     89      -6.4684      1.00000
     90      -6.3795      1.00000
     91      -6.1924      1.00000
     92      -5.9299      1.00000
     93      -5.7962      1.00000
     94      -5.7502      1.00000
     95      -5.5570      1.00000
     96      -5.3763      1.00000
     97      -5.2437      1.00000
     98      -5.1960      1.00000
     99      -5.1820      1.00000
    100      -5.1227      1.00000
    101      -4.8094      1.00000
    102      -4.5391      1.00000
    103      -4.4570      1.00000
    104      -4.2456      1.00000
    105      -3.5546      1.00000
    106      -3.2901      1.00000
    107      -2.9390      0.00000
    108      -2.3439      0.00000
    109      -1.1833      0.00000
    110      -1.1643      0.00000
    111      -1.1148      0.00000
    112      -1.0594      0.00000
    113      -0.5036      0.00000
    114      -0.4566      0.00000
    115      -0.2976      0.00000
    116      -0.2728      0.00000
    117       0.0002      0.00000
    118       0.0351      0.00000
    119       0.5319      0.00000
    120       0.6425      0.00000
    121       0.8845      0.00000
    122       0.9809      0.00000
    123       1.1895      0.00000
    124       1.5351      0.00000
    125       1.7644      0.00000
    126       1.7834      0.00000
    127       2.0103      0.00000
    128       2.1243      0.00000
    129       2.1350      0.00000
    130       2.1509      0.00000
    131       2.2633      0.00000
    132       2.3094      0.00000
    133       2.3630      0.00000
    134       2.4632      0.00000
    135       2.6699      0.00000
    136       2.7580      0.00000
    137       2.7988      0.00000
    138       2.8800      0.00000
    139       2.9654      0.00000
    140       3.0043      0.00000
    141       3.0601      0.00000
    142       3.1148      0.00000
    143       3.1699      0.00000
    144       3.2393      0.00000
    145       3.2678      0.00000
    146       3.2989      0.00000
    147       3.3299      0.00000
    148       3.3517      0.00000
    149       3.4061      0.00000
    150       3.5378      0.00000
    151       3.6214      0.00000
    152       3.6765      0.00000
    153       3.7017      0.00000
    154       3.7135      0.00000
    155       3.7330      0.00000
    156       3.7925      0.00000
    157       3.9638      0.00000
    158       4.0628      0.00000
    159       4.1395      0.00000
    160       4.2684      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2597      1.00000
      2     -21.9014      1.00000
      3     -21.8632      1.00000
      4     -21.3387      1.00000
      5     -21.3032      1.00000
      6     -20.7832      1.00000
      7     -20.7448      1.00000
      8     -20.5788      1.00000
      9     -20.0479      1.00000
     10     -20.0123      1.00000
     11     -19.6812      1.00000
     12     -19.6464      1.00000
     13     -18.9688      1.00000
     14     -18.9312      1.00000
     15     -18.6129      1.00000
     16     -18.5756      1.00000
     17     -18.4181      1.00000
     18     -17.6329      1.00000
     19     -17.5878      1.00000
     20     -17.5669      1.00000
     21     -17.5495      1.00000
     22     -17.0986      1.00000
     23     -17.0561      1.00000
     24     -16.9384      1.00000
     25     -15.9816      1.00000
     26     -15.8705      1.00000
     27     -15.5676      1.00000
     28     -15.5288      1.00000
     29     -15.2322      1.00000
     30     -14.8496      1.00000
     31     -14.7920      1.00000
     32     -14.5386      1.00000
     33     -14.5007      1.00000
     34     -14.1289      1.00000
     35     -14.1170      1.00000
     36     -13.1561      1.00000
     37     -13.0503      1.00000
     38     -12.9967      1.00000
     39     -12.9768      1.00000
     40     -12.6999      1.00000
     41     -12.6548      1.00000
     42     -12.2981      1.00000
     43     -12.2790      1.00000
     44     -11.6197      1.00000
     45     -11.5866      1.00000
     46     -11.5266      1.00000
     47     -10.9230      1.00000
     48     -10.8971      1.00000
     49     -10.7125      1.00000
     50     -10.5667      1.00000
     51     -10.5345      1.00000
     52     -10.4665      1.00000
     53     -10.4260      1.00000
     54     -10.3668      1.00000
     55     -10.3156      1.00000
     56     -10.0344      1.00000
     57      -9.8705      1.00000
     58      -9.6021      1.00000
     59      -9.5228      1.00000
     60      -9.4548      1.00000
     61      -9.4044      1.00000
     62      -9.3727      1.00000
     63      -9.3421      1.00000
     64      -9.2976      1.00000
     65      -9.2458      1.00000
     66      -9.1347      1.00000
     67      -9.0886      1.00000
     68      -9.0719      1.00000
     69      -8.8513      1.00000
     70      -8.8331      1.00000
     71      -8.7032      1.00000
     72      -8.5602      1.00000
     73      -8.4379      1.00000
     74      -8.1978      1.00000
     75      -8.1701      1.00000
     76      -8.0391      1.00000
     77      -7.8668      1.00000
     78      -7.8040      1.00000
     79      -7.7707      1.00000
     80      -7.7179      1.00000
     81      -7.6795      1.00000
     82      -7.6416      1.00000
     83      -7.4470      1.00000
     84      -7.3083      1.00000
     85      -6.9194      1.00000
     86      -6.8886      1.00000
     87      -6.7758      1.00000
     88      -6.5575      1.00000
     89      -6.3891      1.00000
     90      -6.3228      1.00000
     91      -6.2776      1.00000
     92      -6.1699      1.00000
     93      -6.0678      1.00000
     94      -5.7831      1.00000
     95      -5.5321      1.00000
     96      -5.3566      1.00000
     97      -5.2046      1.00000
     98      -5.1777      1.00000
     99      -5.0301      1.00000
    100      -4.8137      1.00000
    101      -4.6692      1.00000
    102      -4.4928      1.00000
    103      -4.4308      1.00000
    104      -4.2369      1.00000
    105      -3.6320      1.00000
    106      -3.5462      1.00000
    107      -2.8451      0.00000
    108      -2.1357      0.00000
    109      -1.2461      0.00000
    110      -1.1893      0.00000
    111      -1.1784      0.00000
    112      -0.8859      0.00000
    113      -0.8675      0.00000
    114      -0.7863      0.00000
    115      -0.7535      0.00000
    116       0.1429      0.00000
    117       0.2442      0.00000
    118       0.3166      0.00000
    119       0.7211      0.00000
    120       0.8576      0.00000
    121       0.9365      0.00000
    122       1.1663      0.00000
    123       1.2619      0.00000
    124       1.5205      0.00000
    125       1.5808      0.00000
    126       1.7990      0.00000
    127       1.8842      0.00000
    128       1.8932      0.00000
    129       1.9678      0.00000
    130       2.0510      0.00000
    131       2.2236      0.00000
    132       2.3396      0.00000
    133       2.4330      0.00000
    134       2.4455      0.00000
    135       2.5803      0.00000
    136       2.6081      0.00000
    137       2.6666      0.00000
    138       2.7182      0.00000
    139       2.7577      0.00000
    140       2.8969      0.00000
    141       3.0454      0.00000
    142       3.1428      0.00000
    143       3.2029      0.00000
    144       3.2295      0.00000
    145       3.2446      0.00000
    146       3.2846      0.00000
    147       3.3373      0.00000
    148       3.4451      0.00000
    149       3.5473      0.00000
    150       3.6094      0.00000
    151       3.6955      0.00000
    152       3.7179      0.00000
    153       3.8592      0.00000
    154       3.9040      0.00000
    155       3.9354      0.00000
    156       3.9633      0.00000
    157       4.0177      0.00000
    158       4.0216      0.00000
    159       4.0379      0.00000
    160       4.0843      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3346      1.00000
      2     -21.7742      1.00000
      3     -21.5933      1.00000
      4     -21.5688      1.00000
      5     -21.2241      1.00000
      6     -21.1949      1.00000
      7     -21.0193      1.00000
      8     -20.1196      1.00000
      9     -20.0881      1.00000
     10     -19.5768      1.00000
     11     -19.5432      1.00000
     12     -19.3732      1.00000
     13     -19.0608      1.00000
     14     -19.0209      1.00000
     15     -19.0042      1.00000
     16     -18.9865      1.00000
     17     -18.3335      1.00000
     18     -18.3031      1.00000
     19     -17.9742      1.00000
     20     -17.0238      1.00000
     21     -16.9829      1.00000
     22     -16.9257      1.00000
     23     -16.9001      1.00000
     24     -16.4549      1.00000
     25     -16.4199      1.00000
     26     -15.5765      1.00000
     27     -15.5478      1.00000
     28     -15.2044      1.00000
     29     -15.1825      1.00000
     30     -15.1632      1.00000
     31     -15.0833      1.00000
     32     -15.0301      1.00000
     33     -14.6707      1.00000
     34     -14.6437      1.00000
     35     -13.7043      1.00000
     36     -13.6717      1.00000
     37     -13.2078      1.00000
     38     -12.6393      1.00000
     39     -12.5396      1.00000
     40     -12.4266      1.00000
     41     -12.4045      1.00000
     42     -12.0744      1.00000
     43     -12.0526      1.00000
     44     -11.6777      1.00000
     45     -11.6456      1.00000
     46     -11.2871      1.00000
     47     -11.1857      1.00000
     48     -10.9961      1.00000
     49     -10.9651      1.00000
     50     -10.8888      1.00000
     51     -10.8565      1.00000
     52     -10.5623      1.00000
     53     -10.2067      1.00000
     54     -10.1169      1.00000
     55     -10.0600      1.00000
     56      -9.8900      1.00000
     57      -9.6630      1.00000
     58      -9.6630      1.00000
     59      -9.6266      1.00000
     60      -9.6008      1.00000
     61      -9.5328      1.00000
     62      -9.4742      1.00000
     63      -9.3133      1.00000
     64      -9.2654      1.00000
     65      -9.2218      1.00000
     66      -9.1936      1.00000
     67      -9.0958      1.00000
     68      -9.0909      1.00000
     69      -9.0691      1.00000
     70      -8.9032      1.00000
     71      -8.8384      1.00000
     72      -8.5729      1.00000
     73      -8.5600      1.00000
     74      -8.1712      1.00000
     75      -8.0112      1.00000
     76      -7.9478      1.00000
     77      -7.8833      1.00000
     78      -7.7769      1.00000
     79      -7.7277      1.00000
     80      -7.7141      1.00000
     81      -7.4030      1.00000
     82      -7.2832      1.00000
     83      -7.2447      1.00000
     84      -7.2184      1.00000
     85      -7.1529      1.00000
     86      -6.9682      1.00000
     87      -6.8566      1.00000
     88      -6.6942      1.00000
     89      -6.6622      1.00000
     90      -6.5855      1.00000
     91      -6.1600      1.00000
     92      -6.0872      1.00000
     93      -6.0722      1.00000
     94      -5.9095      1.00000
     95      -5.8824      1.00000
     96      -5.3762      1.00000
     97      -5.1909      1.00000
     98      -4.8730      1.00000
     99      -4.8561      1.00000
    100      -4.6465      1.00000
    101      -4.5235      1.00000
    102      -4.3904      1.00000
    103      -4.2659      1.00000
    104      -4.0643      1.00000
    105      -4.0394      1.00000
    106      -3.5644      1.00000
    107      -2.8665      0.00000
    108      -1.7042      0.00000
    109      -1.6992      0.00000
    110      -1.3075      0.00000
    111      -1.2613      0.00000
    112      -1.2310      0.00000
    113      -1.2290      0.00000
    114      -0.5673      0.00000
    115      -0.2549      0.00000
    116      -0.1144      0.00000
    117       0.5843      0.00000
    118       0.6744      0.00000
    119       0.8088      0.00000
    120       0.9573      0.00000
    121       1.1398      0.00000
    122       1.2047      0.00000
    123       1.2821      0.00000
    124       1.4559      0.00000
    125       1.6198      0.00000
    126       1.6883      0.00000
    127       1.7763      0.00000
    128       1.7839      0.00000
    129       1.9129      0.00000
    130       1.9386      0.00000
    131       2.1834      0.00000
    132       2.1962      0.00000
    133       2.2358      0.00000
    134       2.4725      0.00000
    135       2.5066      0.00000
    136       2.5983      0.00000
    137       2.6430      0.00000
    138       2.7092      0.00000
    139       2.8274      0.00000
    140       2.8295      0.00000
    141       2.8609      0.00000
    142       2.9588      0.00000
    143       2.9808      0.00000
    144       3.0238      0.00000
    145       3.1453      0.00000
    146       3.3545      0.00000
    147       3.3831      0.00000
    148       3.4254      0.00000
    149       3.5908      0.00000
    150       3.6171      0.00000
    151       3.6378      0.00000
    152       3.6779      0.00000
    153       3.7896      0.00000
    154       3.8058      0.00000
    155       4.0090      0.00000
    156       4.0357      0.00000
    157       4.0560      0.00000
    158       4.1288      0.00000
    159       4.2391      0.00000
    160       4.3526      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1185      1.00000
      2     -22.1014      1.00000
      3     -21.9164      1.00000
      4     -21.3591      1.00000
      5     -20.9922      1.00000
      6     -20.9808      1.00000
      7     -20.4407      1.00000
      8     -20.4273      1.00000
      9     -20.2477      1.00000
     10     -20.2457      1.00000
     11     -19.8889      1.00000
     12     -19.8742      1.00000
     13     -18.8227      1.00000
     14     -18.7954      1.00000
     15     -18.2840      1.00000
     16     -18.2781      1.00000
     17     -18.1127      1.00000
     18     -18.1063      1.00000
     19     -17.7659      1.00000
     20     -17.7616      1.00000
     21     -17.2299      1.00000
     22     -17.2020      1.00000
     23     -17.1154      1.00000
     24     -17.0992      1.00000
     25     -16.0919      1.00000
     26     -15.8326      1.00000
     27     -15.8222      1.00000
     28     -15.8052      1.00000
     29     -15.1836      1.00000
     30     -14.5116      1.00000
     31     -14.4985      1.00000
     32     -14.2287      1.00000
     33     -13.9637      1.00000
     34     -13.9259      1.00000
     35     -13.7902      1.00000
     36     -13.7773      1.00000
     37     -13.5595      1.00000
     38     -13.5402      1.00000
     39     -13.3300      1.00000
     40     -12.6108      1.00000
     41     -12.1299      1.00000
     42     -12.1186      1.00000
     43     -12.0076      1.00000
     44     -11.9897      1.00000
     45     -11.6520      1.00000
     46     -11.6373      1.00000
     47     -11.1391      1.00000
     48     -11.1022      1.00000
     49     -10.7605      1.00000
     50     -10.7014      1.00000
     51     -10.4421      1.00000
     52     -10.1733      1.00000
     53     -10.1656      1.00000
     54     -10.1491      1.00000
     55     -10.0030      1.00000
     56      -9.9637      1.00000
     57      -9.9369      1.00000
     58      -9.8138      1.00000
     59      -9.7654      1.00000
     60      -9.7434      1.00000
     61      -9.7292      1.00000
     62      -9.4322      1.00000
     63      -9.3324      1.00000
     64      -9.0777      1.00000
     65      -9.0403      1.00000
     66      -8.9686      1.00000
     67      -8.9405      1.00000
     68      -8.8014      1.00000
     69      -8.6833      1.00000
     70      -8.6673      1.00000
     71      -8.5466      1.00000
     72      -8.5148      1.00000
     73      -8.4440      1.00000
     74      -8.4378      1.00000
     75      -8.2997      1.00000
     76      -8.2313      1.00000
     77      -8.1089      1.00000
     78      -8.0488      1.00000
     79      -8.0247      1.00000
     80      -7.7885      1.00000
     81      -7.6009      1.00000
     82      -7.5927      1.00000
     83      -7.4608      1.00000
     84      -7.0029      1.00000
     85      -6.9485      1.00000
     86      -6.8627      1.00000
     87      -6.5743      1.00000
     88      -6.5414      1.00000
     89      -6.4590      1.00000
     90      -6.4067      1.00000
     91      -6.3298      1.00000
     92      -5.9852      1.00000
     93      -5.7692      1.00000
     94      -5.7278      1.00000
     95      -5.5592      1.00000
     96      -5.3795      1.00000
     97      -5.2045      1.00000
     98      -5.1996      1.00000
     99      -5.1781      1.00000
    100      -5.1563      1.00000
    101      -4.6488      1.00000
    102      -4.5013      1.00000
    103      -4.4416      1.00000
    104      -4.3846      1.00000
    105      -3.5718      1.00000
    106      -3.4310      1.00000
    107      -2.7337      0.00000
    108      -2.4084      0.00000
    109      -1.1659      0.00000
    110      -1.1573      0.00000
    111      -1.1474      0.00000
    112      -1.0521      0.00000
    113      -0.4887      0.00000
    114      -0.4786      0.00000
    115      -0.3236      0.00000
    116      -0.2470      0.00000
    117       0.0054      0.00000
    118       0.0079      0.00000
    119       0.5223      0.00000
    120       0.6639      0.00000
    121       0.8218      0.00000
    122       1.0065      0.00000
    123       1.2447      0.00000
    124       1.5043      0.00000
    125       1.7657      0.00000
    126       1.9615      0.00000
    127       1.9619      0.00000
    128       2.0320      0.00000
    129       2.1052      0.00000
    130       2.1845      0.00000
    131       2.2888      0.00000
    132       2.2944      0.00000
    133       2.3664      0.00000
    134       2.5632      0.00000
    135       2.6391      0.00000
    136       2.6858      0.00000
    137       2.8528      0.00000
    138       2.8916      0.00000
    139       2.9676      0.00000
    140       2.9890      0.00000
    141       3.1348      0.00000
    142       3.1453      0.00000
    143       3.1515      0.00000
    144       3.1863      0.00000
    145       3.2482      0.00000
    146       3.2510      0.00000
    147       3.3383      0.00000
    148       3.3583      0.00000
    149       3.4212      0.00000
    150       3.4224      0.00000
    151       3.5173      0.00000
    152       3.6386      0.00000
    153       3.6937      0.00000
    154       3.7161      0.00000
    155       3.8412      0.00000
    156       3.9143      0.00000
    157       3.9712      0.00000
    158       3.9991      0.00000
    159       4.1207      0.00000
    160       4.2104      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2221      1.00000
      2     -22.0341      1.00000
      3     -21.6690      1.00000
      4     -21.6435      1.00000
      5     -20.9283      1.00000
      6     -20.8981      1.00000
      7     -20.5587      1.00000
      8     -20.5389      1.00000
      9     -20.5281      1.00000
     10     -19.9917      1.00000
     11     -19.4668      1.00000
     12     -19.4346      1.00000
     13     -19.2810      1.00000
     14     -19.2544      1.00000
     15     -18.3999      1.00000
     16     -18.3683      1.00000
     17     -17.8975      1.00000
     18     -17.8658      1.00000
     19     -17.7151      1.00000
     20     -17.6813      1.00000
     21     -17.4127      1.00000
     22     -17.3824      1.00000
     23     -17.2949      1.00000
     24     -16.4543      1.00000
     25     -16.4149      1.00000
     26     -15.9366      1.00000
     27     -15.3796      1.00000
     28     -15.3515      1.00000
     29     -15.0681      1.00000
     30     -15.0381      1.00000
     31     -14.8101      1.00000
     32     -14.7893      1.00000
     33     -14.2859      1.00000
     34     -14.2152      1.00000
     35     -13.4429      1.00000
     36     -13.3611      1.00000
     37     -13.1531      1.00000
     38     -13.1210      1.00000
     39     -12.9610      1.00000
     40     -12.9310      1.00000
     41     -12.5870      1.00000
     42     -12.5593      1.00000
     43     -12.1739      1.00000
     44     -11.5353      1.00000
     45     -11.4992      1.00000
     46     -11.2738      1.00000
     47     -11.2452      1.00000
     48     -11.1310      1.00000
     49     -10.7662      1.00000
     50     -10.6266      1.00000
     51     -10.4495      1.00000
     52     -10.2816      1.00000
     53     -10.2753      1.00000
     54     -10.1662      1.00000
     55     -10.0894      1.00000
     56     -10.0561      1.00000
     57      -9.8055      1.00000
     58      -9.7042      1.00000
     59      -9.6908      1.00000
     60      -9.6840      1.00000
     61      -9.6702      1.00000
     62      -9.6044      1.00000
     63      -9.3443      1.00000
     64      -9.3168      1.00000
     65      -9.2871      1.00000
     66      -8.9688      1.00000
     67      -8.9296      1.00000
     68      -8.8789      1.00000
     69      -8.7472      1.00000
     70      -8.5601      1.00000
     71      -8.4829      1.00000
     72      -8.4001      1.00000
     73      -8.3602      1.00000
     74      -8.2857      1.00000
     75      -8.2400      1.00000
     76      -8.2249      1.00000
     77      -8.2097      1.00000
     78      -8.1936      1.00000
     79      -7.9945      1.00000
     80      -7.7796      1.00000
     81      -7.4136      1.00000
     82      -7.3186      1.00000
     83      -7.2393      1.00000
     84      -7.1402      1.00000
     85      -7.0952      1.00000
     86      -6.9560      1.00000
     87      -6.9087      1.00000
     88      -6.5849      1.00000
     89      -6.5573      1.00000
     90      -6.4339      1.00000
     91      -6.2474      1.00000
     92      -5.9033      1.00000
     93      -5.8225      1.00000
     94      -5.6749      1.00000
     95      -5.5838      1.00000
     96      -5.2948      1.00000
     97      -5.2599      1.00000
     98      -5.1842      1.00000
     99      -5.1840      1.00000
    100      -5.1603      1.00000
    101      -4.5218      1.00000
    102      -4.4551      1.00000
    103      -4.3976      1.00000
    104      -4.0761      1.00000
    105      -3.9276      1.00000
    106      -3.5176      1.00000
    107      -2.8160      0.00000
    108      -1.8053      0.00000
    109      -1.7930      0.00000
    110      -1.0781      0.00000
    111      -1.0107      0.00000
    112      -0.9266      0.00000
    113      -0.6551      0.00000
    114      -0.6057      0.00000
    115      -0.5703      0.00000
    116      -0.5280      0.00000
    117       0.1597      0.00000
    118       0.2627      0.00000
    119       0.7117      0.00000
    120       0.9748      0.00000
    121       1.0952      0.00000
    122       1.2567      0.00000
    123       1.4268      0.00000
    124       1.5347      0.00000
    125       1.6027      0.00000
    126       1.6316      0.00000
    127       1.6492      0.00000
    128       1.8473      0.00000
    129       1.9403      0.00000
    130       2.1152      0.00000
    131       2.2129      0.00000
    132       2.3446      0.00000
    133       2.3739      0.00000
    134       2.4739      0.00000
    135       2.6046      0.00000
    136       2.6637      0.00000
    137       2.7446      0.00000
    138       2.7515      0.00000
    139       2.8571      0.00000
    140       2.9643      0.00000
    141       3.0562      0.00000
    142       3.0747      0.00000
    143       3.1944      0.00000
    144       3.2910      0.00000
    145       3.3371      0.00000
    146       3.3475      0.00000
    147       3.4798      0.00000
    148       3.5326      0.00000
    149       3.5644      0.00000
    150       3.6033      0.00000
    151       3.6207      0.00000
    152       3.6956      0.00000
    153       3.7374      0.00000
    154       3.7782      0.00000
    155       3.7866      0.00000
    156       3.8569      0.00000
    157       3.9318      0.00000
    158       4.0170      0.00000
    159       4.0402      0.00000
    160       4.2882      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0448   -6.8605    2.8568   -0.4770   -0.0180   17.1418    0.0975   -0.0750    0.1200   -0.2124
x    -3.1504   -0.0333   -0.0584    0.0253    0.0330   -3.0236    0.0206   -0.0018   -0.0001    0.0000
x    -0.0932   -0.0010    0.0020   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    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   -0.0034    0.0000    0.0010    0.0005    0.0034   -0.0984   -0.0409    0.0694    0.0111
y     0.0429   -3.2492   -0.0988    0.2021   -2.4426   -0.6648
z   204.0448    1.9877    0.0138   -0.0673    0.0182    0.0776   -0.0027   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0615    0.0082    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8196
z    -0.5090    0.0402    0.0745    0.1443   -0.0978   -0.0018
 total charge-density along one line
x   212.0000   -9.6878    4.7912   -1.2799   -0.2534   19.0820   -1.1256    1.0513   -0.6833    0.2216
x    -2.7488   -0.0175   -0.0409    0.0178    0.0339   -2.3072    0.0198    0.0019   -0.0030   -0.0008
x    -0.0822    0.0013   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6878    4.7912   -1.2799   -0.2534   19.0820   -1.1256    1.0513   -0.6833    0.2216
y    -2.7488   -0.0175   -0.0409    0.0178    0.0339   -2.3072    0.0198    0.0019   -0.0030   -0.0008
y    -0.0822    0.0013   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6777  189.4284 -169.4362  151.1857 -136.5197  123.8034 -110.3301   94.7261  -77.7585
z    61.4868  -47.7916   37.3922  -29.8064   23.9890  -19.0505   14.6156  -10.7424    7.6211   -5.3193
z     3.7153   -2.5865    1.7344   -1.0516    0.5106   -0.1140   -0.1448    0.2912   -0.3584    0.3750
z    -0.3625    0.3371   -0.3110    0.2901   -0.2723    0.2505   -0.2190    0.1787   -0.1369    0.1023
z    -0.0795    0.0671   -0.0595    0.0518   -0.0421    0.0320   -0.0237    0.0184   -0.0157    0.0141
z    -0.0126    0.0108   -0.0088    0.0069   -0.0052    0.0039   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.201   0.000   0.103   0.000   0.045   0.233   0.000  -0.012
  0.000 -11.300   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.233   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.201   0.000   0.103   0.000   0.045   0.233   0.000  -0.012
  0.000 -11.300   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.149  -0.005   0.000   0.007
  0.233   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.195   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.267   0.000   0.298   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.069   0.037   0.000  -0.053   0.000   0.000
  0.279   0.000  -0.267   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.110   0.321  -0.103   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.298   0.000   0.182  -0.122   0.000   0.428   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.170   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.195   0.000   0.158   0.000   0.063  -0.110   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.069   0.321   0.000   0.148   0.000  -0.178   1.140  -0.353   0.000  -0.139   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.103   0.000  -0.138   0.000   0.061  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.175  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.139   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.175   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.007   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.783
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.644
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.784   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.776   0.000   2.640
 17        0.849   1.732   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.768   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.864   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.864   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.768   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.784   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.581
 42        0.865   1.776   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.644
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.792  89.407   7.854 142.054
 


 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  114.00: CPU time   57.71
    FORLOC:  VPU time    1.25: CPU time    1.26
    FORNL :  VPU time  440.37: CPU time  221.05
    STRESS:  VPU time 1347.12: CPU time  677.22
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.26: CPU time    2.26
    MIXING:  VPU time    0.17: CPU time    0.18
 d Force = 0.9182097E-06[ 0.579E-06, 0.126E-05]  d Energy = 0.1163045E-05-0.245E-06
 d Force =-0.2930219E-02[-0.293E-02,-0.293E-02]  d Ewald  = 0.4401903E-01-0.469E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648666 eV

  energy  without entropy=     -469.648666  energy(sigma->0) =     -469.648666
 

  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    40937.00  40982.54 -47642.95     39.44      0.00      0.00
  Hartree  40395.29  40420.06 -39643.82     21.45      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.30      0.00      0.00
  Local   -83623.14 -83690.90  84599.41    -58.68      0.00      0.00
  n-local   -214.74   -206.83   -206.59      5.96      0.00      0.00
  augment     21.81     19.28     20.59     -2.20      0.00      0.00
  Kinetic   3165.48   3163.63   3585.98     -8.05      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.43     -0.37     -0.42      0.06      0.00      0.00
  in kB       -0.26     -0.22     -0.26      0.04      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342063495 -0.001669734  0.000000000     0.081030059  0.046797413  0.000000000
    -6.172484419 10.687701484  0.000000000     0.000012659  0.093572799  0.000000000
     0.000000000  0.000000000 20.000774347     0.000000000  0.000000000  0.049998064

  length of vectors
    12.342063608 12.342063317 20.000774347     0.093572797  0.093572800  0.049998064


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.849E-05 -.311E-04 -.110E+04   0.446E-05 -.262E-04 0.110E+04   -.169E-20 0.339E-20 0.368E+01   0.238E-07 -.144E-07 0.111E-02
   -.268E+02 -.463E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.197E+00   -.393E-04 -.704E-04 0.708E-04
   0.268E+02 0.463E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.197E+00   0.393E-04 0.704E-04 0.708E-04
   -.208E+01 0.120E+01 0.308E+02   0.203E+01 -.117E+01 -.308E+02   0.526E-01 -.303E-01 0.662E-02   0.136E-03 -.813E-04 0.260E-05
   0.657E+01 0.657E+01 0.343E+02   -.653E+01 -.656E+01 -.343E+02   -.323E-01 -.132E-01 -.428E-01   0.207E-03 -.167E-03 0.388E-05
   0.118E+02 0.585E+01 0.251E+02   -.117E+02 -.587E+01 -.250E+02   -.556E-01 0.187E-01 -.119E+00   0.135E-03 0.228E-04 0.466E-04
   0.432E+01 -.110E+01 0.209E+02   -.432E+01 0.111E+01 -.209E+02   -.152E-02 -.309E-02 0.166E-01   0.165E-03 -.848E-04 0.619E-04
   -.285E+01 -.259E+01 0.220E+02   0.285E+01 0.257E+01 -.221E+02   -.368E-02 0.179E-01 0.195E-01   0.218E-03 -.176E-03 0.587E-04
   0.813E+00 0.376E+01 0.220E+02   -.798E+00 -.376E+01 -.221E+02   -.174E-01 -.578E-02 0.195E-01   0.256E-03 -.107E-03 0.530E-04
   0.290E+01 0.187E+02 0.369E+02   -.293E+01 -.186E+02 -.369E+02   0.335E-01 -.212E-01 -.226E-01   0.206E-03 -.375E-04 0.733E-05
   0.204E+02 0.223E+02 0.461E+02   -.204E+02 -.225E+02 -.458E+02   0.153E-02 0.115E+00 -.325E+00   0.641E-04 -.146E-03 -.846E-04
   0.274E+02 -.584E+01 0.229E+02   -.275E+02 0.590E+01 -.229E+02   0.906E-01 -.601E-01 0.751E-02   0.135E-03 -.336E-04 0.657E-04
   0.971E+01 -.561E+01 0.157E+02   -.965E+01 0.557E+01 -.157E+02   -.566E-01 0.327E-01 0.454E-01   0.257E-03 -.154E-03 0.104E-03
   0.311E+01 -.319E+01 0.209E+02   -.312E+01 0.319E+01 -.209E+02   0.192E-02 0.286E-02 0.166E-01   0.154E-03 -.104E-03 0.493E-04
   -.693E+01 0.128E+02 0.240E+02   0.690E+01 -.128E+02 -.240E+02   0.225E-01 -.360E-02 0.181E-01   0.208E-03 -.999E-04 0.413E-04
   -.134E+02 0.311E+02 0.321E+02   0.133E+02 -.315E+02 -.323E+02   0.109E+00 0.440E+00 0.278E+00   0.351E-03 -.718E-04 -.425E-04
   0.341E+02 -.197E+02 0.945E+01   -.352E+02 0.204E+02 -.118E+02   0.114E+01 -.660E+00 0.233E+01   0.822E-04 -.504E-04 0.965E-04
   0.188E+02 -.208E+02 0.229E+02   -.189E+02 0.209E+02 -.229E+02   0.973E-01 -.484E-01 0.751E-02   0.947E-04 -.108E-03 0.586E-04
   0.808E+00 -.131E+02 0.251E+02   -.766E+00 0.131E+02 -.250E+02   -.440E-01 0.388E-01 -.119E+00   0.502E-04 -.129E-03 0.382E-04
   -.403E+01 0.102E+01 0.174E+02   0.404E+01 -.104E+01 -.173E+02   -.542E-02 0.177E-01 -.827E-01   0.827E-04 -.103E-03 0.649E-04
   -.182E+02 0.105E+02 0.129E+02   0.182E+02 -.105E+02 -.126E+02   0.624E-02 -.360E-02 -.249E+00   0.213E-03 -.120E-03 0.856E-04
   -.336E+02 -.388E+01 0.321E+02   0.339E+02 0.419E+01 -.323E+02   -.327E+00 -.314E+00 0.278E+00   0.241E-03 -.268E-03 -.379E-04
   -.913E+01 -.289E+02 0.461E+02   0.923E+01 0.289E+02 -.458E+02   -.987E-01 -.588E-01 -.325E+00   0.162E-03 0.131E-04 -.873E-04
   -.241E+01 -.897E+01 0.343E+02   0.242E+01 0.894E+01 -.343E+02   -.471E-02 0.346E-01 -.428E-01   0.250E-03 -.975E-04 0.270E-05
   0.120E+01 -.690E+00 0.238E+02   -.118E+01 0.682E+00 -.238E+02   -.174E-01 0.100E-01 -.625E-01   0.140E-03 -.792E-04 0.260E-04
   -.290E+01 0.298E+01 0.174E+02   0.292E+01 -.297E+01 -.173E+02   -.180E-01 -.416E-02 -.827E-01   0.132E-03 -.163E-04 0.722E-04
   -.146E+02 -.420E+00 0.240E+02   0.146E+02 0.440E+00 -.240E+02   0.144E-01 -.177E-01 0.181E-01   0.192E-03 -.131E-03 0.528E-04
   -.147E+02 -.118E+02 0.369E+02   0.147E+02 0.119E+02 -.369E+02   0.351E-01 -.184E-01 -.226E-01   0.137E-03 -.164E-03 0.119E-04
   0.241E+01 0.897E+01 0.343E+02   -.242E+01 -.894E+01 -.343E+02   0.471E-02 -.346E-01 -.428E-01   -.250E-03 0.975E-04 0.270E-05
   0.147E+02 0.118E+02 0.369E+02   -.147E+02 -.119E+02 -.369E+02   -.351E-01 0.184E-01 -.226E-01   -.137E-03 0.164E-03 0.119E-04
   0.146E+02 0.420E+00 0.240E+02   -.146E+02 -.440E+00 -.240E+02   -.144E-01 0.177E-01 0.181E-01   -.192E-03 0.131E-03 0.528E-04
   0.290E+01 -.298E+01 0.174E+02   -.292E+01 0.297E+01 -.173E+02   0.180E-01 0.416E-02 -.827E-01   -.132E-03 0.163E-04 0.722E-04
   -.120E+01 0.691E+00 0.238E+02   0.118E+01 -.682E+00 -.238E+02   0.174E-01 -.100E-01 -.625E-01   -.140E-03 0.792E-04 0.260E-04
   -.808E+00 0.131E+02 0.251E+02   0.766E+00 -.131E+02 -.250E+02   0.440E-01 -.388E-01 -.119E+00   -.502E-04 0.129E-03 0.382E-04
   0.913E+01 0.289E+02 0.461E+02   -.923E+01 -.289E+02 -.458E+02   0.987E-01 0.588E-01 -.325E+00   -.162E-03 -.131E-04 -.873E-04
   0.336E+02 0.388E+01 0.321E+02   -.339E+02 -.419E+01 -.323E+02   0.327E+00 0.314E+00 0.278E+00   -.241E-03 0.268E-03 -.379E-04
   0.182E+02 -.105E+02 0.129E+02   -.182E+02 0.105E+02 -.126E+02   -.624E-02 0.360E-02 -.249E+00   -.213E-03 0.120E-03 0.856E-04
   0.403E+01 -.102E+01 0.174E+02   -.404E+01 0.104E+01 -.173E+02   0.542E-02 -.177E-01 -.827E-01   -.827E-04 0.103E-03 0.649E-04
   -.311E+01 0.319E+01 0.209E+02   0.312E+01 -.319E+01 -.209E+02   -.192E-02 -.286E-02 0.166E-01   -.154E-03 0.104E-03 0.493E-04
   -.188E+02 0.208E+02 0.229E+02   0.189E+02 -.209E+02 -.229E+02   -.973E-01 0.484E-01 0.751E-02   -.947E-04 0.108E-03 0.586E-04
   -.341E+02 0.197E+02 0.945E+01   0.352E+02 -.204E+02 -.118E+02   -.114E+01 0.660E+00 0.233E+01   -.822E-04 0.504E-04 0.965E-04
   0.134E+02 -.311E+02 0.321E+02   -.133E+02 0.315E+02 -.323E+02   -.109E+00 -.440E+00 0.278E+00   -.351E-03 0.718E-04 -.425E-04
   0.693E+01 -.128E+02 0.240E+02   -.690E+01 0.128E+02 -.240E+02   -.225E-01 0.360E-02 0.181E-01   -.208E-03 0.999E-04 0.413E-04
   -.813E+00 -.376E+01 0.220E+02   0.798E+00 0.376E+01 -.221E+02   0.174E-01 0.578E-02 0.195E-01   -.256E-03 0.107E-03 0.530E-04
   -.971E+01 0.561E+01 0.157E+02   0.965E+01 -.557E+01 -.157E+02   0.566E-01 -.327E-01 0.454E-01   -.257E-03 0.154E-03 0.104E-03
   -.274E+02 0.584E+01 0.229E+02   0.275E+02 -.590E+01 -.229E+02   -.906E-01 0.601E-01 0.751E-02   -.135E-03 0.336E-04 0.657E-04
   -.204E+02 -.223E+02 0.461E+02   0.204E+02 0.225E+02 -.458E+02   -.153E-02 -.115E+00 -.325E+00   -.641E-04 0.146E-03 -.846E-04
   -.290E+01 -.187E+02 0.369E+02   0.293E+01 0.186E+02 -.369E+02   -.335E-01 0.212E-01 -.226E-01   -.206E-03 0.375E-04 0.733E-05
   0.208E+01 -.120E+01 0.308E+02   -.203E+01 0.117E+01 -.308E+02   -.526E-01 0.303E-01 0.662E-02   -.136E-03 0.813E-04 0.260E-05
   0.285E+01 0.259E+01 0.220E+02   -.285E+01 -.257E+01 -.221E+02   0.368E-02 -.179E-01 0.195E-01   -.218E-03 0.176E-03 0.587E-04
   -.432E+01 0.110E+01 0.209E+02   0.432E+01 -.111E+01 -.209E+02   0.152E-02 0.309E-02 0.166E-01   -.165E-03 0.848E-04 0.619E-04
   -.118E+02 -.585E+01 0.251E+02   0.117E+02 0.587E+01 -.250E+02   0.556E-01 -.187E-01 -.119E+00   -.135E-03 -.228E-04 0.466E-04
   -.657E+01 -.657E+01 0.343E+02   0.653E+01 0.656E+01 -.343E+02   0.323E-01 0.132E-01 -.428E-01   -.207E-03 0.167E-03 0.388E-05
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.338E-03 -.639E+01   0.187E-12 -.711E-14 -.206E-12   0.569E-15 -.213E-15 0.641E+01   0.266E-07 -.166E-07 0.275E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85049      6.05564     12.41237         0.000000      0.000000     -0.002752
      2.67789      7.48874     12.52507         0.000914      0.001582     -0.013977
      1.02308      4.62254     12.52507        -0.000914     -0.001582     -0.013977
     12.34161     -0.00141      9.88018         0.000796     -0.000460      0.000481
     -1.23340      2.13850      9.88550         0.002267     -0.002858     -0.000360
     -2.46924      4.27610      9.93408        -0.004313      0.000642     -0.001013
      8.63810      6.41076      9.94342        -0.003726      0.004979     -0.000398
     -4.93632      8.54965      9.91986        -0.001198      0.001376     -0.002255
     -3.70279     10.68618      9.91986        -0.001790      0.000350     -0.002255
      1.23521      2.14008      9.92571         0.000524      0.005769     -0.000658
     -0.00378      4.27859     10.00861        -0.005506     -0.004441      0.003822
     -1.23883      6.41024     10.03613        -0.003120      0.001214      0.000696
     -2.46665      8.54814      9.96844         0.002035     -0.001175     -0.001979
      4.93676     -0.00017      9.94342        -0.006175      0.000737     -0.000398
      3.70243      2.13366      9.96233        -0.001598     -0.002158     -0.001109
      2.47194      4.25335     10.12959         0.002426      0.003337      0.009924
      1.21380      6.42323     10.35724         0.002769     -0.001598      0.007189
     -0.00127      8.55377     10.03613        -0.002611      0.002095      0.000696
      1.23175     10.68641      9.93408        -0.002712      0.003414     -0.001013
      6.17043      2.13589      9.94425        -0.003563     -0.002453     -0.002783
      4.93882      4.27259     10.02877         0.002802     -0.001618     -0.002294
      3.72204      6.41859     10.12959        -0.001677     -0.003769      0.009924
      2.46232      8.55001     10.00861         0.001093      0.006989      0.003822
      3.70089     10.68493      9.88550         0.003608     -0.000534     -0.000360
      8.63869      2.13647      9.90260        -0.002130      0.001230      0.000224
      7.40506      4.27433      9.94425         0.000343      0.004312     -0.002783
      6.17300      6.41281      9.96233         0.001070      0.002463     -0.001109
      4.93382      8.54627      9.92571        -0.004734     -0.003338     -0.000658
      0.00008      1.42635      9.88550        -0.003608      0.000534     -0.000360
     -1.23285      3.56502      9.92571         0.004734      0.003338     -0.000658
     -2.47202      5.69848      9.96233        -0.001070     -0.002463     -0.001109
     -3.70409      7.83695      9.94425        -0.000343     -0.004312     -0.002783
     -4.93771      9.97481      9.90260         0.002130     -0.001230      0.000224
      2.46923      1.42488      9.93408         0.002712     -0.003414     -0.001013
      1.23865      3.56128     10.00861        -0.001093     -0.006989      0.003822
     -0.02107      5.69269     10.12959         0.001677      0.003769      0.009924
     -1.23785      7.83869     10.02877        -0.002802      0.001618     -0.002294
     -2.46946      9.97539      9.94425         0.003563      0.002453     -0.002783
      4.93670      1.42375      9.94342         0.006175     -0.000737     -0.000398
      3.70224      3.55752     10.03613         0.002611     -0.002095      0.000696
      2.48718      5.68805     10.35724        -0.002769      0.001598      0.007189
      1.22903      7.85793     10.12959        -0.002426     -0.003337      0.009924
     -0.00146      9.97762      9.96233         0.001598      0.002158     -0.001109
      7.40376      1.42510      9.91986         0.001790     -0.000350     -0.002255
      6.16763      3.56314      9.96844        -0.002035      0.001175     -0.001979
      4.93980      5.70104     10.03613         0.003120     -0.001214      0.000696
      3.70475      7.83269     10.00861         0.005506      0.004441      0.003822
      2.46576      9.97120      9.92571        -0.000524     -0.005769     -0.000658
      9.87391      1.42332      9.88018        -0.000796      0.000460      0.000481
      8.63729      3.56164      9.91986         0.001198     -0.001376     -0.002255
      7.40493      5.69885      9.94342         0.003726     -0.004979     -0.000398
      6.17022      7.83518      9.93408         0.004313     -0.000642     -0.001013
      4.93437      9.97278      9.88550        -0.002267      0.002858     -0.000360
 -----------------------------------------------------------------------------------
    total drift:                               -0.001838      0.000338      0.022931


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




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


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.35
    ORTHCH:  VPU time  183.05: CPU time   91.93
     LOOP+:  VPU time 5059.49: CPU time 2600.74


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


    POTLOK:  VPU time    9.21: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1823.74: CPU time  947.11
 BZINTS: Fermi energy: -3.248071;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.34: CPU time   56.71
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1945.86: CPU time 1013.42

 eigenvalue-minimisations  :  6016
 total energy-change (2. order) :-0.4696487E+03  (-0.7803091E-03)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9549802 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.16329E-02    rms(broyden)= 0.16306E-02
  rms(prec ) = 0.17589E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.28122168
  -1/2 Hartree   DENC   =    -41170.34398922
  -V(xc)+E(xc)   XCENC  =       726.33907654
  PAW double counting   =      4067.93289534    -4106.58531591
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.71244327
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64870124 eV

  energy without entropy =     -469.64870124  energy(sigma->0) =     -469.64870124


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




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


    POTLOK:  VPU time    8.54: CPU time    8.54
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1378.00: CPU time  713.85
 BZINTS: Fermi energy: -3.247338;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1386.90: CPU time  722.71

 eigenvalue-minimisations  :  4048
 total energy-change (2. order) :-0.3332354E-05  (-0.1181527E-04)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9549802 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.28122168
  -1/2 Hartree   DENC   =    -41170.31587462
  -V(xc)+E(xc)   XCENC  =       726.33759037
  PAW double counting   =      4067.89675246    -4106.54927725
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.73897082
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64870457 eV

  energy without entropy =     -469.64870457  energy(sigma->0) =     -469.64870457


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




 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 -59.0100       2 -37.4836       3 -37.4836       4 -58.3175       5 -58.2920
       6 -58.3046       7 -58.3029       8 -58.3114       9 -58.3114      10 -58.2853
      11 -58.3227      12 -58.2799      13 -58.3227      14 -58.3029      15 -58.3008
      16 -58.3960      17 -58.9691      18 -58.2799      19 -58.3046      20 -58.3070
      21 -58.2936      22 -58.3960      23 -58.3227      24 -58.2920      25 -58.3281
      26 -58.3070      27 -58.3008      28 -58.2853      29 -58.2919      30 -58.2852
      31 -58.3007      32 -58.3069      33 -58.3279      34 -58.3045      35 -58.3226
      36 -58.3959      37 -58.2935      38 -58.3069      39 -58.3028      40 -58.2797
      41 -58.9690      42 -58.3960      43 -58.3007      44 -58.3113      45 -58.3226
      46 -58.2798      47 -58.3226      48 -58.2852      49 -58.3174      50 -58.3112
      51 -58.3028      52 -58.3045      53 -58.2919
 
 
 
 E-fermi :  -3.2473     XC(G=0):  -2.3470     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3714      1.00000
      2     -21.5026      1.00000
      3     -21.4304      1.00000
      4     -21.4297      1.00000
      5     -21.4171      1.00000
      6     -21.4068      1.00000
      7     -21.4040      1.00000
      8     -19.6647      1.00000
      9     -19.5961      1.00000
     10     -19.5916      1.00000
     11     -19.5786      1.00000
     12     -19.5680      1.00000
     13     -19.5646      1.00000
     14     -18.7649      1.00000
     15     -18.7028      1.00000
     16     -18.6947      1.00000
     17     -18.6820      1.00000
     18     -18.6730      1.00000
     19     -18.6695      1.00000
     20     -16.6291      1.00000
     21     -16.5477      1.00000
     22     -16.5439      1.00000
     23     -16.5343      1.00000
     24     -16.5257      1.00000
     25     -16.5226      1.00000
     26     -15.6076      1.00000
     27     -15.5646      1.00000
     28     -15.5229      1.00000
     29     -15.5205      1.00000
     30     -15.5180      1.00000
     31     -15.5143      1.00000
     32     -14.2556      1.00000
     33     -14.2197      1.00000
     34     -14.1944      1.00000
     35     -14.1930      1.00000
     36     -14.1745      1.00000
     37     -14.1705      1.00000
     38     -11.9843      1.00000
     39     -11.8719      1.00000
     40     -11.8236      1.00000
     41     -11.8079      1.00000
     42     -11.8072      1.00000
     43     -11.8012      1.00000
     44     -11.7293      1.00000
     45     -11.7202      1.00000
     46     -11.7061      1.00000
     47     -11.6978      1.00000
     48     -11.6863      1.00000
     49     -11.6821      1.00000
     50     -10.6433      1.00000
     51     -10.3742      1.00000
     52     -10.3561      1.00000
     53     -10.3369      1.00000
     54     -10.3272      1.00000
     55     -10.3189      1.00000
     56     -10.2946      1.00000
     57      -9.7905      1.00000
     58      -9.4107      1.00000
     59      -9.3894      1.00000
     60      -9.3524      1.00000
     61      -9.3413      1.00000
     62      -9.3328      1.00000
     63      -9.1763      1.00000
     64      -9.0757      1.00000
     65      -9.0743      1.00000
     66      -9.0626      1.00000
     67      -9.0611      1.00000
     68      -9.0323      1.00000
     69      -9.0258      1.00000
     70      -9.0256      1.00000
     71      -9.0139      1.00000
     72      -9.0034      1.00000
     73      -8.9948      1.00000
     74      -8.9715      1.00000
     75      -7.9883      1.00000
     76      -7.7005      1.00000
     77      -7.5048      1.00000
     78      -7.4848      1.00000
     79      -7.4581      1.00000
     80      -7.4123      1.00000
     81      -7.3972      1.00000
     82      -7.3758      1.00000
     83      -7.3479      1.00000
     84      -7.2230      1.00000
     85      -7.1817      1.00000
     86      -7.1771      1.00000
     87      -7.1731      1.00000
     88      -6.6139      1.00000
     89      -6.5768      1.00000
     90      -6.3649      1.00000
     91      -6.3557      1.00000
     92      -6.3168      1.00000
     93      -6.2933      1.00000
     94      -5.9445      1.00000
     95      -5.8912      1.00000
     96      -5.3611      1.00000
     97      -5.1925      1.00000
     98      -4.8387      1.00000
     99      -4.7159      1.00000
    100      -4.3632      1.00000
    101      -4.3571      1.00000
    102      -4.3463      1.00000
    103      -4.3348      1.00000
    104      -4.1679      1.00000
    105      -3.9326      1.00000
    106      -3.5938      1.00000
    107      -2.9212      0.00000
    108      -1.5529      0.00000
    109      -1.5490      0.00000
    110      -1.5366      0.00000
    111      -1.5357      0.00000
    112      -1.4798      0.00000
    113      -1.4633      0.00000
    114       0.0772      0.00000
    115       0.2360      0.00000
    116       0.2812      0.00000
    117       0.3023      0.00000
    118       0.3074      0.00000
    119       0.3745      0.00000
    120       0.6154      0.00000
    121       1.2678      0.00000
    122       1.3713      0.00000
    123       1.7027      0.00000
    124       1.7564      0.00000
    125       1.7853      0.00000
    126       1.7904      0.00000
    127       1.8528      0.00000
    128       1.8738      0.00000
    129       2.0005      0.00000
    130       2.0049      0.00000
    131       2.0174      0.00000
    132       2.0223      0.00000
    133       2.0245      0.00000
    134       2.0869      0.00000
    135       2.3170      0.00000
    136       2.4644      0.00000
    137       2.5766      0.00000
    138       2.6037      0.00000
    139       2.6393      0.00000
    140       2.7387      0.00000
    141       2.8513      0.00000
    142       3.0384      0.00000
    143       3.0590      0.00000
    144       3.0739      0.00000
    145       3.0834      0.00000
    146       3.0918      0.00000
    147       3.0985      0.00000
    148       3.4486      0.00000
    149       3.5439      0.00000
    150       3.5902      0.00000
    151       3.9269      0.00000
    152       3.9407      0.00000
    153       3.9470      0.00000
    154       3.9618      0.00000
    155       3.9805      0.00000
    156       4.0517      0.00000
    157       4.1597      0.00000
    158       4.2070      0.00000
    159       4.2576      0.00000
    160       4.2684      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3339      1.00000
      2     -21.7713      1.00000
      3     -21.5966      1.00000
      4     -21.5668      1.00000
      5     -21.2214      1.00000
      6     -21.1940      1.00000
      7     -21.0199      1.00000
      8     -20.1187      1.00000
      9     -20.0870      1.00000
     10     -19.5717      1.00000
     11     -19.5444      1.00000
     12     -19.3776      1.00000
     13     -19.0495      1.00000
     14     -19.0190      1.00000
     15     -19.0040      1.00000
     16     -18.9941      1.00000
     17     -18.3277      1.00000
     18     -18.3034      1.00000
     19     -17.9807      1.00000
     20     -17.0342      1.00000
     21     -16.9838      1.00000
     22     -16.9169      1.00000
     23     -16.8982      1.00000
     24     -16.4367      1.00000
     25     -16.4148      1.00000
     26     -15.5897      1.00000
     27     -15.5568      1.00000
     28     -15.2348      1.00000
     29     -15.1947      1.00000
     30     -15.1315      1.00000
     31     -15.0573      1.00000
     32     -15.0284      1.00000
     33     -14.6690      1.00000
     34     -14.6499      1.00000
     35     -13.7058      1.00000
     36     -13.6796      1.00000
     37     -13.2011      1.00000
     38     -12.5976      1.00000
     39     -12.5404      1.00000
     40     -12.4191      1.00000
     41     -12.4024      1.00000
     42     -12.1098      1.00000
     43     -12.0679      1.00000
     44     -11.6959      1.00000
     45     -11.6471      1.00000
     46     -11.2338      1.00000
     47     -11.1892      1.00000
     48     -11.0074      1.00000
     49     -10.9704      1.00000
     50     -10.9091      1.00000
     51     -10.8655      1.00000
     52     -10.5294      1.00000
     53     -10.1277      1.00000
     54     -10.1214      1.00000
     55     -10.0801      1.00000
     56      -9.9180      1.00000
     57      -9.7068      1.00000
     58      -9.6692      1.00000
     59      -9.6115      1.00000
     60      -9.5822      1.00000
     61      -9.5432      1.00000
     62      -9.4790      1.00000
     63      -9.2947      1.00000
     64      -9.2762      1.00000
     65      -9.2286      1.00000
     66      -9.1750      1.00000
     67      -9.1098      1.00000
     68      -9.0750      1.00000
     69      -9.0644      1.00000
     70      -8.9047      1.00000
     71      -8.8458      1.00000
     72      -8.6023      1.00000
     73      -8.5658      1.00000
     74      -8.1224      1.00000
     75      -8.0441      1.00000
     76      -7.9500      1.00000
     77      -7.8299      1.00000
     78      -7.7915      1.00000
     79      -7.7278      1.00000
     80      -7.6929      1.00000
     81      -7.3480      1.00000
     82      -7.3336      1.00000
     83      -7.3267      1.00000
     84      -7.2688      1.00000
     85      -7.0653      1.00000
     86      -6.9816      1.00000
     87      -6.8251      1.00000
     88      -6.7502      1.00000
     89      -6.6418      1.00000
     90      -6.5640      1.00000
     91      -6.1380      1.00000
     92      -6.1036      1.00000
     93      -6.0931      1.00000
     94      -5.9657      1.00000
     95      -5.7339      1.00000
     96      -5.3971      1.00000
     97      -5.2072      1.00000
     98      -4.9388      1.00000
     99      -4.7987      1.00000
    100      -4.6379      1.00000
    101      -4.5375      1.00000
    102      -4.4855      1.00000
    103      -4.3643      1.00000
    104      -4.0445      1.00000
    105      -3.8141      1.00000
    106      -3.5709      1.00000
    107      -2.9433      0.00000
    108      -1.7184      0.00000
    109      -1.6754      0.00000
    110      -1.2930      0.00000
    111      -1.2721      0.00000
    112      -1.2444      0.00000
    113      -1.2133      0.00000
    114      -0.5597      0.00000
    115      -0.1913      0.00000
    116      -0.1697      0.00000
    117       0.6301      0.00000
    118       0.6780      0.00000
    119       0.7263      0.00000
    120       0.9858      0.00000
    121       1.1174      0.00000
    122       1.2409      0.00000
    123       1.3425      0.00000
    124       1.4481      0.00000
    125       1.4975      0.00000
    126       1.7432      0.00000
    127       1.7647      0.00000
    128       1.7999      0.00000
    129       1.8567      0.00000
    130       1.9512      0.00000
    131       2.1729      0.00000
    132       2.2132      0.00000
    133       2.2664      0.00000
    134       2.4301      0.00000
    135       2.5086      0.00000
    136       2.6166      0.00000
    137       2.6912      0.00000
    138       2.6971      0.00000
    139       2.7813      0.00000
    140       2.8052      0.00000
    141       2.8561      0.00000
    142       2.8594      0.00000
    143       2.9965      0.00000
    144       3.0675      0.00000
    145       3.2750      0.00000
    146       3.3621      0.00000
    147       3.3729      0.00000
    148       3.4458      0.00000
    149       3.5295      0.00000
    150       3.5905      0.00000
    151       3.6548      0.00000
    152       3.7263      0.00000
    153       3.7668      0.00000
    154       3.9341      0.00000
    155       3.9593      0.00000
    156       4.0447      0.00000
    157       4.0851      0.00000
    158       4.1664      0.00000
    159       4.2453      0.00000
    160       4.2723      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2222      1.00000
      2     -22.0308      1.00000
      3     -21.6710      1.00000
      4     -21.6417      1.00000
      5     -20.9274      1.00000
      6     -20.8971      1.00000
      7     -20.5671      1.00000
      8     -20.5324      1.00000
      9     -20.5239      1.00000
     10     -19.9909      1.00000
     11     -19.4660      1.00000
     12     -19.4365      1.00000
     13     -19.2741      1.00000
     14     -19.2536      1.00000
     15     -18.4050      1.00000
     16     -18.3678      1.00000
     17     -17.8951      1.00000
     18     -17.8647      1.00000
     19     -17.7164      1.00000
     20     -17.6825      1.00000
     21     -17.4075      1.00000
     22     -17.3828      1.00000
     23     -17.3044      1.00000
     24     -16.4322      1.00000
     25     -16.4121      1.00000
     26     -15.9170      1.00000
     27     -15.3889      1.00000
     28     -15.3589      1.00000
     29     -15.0726      1.00000
     30     -15.0451      1.00000
     31     -14.8371      1.00000
     32     -14.8028      1.00000
     33     -14.2529      1.00000
     34     -14.2149      1.00000
     35     -13.4111      1.00000
     36     -13.3612      1.00000
     37     -13.1599      1.00000
     38     -13.1302      1.00000
     39     -12.9359      1.00000
     40     -12.9259      1.00000
     41     -12.6023      1.00000
     42     -12.5699      1.00000
     43     -12.1688      1.00000
     44     -11.5630      1.00000
     45     -11.5029      1.00000
     46     -11.3004      1.00000
     47     -11.2496      1.00000
     48     -11.1203      1.00000
     49     -10.6810      1.00000
     50     -10.6327      1.00000
     51     -10.4472      1.00000
     52     -10.2866      1.00000
     53     -10.2747      1.00000
     54     -10.1599      1.00000
     55     -10.0842      1.00000
     56     -10.0699      1.00000
     57      -9.7884      1.00000
     58      -9.7380      1.00000
     59      -9.6944      1.00000
     60      -9.6735      1.00000
     61      -9.6593      1.00000
     62      -9.5976      1.00000
     63      -9.3375      1.00000
     64      -9.3202      1.00000
     65      -9.2868      1.00000
     66      -9.0293      1.00000
     67      -8.9318      1.00000
     68      -8.8417      1.00000
     69      -8.7610      1.00000
     70      -8.5916      1.00000
     71      -8.4952      1.00000
     72      -8.3697      1.00000
     73      -8.3631      1.00000
     74      -8.3031      1.00000
     75      -8.2437      1.00000
     76      -8.2421      1.00000
     77      -8.2230      1.00000
     78      -8.1956      1.00000
     79      -7.8743      1.00000
     80      -7.7445      1.00000
     81      -7.3703      1.00000
     82      -7.3143      1.00000
     83      -7.2984      1.00000
     84      -7.2068      1.00000
     85      -7.1795      1.00000
     86      -6.9493      1.00000
     87      -6.9308      1.00000
     88      -6.5927      1.00000
     89      -6.5385      1.00000
     90      -6.2648      1.00000
     91      -6.2009      1.00000
     92      -5.9816      1.00000
     93      -5.8150      1.00000
     94      -5.6687      1.00000
     95      -5.5136      1.00000
     96      -5.3305      1.00000
     97      -5.3051      1.00000
     98      -5.1922      1.00000
     99      -5.1896      1.00000
    100      -5.1074      1.00000
    101      -4.6898      1.00000
    102      -4.5498      1.00000
    103      -4.4513      1.00000
    104      -3.9146      1.00000
    105      -3.7072      1.00000
    106      -3.5365      1.00000
    107      -2.9655      0.00000
    108      -1.8170      0.00000
    109      -1.7618      0.00000
    110      -1.0854      0.00000
    111      -0.9715      0.00000
    112      -0.9413      0.00000
    113      -0.6473      0.00000
    114      -0.6052      0.00000
    115      -0.5683      0.00000
    116      -0.5313      0.00000
    117       0.1757      0.00000
    118       0.2575      0.00000
    119       0.7908      0.00000
    120       1.0073      0.00000
    121       1.1151      0.00000
    122       1.1683      0.00000
    123       1.3574      0.00000
    124       1.4813      0.00000
    125       1.5915      0.00000
    126       1.5962      0.00000
    127       1.6888      0.00000
    128       1.9111      0.00000
    129       1.9530      0.00000
    130       2.0316      0.00000
    131       2.1931      0.00000
    132       2.3443      0.00000
    133       2.3897      0.00000
    134       2.4133      0.00000
    135       2.6019      0.00000
    136       2.6872      0.00000
    137       2.7453      0.00000
    138       2.7798      0.00000
    139       2.8444      0.00000
    140       3.0067      0.00000
    141       3.0540      0.00000
    142       3.0890      0.00000
    143       3.1402      0.00000
    144       3.2629      0.00000
    145       3.3310      0.00000
    146       3.3959      0.00000
    147       3.4606      0.00000
    148       3.5432      0.00000
    149       3.5799      0.00000
    150       3.6047      0.00000
    151       3.6831      0.00000
    152       3.7084      0.00000
    153       3.7711      0.00000
    154       3.7904      0.00000
    155       3.7984      0.00000
    156       3.9424      0.00000
    157       3.9490      0.00000
    158       4.0390      0.00000
    159       4.1980      0.00000
    160       4.2629      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2592      1.00000
      2     -21.8877      1.00000
      3     -21.8752      1.00000
      4     -21.3265      1.00000
      5     -21.3144      1.00000
      6     -20.7705      1.00000
      7     -20.7558      1.00000
      8     -20.5781      1.00000
      9     -20.0296      1.00000
     10     -20.0274      1.00000
     11     -19.6714      1.00000
     12     -19.6567      1.00000
     13     -18.9482      1.00000
     14     -18.9480      1.00000
     15     -18.5929      1.00000
     16     -18.5927      1.00000
     17     -18.4177      1.00000
     18     -17.6424      1.00000
     19     -17.5869      1.00000
     20     -17.5646      1.00000
     21     -17.5599      1.00000
     22     -17.0733      1.00000
     23     -17.0724      1.00000
     24     -16.9202      1.00000
     25     -15.9536      1.00000
     26     -15.9040      1.00000
     27     -15.5474      1.00000
     28     -15.5309      1.00000
     29     -15.2679      1.00000
     30     -14.8168      1.00000
     31     -14.7944      1.00000
     32     -14.5404      1.00000
     33     -14.5099      1.00000
     34     -14.1315      1.00000
     35     -14.1274      1.00000
     36     -13.1046      1.00000
     37     -13.0407      1.00000
     38     -13.0179      1.00000
     39     -12.9862      1.00000
     40     -12.6757      1.00000
     41     -12.6733      1.00000
     42     -12.2878      1.00000
     43     -12.2812      1.00000
     44     -11.6529      1.00000
     45     -11.5995      1.00000
     46     -11.5394      1.00000
     47     -10.9402      1.00000
     48     -10.8910      1.00000
     49     -10.6373      1.00000
     50     -10.5958      1.00000
     51     -10.4748      1.00000
     52     -10.4641      1.00000
     53     -10.4056      1.00000
     54     -10.4028      1.00000
     55     -10.3140      1.00000
     56     -10.0392      1.00000
     57      -9.8756      1.00000
     58      -9.5840      1.00000
     59      -9.5209      1.00000
     60      -9.5025      1.00000
     61      -9.3783      1.00000
     62      -9.3704      1.00000
     63      -9.3399      1.00000
     64      -9.2942      1.00000
     65      -9.2415      1.00000
     66      -9.1703      1.00000
     67      -9.1263      1.00000
     68      -9.0827      1.00000
     69      -8.8449      1.00000
     70      -8.8242      1.00000
     71      -8.6812      1.00000
     72      -8.5742      1.00000
     73      -8.4189      1.00000
     74      -8.1994      1.00000
     75      -8.1520      1.00000
     76      -7.9740      1.00000
     77      -7.8823      1.00000
     78      -7.8190      1.00000
     79      -7.7926      1.00000
     80      -7.7664      1.00000
     81      -7.6752      1.00000
     82      -7.6208      1.00000
     83      -7.4096      1.00000
     84      -7.3502      1.00000
     85      -6.8996      1.00000
     86      -6.8906      1.00000
     87      -6.7307      1.00000
     88      -6.6468      1.00000
     89      -6.4082      1.00000
     90      -6.3301      1.00000
     91      -6.2891      1.00000
     92      -6.1838      1.00000
     93      -5.9722      1.00000
     94      -5.5805      1.00000
     95      -5.4781      1.00000
     96      -5.4111      1.00000
     97      -5.3704      1.00000
     98      -5.1935      1.00000
     99      -5.1064      1.00000
    100      -4.7528      1.00000
    101      -4.7037      1.00000
    102      -4.5697      1.00000
    103      -4.4195      1.00000
    104      -4.2011      1.00000
    105      -3.5545      1.00000
    106      -3.3949      1.00000
    107      -3.0486      0.00000
    108      -2.1023      0.00000
    109      -1.2452      0.00000
    110      -1.2038      0.00000
    111      -1.1754      0.00000
    112      -0.9319      0.00000
    113      -0.8332      0.00000
    114      -0.7838      0.00000
    115      -0.7016      0.00000
    116       0.1967      0.00000
    117       0.2017      0.00000
    118       0.3064      0.00000
    119       0.7692      0.00000
    120       0.8230      0.00000
    121       0.9129      0.00000
    122       1.1212      0.00000
    123       1.3284      0.00000
    124       1.5081      0.00000
    125       1.5848      0.00000
    126       1.8087      0.00000
    127       1.8356      0.00000
    128       1.8777      0.00000
    129       1.9682      0.00000
    130       1.9891      0.00000
    131       2.2545      0.00000
    132       2.4053      0.00000
    133       2.4236      0.00000
    134       2.4323      0.00000
    135       2.5581      0.00000
    136       2.5886      0.00000
    137       2.6310      0.00000
    138       2.7190      0.00000
    139       2.7345      0.00000
    140       2.9628      0.00000
    141       3.0582      0.00000
    142       3.1298      0.00000
    143       3.1969      0.00000
    144       3.2414      0.00000
    145       3.2419      0.00000
    146       3.3108      0.00000
    147       3.3437      0.00000
    148       3.5205      0.00000
    149       3.5215      0.00000
    150       3.6257      0.00000
    151       3.6978      0.00000
    152       3.7394      0.00000
    153       3.8058      0.00000
    154       3.9298      0.00000
    155       3.9882      0.00000
    156       3.9942      0.00000
    157       3.9973      0.00000
    158       4.0190      0.00000
    159       4.0329      0.00000
    160       4.1423      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1274      1.00000
      2     -22.0887      1.00000
      3     -21.9176      1.00000
      4     -21.3583      1.00000
      5     -21.0036      1.00000
      6     -20.9676      1.00000
      7     -20.4520      1.00000
      8     -20.4140      1.00000
      9     -20.2608      1.00000
     10     -20.2306      1.00000
     11     -19.9001      1.00000
     12     -19.8624      1.00000
     13     -18.8274      1.00000
     14     -18.7838      1.00000
     15     -18.3112      1.00000
     16     -18.2606      1.00000
     17     -18.1206      1.00000
     18     -18.0914      1.00000
     19     -17.7849      1.00000
     20     -17.7457      1.00000
     21     -17.2249      1.00000
     22     -17.1939      1.00000
     23     -17.1318      1.00000
     24     -17.0933      1.00000
     25     -16.0574      1.00000
     26     -15.8593      1.00000
     27     -15.8216      1.00000
     28     -15.7884      1.00000
     29     -15.2084      1.00000
     30     -14.5302      1.00000
     31     -14.4841      1.00000
     32     -14.2527      1.00000
     33     -13.9290      1.00000
     34     -13.9174      1.00000
     35     -13.7912      1.00000
     36     -13.7623      1.00000
     37     -13.5819      1.00000
     38     -13.5335      1.00000
     39     -13.3225      1.00000
     40     -12.5840      1.00000
     41     -12.1752      1.00000
     42     -12.1004      1.00000
     43     -12.0346      1.00000
     44     -11.9898      1.00000
     45     -11.6556      1.00000
     46     -11.6205      1.00000
     47     -11.1379      1.00000
     48     -11.0828      1.00000
     49     -10.7807      1.00000
     50     -10.7045      1.00000
     51     -10.4038      1.00000
     52     -10.1920      1.00000
     53     -10.1673      1.00000
     54     -10.1259      1.00000
     55      -9.9935      1.00000
     56      -9.9819      1.00000
     57      -9.9400      1.00000
     58      -9.7942      1.00000
     59      -9.7693      1.00000
     60      -9.7417      1.00000
     61      -9.7204      1.00000
     62      -9.4374      1.00000
     63      -9.3352      1.00000
     64      -9.0892      1.00000
     65      -9.0432      1.00000
     66      -9.0027      1.00000
     67      -8.8911      1.00000
     68      -8.8251      1.00000
     69      -8.7080      1.00000
     70      -8.6647      1.00000
     71      -8.5668      1.00000
     72      -8.5075      1.00000
     73      -8.4717      1.00000
     74      -8.4368      1.00000
     75      -8.3319      1.00000
     76      -8.1979      1.00000
     77      -8.0662      1.00000
     78      -7.9801      1.00000
     79      -7.9075      1.00000
     80      -7.8800      1.00000
     81      -7.6950      1.00000
     82      -7.5615      1.00000
     83      -7.4932      1.00000
     84      -6.9784      1.00000
     85      -6.9087      1.00000
     86      -6.8589      1.00000
     87      -6.7408      1.00000
     88      -6.5199      1.00000
     89      -6.4681      1.00000
     90      -6.3789      1.00000
     91      -6.1925      1.00000
     92      -5.9290      1.00000
     93      -5.7958      1.00000
     94      -5.7497      1.00000
     95      -5.5567      1.00000
     96      -5.3758      1.00000
     97      -5.2434      1.00000
     98      -5.1955      1.00000
     99      -5.1814      1.00000
    100      -5.1221      1.00000
    101      -4.8094      1.00000
    102      -4.5395      1.00000
    103      -4.4575      1.00000
    104      -4.2452      1.00000
    105      -3.5555      1.00000
    106      -3.2896      1.00000
    107      -2.9382      0.00000
    108      -2.3431      0.00000
    109      -1.1825      0.00000
    110      -1.1638      0.00000
    111      -1.1145      0.00000
    112      -1.0588      0.00000
    113      -0.5032      0.00000
    114      -0.4562      0.00000
    115      -0.2970      0.00000
    116      -0.2722      0.00000
    117       0.0007      0.00000
    118       0.0357      0.00000
    119       0.5323      0.00000
    120       0.6429      0.00000
    121       0.8854      0.00000
    122       0.9817      0.00000
    123       1.1898      0.00000
    124       1.5363      0.00000
    125       1.7661      0.00000
    126       1.7850      0.00000
    127       2.0077      0.00000
    128       2.1264      0.00000
    129       2.1361      0.00000
    130       2.1497      0.00000
    131       2.2643      0.00000
    132       2.3106      0.00000
    133       2.3631      0.00000
    134       2.4631      0.00000
    135       2.6691      0.00000
    136       2.7564      0.00000
    137       2.7987      0.00000
    138       2.8802      0.00000
    139       2.9675      0.00000
    140       3.0065      0.00000
    141       3.0611      0.00000
    142       3.1155      0.00000
    143       3.1680      0.00000
    144       3.2404      0.00000
    145       3.2686      0.00000
    146       3.2995      0.00000
    147       3.3289      0.00000
    148       3.3507      0.00000
    149       3.4083      0.00000
    150       3.5394      0.00000
    151       3.6243      0.00000
    152       3.6758      0.00000
    153       3.7017      0.00000
    154       3.7126      0.00000
    155       3.7339      0.00000
    156       3.7932      0.00000
    157       3.9645      0.00000
    158       4.0643      0.00000
    159       4.1422      0.00000
    160       4.2701      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2588      1.00000
      2     -21.9005      1.00000
      3     -21.8625      1.00000
      4     -21.3380      1.00000
      5     -21.3023      1.00000
      6     -20.7823      1.00000
      7     -20.7442      1.00000
      8     -20.5780      1.00000
      9     -20.0472      1.00000
     10     -20.0115      1.00000
     11     -19.6806      1.00000
     12     -19.6456      1.00000
     13     -18.9681      1.00000
     14     -18.9304      1.00000
     15     -18.6121      1.00000
     16     -18.5748      1.00000
     17     -18.4174      1.00000
     18     -17.6322      1.00000
     19     -17.5872      1.00000
     20     -17.5661      1.00000
     21     -17.5490      1.00000
     22     -17.0978      1.00000
     23     -17.0553      1.00000
     24     -16.9376      1.00000
     25     -15.9810      1.00000
     26     -15.8697      1.00000
     27     -15.5670      1.00000
     28     -15.5278      1.00000
     29     -15.2315      1.00000
     30     -14.8491      1.00000
     31     -14.7912      1.00000
     32     -14.5378      1.00000
     33     -14.5002      1.00000
     34     -14.1282      1.00000
     35     -14.1161      1.00000
     36     -13.1560      1.00000
     37     -13.0493      1.00000
     38     -12.9960      1.00000
     39     -12.9761      1.00000
     40     -12.6995      1.00000
     41     -12.6540      1.00000
     42     -12.2974      1.00000
     43     -12.2781      1.00000
     44     -11.6189      1.00000
     45     -11.5859      1.00000
     46     -11.5258      1.00000
     47     -10.9224      1.00000
     48     -10.8961      1.00000
     49     -10.7118      1.00000
     50     -10.5662      1.00000
     51     -10.5340      1.00000
     52     -10.4657      1.00000
     53     -10.4253      1.00000
     54     -10.3661      1.00000
     55     -10.3150      1.00000
     56     -10.0339      1.00000
     57      -9.8699      1.00000
     58      -9.6016      1.00000
     59      -9.5224      1.00000
     60      -9.4540      1.00000
     61      -9.4029      1.00000
     62      -9.3724      1.00000
     63      -9.3417      1.00000
     64      -9.2972      1.00000
     65      -9.2452      1.00000
     66      -9.1340      1.00000
     67      -9.0878      1.00000
     68      -9.0713      1.00000
     69      -8.8506      1.00000
     70      -8.8322      1.00000
     71      -8.7028      1.00000
     72      -8.5598      1.00000
     73      -8.4373      1.00000
     74      -8.1978      1.00000
     75      -8.1693      1.00000
     76      -8.0388      1.00000
     77      -7.8666      1.00000
     78      -7.8035      1.00000
     79      -7.7703      1.00000
     80      -7.7173      1.00000
     81      -7.6792      1.00000
     82      -7.6411      1.00000
     83      -7.4467      1.00000
     84      -7.3077      1.00000
     85      -6.9185      1.00000
     86      -6.8876      1.00000
     87      -6.7759      1.00000
     88      -6.5571      1.00000
     89      -6.3885      1.00000
     90      -6.3221      1.00000
     91      -6.2776      1.00000
     92      -6.1694      1.00000
     93      -6.0673      1.00000
     94      -5.7830      1.00000
     95      -5.5314      1.00000
     96      -5.3562      1.00000
     97      -5.2041      1.00000
     98      -5.1772      1.00000
     99      -5.0296      1.00000
    100      -4.8136      1.00000
    101      -4.6690      1.00000
    102      -4.4931      1.00000
    103      -4.4311      1.00000
    104      -4.2365      1.00000
    105      -3.6318      1.00000
    106      -3.5468      1.00000
    107      -2.8442      0.00000
    108      -2.1351      0.00000
    109      -1.2454      0.00000
    110      -1.1889      0.00000
    111      -1.1780      0.00000
    112      -0.8856      0.00000
    113      -0.8669      0.00000
    114      -0.7858      0.00000
    115      -0.7529      0.00000
    116       0.1436      0.00000
    117       0.2447      0.00000
    118       0.3169      0.00000
    119       0.7219      0.00000
    120       0.8581      0.00000
    121       0.9369      0.00000
    122       1.1668      0.00000
    123       1.2626      0.00000
    124       1.5211      0.00000
    125       1.5828      0.00000
    126       1.7990      0.00000
    127       1.8842      0.00000
    128       1.8921      0.00000
    129       1.9692      0.00000
    130       2.0522      0.00000
    131       2.2247      0.00000
    132       2.3404      0.00000
    133       2.4339      0.00000
    134       2.4466      0.00000
    135       2.5781      0.00000
    136       2.6078      0.00000
    137       2.6650      0.00000
    138       2.7188      0.00000
    139       2.7594      0.00000
    140       2.8986      0.00000
    141       3.0466      0.00000
    142       3.1438      0.00000
    143       3.2028      0.00000
    144       3.2283      0.00000
    145       3.2431      0.00000
    146       3.2847      0.00000
    147       3.3411      0.00000
    148       3.4450      0.00000
    149       3.5492      0.00000
    150       3.6091      0.00000
    151       3.6956      0.00000
    152       3.7201      0.00000
    153       3.8605      0.00000
    154       3.9045      0.00000
    155       3.9356      0.00000
    156       3.9643      0.00000
    157       4.0165      0.00000
    158       4.0226      0.00000
    159       4.0380      0.00000
    160       4.0839      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3338      1.00000
      2     -21.7733      1.00000
      3     -21.5924      1.00000
      4     -21.5681      1.00000
      5     -21.2232      1.00000
      6     -21.1942      1.00000
      7     -21.0186      1.00000
      8     -20.1188      1.00000
      9     -20.0874      1.00000
     10     -19.5764      1.00000
     11     -19.5419      1.00000
     12     -19.3726      1.00000
     13     -19.0607      1.00000
     14     -19.0204      1.00000
     15     -19.0031      1.00000
     16     -18.9852      1.00000
     17     -18.3331      1.00000
     18     -18.3019      1.00000
     19     -17.9736      1.00000
     20     -17.0232      1.00000
     21     -16.9824      1.00000
     22     -16.9250      1.00000
     23     -16.8991      1.00000
     24     -16.4540      1.00000
     25     -16.4192      1.00000
     26     -15.5756      1.00000
     27     -15.5471      1.00000
     28     -15.2040      1.00000
     29     -15.1814      1.00000
     30     -15.1626      1.00000
     31     -15.0832      1.00000
     32     -15.0289      1.00000
     33     -14.6696      1.00000
     34     -14.6431      1.00000
     35     -13.7032      1.00000
     36     -13.6713      1.00000
     37     -13.2073      1.00000
     38     -12.6395      1.00000
     39     -12.5384      1.00000
     40     -12.4262      1.00000
     41     -12.4036      1.00000
     42     -12.0733      1.00000
     43     -12.0523      1.00000
     44     -11.6766      1.00000
     45     -11.6446      1.00000
     46     -11.2871      1.00000
     47     -11.1844      1.00000
     48     -10.9959      1.00000
     49     -10.9642      1.00000
     50     -10.8880      1.00000
     51     -10.8556      1.00000
     52     -10.5617      1.00000
     53     -10.2061      1.00000
     54     -10.1163      1.00000
     55     -10.0595      1.00000
     56      -9.8895      1.00000
     57      -9.6625      1.00000
     58      -9.6621      1.00000
     59      -9.6262      1.00000
     60      -9.5998      1.00000
     61      -9.5325      1.00000
     62      -9.4733      1.00000
     63      -9.3130      1.00000
     64      -9.2648      1.00000
     65      -9.2205      1.00000
     66      -9.1931      1.00000
     67      -9.0952      1.00000
     68      -9.0905      1.00000
     69      -9.0686      1.00000
     70      -8.9027      1.00000
     71      -8.8375      1.00000
     72      -8.5729      1.00000
     73      -8.5586      1.00000
     74      -8.1713      1.00000
     75      -8.0108      1.00000
     76      -7.9481      1.00000
     77      -7.8825      1.00000
     78      -7.7763      1.00000
     79      -7.7280      1.00000
     80      -7.7131      1.00000
     81      -7.4025      1.00000
     82      -7.2819      1.00000
     83      -7.2448      1.00000
     84      -7.2175      1.00000
     85      -7.1529      1.00000
     86      -6.9672      1.00000
     87      -6.8567      1.00000
     88      -6.6935      1.00000
     89      -6.6615      1.00000
     90      -6.5852      1.00000
     91      -6.1596      1.00000
     92      -6.0870      1.00000
     93      -6.0717      1.00000
     94      -5.9085      1.00000
     95      -5.8820      1.00000
     96      -5.3763      1.00000
     97      -5.1905      1.00000
     98      -4.8722      1.00000
     99      -4.8560      1.00000
    100      -4.6465      1.00000
    101      -4.5238      1.00000
    102      -4.3905      1.00000
    103      -4.2654      1.00000
    104      -4.0638      1.00000
    105      -4.0390      1.00000
    106      -3.5652      1.00000
    107      -2.8655      0.00000
    108      -1.7040      0.00000
    109      -1.6982      0.00000
    110      -1.3069      0.00000
    111      -1.2605      0.00000
    112      -1.2301      0.00000
    113      -1.2292      0.00000
    114      -0.5669      0.00000
    115      -0.2539      0.00000
    116      -0.1140      0.00000
    117       0.5852      0.00000
    118       0.6752      0.00000
    119       0.8089      0.00000
    120       0.9574      0.00000
    121       1.1405      0.00000
    122       1.2050      0.00000
    123       1.2825      0.00000
    124       1.4572      0.00000
    125       1.6208      0.00000
    126       1.6890      0.00000
    127       1.7772      0.00000
    128       1.7829      0.00000
    129       1.9128      0.00000
    130       1.9393      0.00000
    131       2.1838      0.00000
    132       2.1969      0.00000
    133       2.2370      0.00000
    134       2.4735      0.00000
    135       2.5084      0.00000
    136       2.5998      0.00000
    137       2.6406      0.00000
    138       2.7091      0.00000
    139       2.8291      0.00000
    140       2.8301      0.00000
    141       2.8615      0.00000
    142       2.9582      0.00000
    143       2.9809      0.00000
    144       3.0248      0.00000
    145       3.1455      0.00000
    146       3.3537      0.00000
    147       3.3812      0.00000
    148       3.4258      0.00000
    149       3.5910      0.00000
    150       3.6189      0.00000
    151       3.6378      0.00000
    152       3.6779      0.00000
    153       3.7911      0.00000
    154       3.8075      0.00000
    155       4.0105      0.00000
    156       4.0350      0.00000
    157       4.0560      0.00000
    158       4.1306      0.00000
    159       4.2393      0.00000
    160       4.3545      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1172      1.00000
      2     -22.1009      1.00000
      3     -21.9156      1.00000
      4     -21.3583      1.00000
      5     -20.9916      1.00000
      6     -20.9798      1.00000
      7     -20.4402      1.00000
      8     -20.4263      1.00000
      9     -20.2467      1.00000
     10     -20.2453      1.00000
     11     -19.8877      1.00000
     12     -19.8738      1.00000
     13     -18.8215      1.00000
     14     -18.7949      1.00000
     15     -18.2831      1.00000
     16     -18.2776      1.00000
     17     -18.1123      1.00000
     18     -18.1052      1.00000
     19     -17.7650      1.00000
     20     -17.7612      1.00000
     21     -17.2293      1.00000
     22     -17.2010      1.00000
     23     -17.1150      1.00000
     24     -17.0984      1.00000
     25     -16.0913      1.00000
     26     -15.8316      1.00000
     27     -15.8206      1.00000
     28     -15.8050      1.00000
     29     -15.1830      1.00000
     30     -14.5109      1.00000
     31     -14.4976      1.00000
     32     -14.2281      1.00000
     33     -13.9638      1.00000
     34     -13.9254      1.00000
     35     -13.7892      1.00000
     36     -13.7767      1.00000
     37     -13.5584      1.00000
     38     -13.5396      1.00000
     39     -13.3292      1.00000
     40     -12.6100      1.00000
     41     -12.1288      1.00000
     42     -12.1183      1.00000
     43     -12.0061      1.00000
     44     -11.9894      1.00000
     45     -11.6519      1.00000
     46     -11.6367      1.00000
     47     -11.1388      1.00000
     48     -11.1010      1.00000
     49     -10.7588      1.00000
     50     -10.7011      1.00000
     51     -10.4412      1.00000
     52     -10.1727      1.00000
     53     -10.1653      1.00000
     54     -10.1487      1.00000
     55     -10.0026      1.00000
     56      -9.9630      1.00000
     57      -9.9364      1.00000
     58      -9.8138      1.00000
     59      -9.7648      1.00000
     60      -9.7423      1.00000
     61      -9.7283      1.00000
     62      -9.4308      1.00000
     63      -9.3320      1.00000
     64      -9.0774      1.00000
     65      -9.0397      1.00000
     66      -8.9678      1.00000
     67      -8.9403      1.00000
     68      -8.8007      1.00000
     69      -8.6830      1.00000
     70      -8.6666      1.00000
     71      -8.5459      1.00000
     72      -8.5138      1.00000
     73      -8.4437      1.00000
     74      -8.4367      1.00000
     75      -8.2996      1.00000
     76      -8.2307      1.00000
     77      -8.1095      1.00000
     78      -8.0482      1.00000
     79      -8.0240      1.00000
     80      -7.7886      1.00000
     81      -7.6004      1.00000
     82      -7.5922      1.00000
     83      -7.4601      1.00000
     84      -7.0024      1.00000
     85      -6.9478      1.00000
     86      -6.8624      1.00000
     87      -6.5740      1.00000
     88      -6.5399      1.00000
     89      -6.4589      1.00000
     90      -6.4063      1.00000
     91      -6.3297      1.00000
     92      -5.9847      1.00000
     93      -5.7690      1.00000
     94      -5.7270      1.00000
     95      -5.5589      1.00000
     96      -5.3792      1.00000
     97      -5.2041      1.00000
     98      -5.1992      1.00000
     99      -5.1776      1.00000
    100      -5.1556      1.00000
    101      -4.6485      1.00000
    102      -4.5015      1.00000
    103      -4.4420      1.00000
    104      -4.3845      1.00000
    105      -3.5725      1.00000
    106      -3.4306      1.00000
    107      -2.7326      0.00000
    108      -2.4079      0.00000
    109      -1.1649      0.00000
    110      -1.1570      0.00000
    111      -1.1471      0.00000
    112      -1.0515      0.00000
    113      -0.4882      0.00000
    114      -0.4784      0.00000
    115      -0.3227      0.00000
    116      -0.2465      0.00000
    117       0.0054      0.00000
    118       0.0086      0.00000
    119       0.5230      0.00000
    120       0.6642      0.00000
    121       0.8228      0.00000
    122       1.0068      0.00000
    123       1.2453      0.00000
    124       1.5062      0.00000
    125       1.7665      0.00000
    126       1.9606      0.00000
    127       1.9635      0.00000
    128       2.0307      0.00000
    129       2.1113      0.00000
    130       2.1809      0.00000
    131       2.2892      0.00000
    132       2.2949      0.00000
    133       2.3664      0.00000
    134       2.5624      0.00000
    135       2.6379      0.00000
    136       2.6870      0.00000
    137       2.8527      0.00000
    138       2.8926      0.00000
    139       2.9668      0.00000
    140       2.9943      0.00000
    141       3.1351      0.00000
    142       3.1461      0.00000
    143       3.1495      0.00000
    144       3.1863      0.00000
    145       3.2489      0.00000
    146       3.2505      0.00000
    147       3.3391      0.00000
    148       3.3550      0.00000
    149       3.4236      0.00000
    150       3.4279      0.00000
    151       3.5183      0.00000
    152       3.6406      0.00000
    153       3.6927      0.00000
    154       3.7130      0.00000
    155       3.8422      0.00000
    156       3.9154      0.00000
    157       3.9712      0.00000
    158       4.0006      0.00000
    159       4.1222      0.00000
    160       4.2122      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2212      1.00000
      2     -22.0332      1.00000
      3     -21.6681      1.00000
      4     -21.6428      1.00000
      5     -20.9274      1.00000
      6     -20.8974      1.00000
      7     -20.5578      1.00000
      8     -20.5381      1.00000
      9     -20.5275      1.00000
     10     -19.9911      1.00000
     11     -19.4665      1.00000
     12     -19.4334      1.00000
     13     -19.2806      1.00000
     14     -19.2531      1.00000
     15     -18.3991      1.00000
     16     -18.3677      1.00000
     17     -17.8971      1.00000
     18     -17.8646      1.00000
     19     -17.7145      1.00000
     20     -17.6807      1.00000
     21     -17.4122      1.00000
     22     -17.3812      1.00000
     23     -17.2944      1.00000
     24     -16.4533      1.00000
     25     -16.4143      1.00000
     26     -15.9357      1.00000
     27     -15.3786      1.00000
     28     -15.3509      1.00000
     29     -15.0670      1.00000
     30     -15.0376      1.00000
     31     -14.8101      1.00000
     32     -14.7882      1.00000
     33     -14.2859      1.00000
     34     -14.2142      1.00000
     35     -13.4429      1.00000
     36     -13.3600      1.00000
     37     -13.1519      1.00000
     38     -13.1205      1.00000
     39     -12.9604      1.00000
     40     -12.9300      1.00000
     41     -12.5859      1.00000
     42     -12.5590      1.00000
     43     -12.1735      1.00000
     44     -11.5341      1.00000
     45     -11.4982      1.00000
     46     -11.2730      1.00000
     47     -11.2443      1.00000
     48     -11.1307      1.00000
     49     -10.7661      1.00000
     50     -10.6252      1.00000
     51     -10.4491      1.00000
     52     -10.2813      1.00000
     53     -10.2745      1.00000
     54     -10.1656      1.00000
     55     -10.0880      1.00000
     56     -10.0560      1.00000
     57      -9.8046      1.00000
     58      -9.7039      1.00000
     59      -9.6906      1.00000
     60      -9.6830      1.00000
     61      -9.6696      1.00000
     62      -9.6038      1.00000
     63      -9.3436      1.00000
     64      -9.3162      1.00000
     65      -9.2861      1.00000
     66      -8.9685      1.00000
     67      -8.9288      1.00000
     68      -8.8786      1.00000
     69      -8.7468      1.00000
     70      -8.5592      1.00000
     71      -8.4825      1.00000
     72      -8.3995      1.00000
     73      -8.3593      1.00000
     74      -8.2858      1.00000
     75      -8.2394      1.00000
     76      -8.2237      1.00000
     77      -8.2099      1.00000
     78      -8.1925      1.00000
     79      -7.9952      1.00000
     80      -7.7791      1.00000
     81      -7.4137      1.00000
     82      -7.3172      1.00000
     83      -7.2394      1.00000
     84      -7.1399      1.00000
     85      -7.0944      1.00000
     86      -6.9556      1.00000
     87      -6.9080      1.00000
     88      -6.5839      1.00000
     89      -6.5573      1.00000
     90      -6.4340      1.00000
     91      -6.2468      1.00000
     92      -5.9031      1.00000
     93      -5.8223      1.00000
     94      -5.6743      1.00000
     95      -5.5831      1.00000
     96      -5.2943      1.00000
     97      -5.2597      1.00000
     98      -5.1838      1.00000
     99      -5.1833      1.00000
    100      -5.1599      1.00000
    101      -4.5222      1.00000
    102      -4.4555      1.00000
    103      -4.3974      1.00000
    104      -4.0754      1.00000
    105      -3.9275      1.00000
    106      -3.5182      1.00000
    107      -2.8149      0.00000
    108      -1.8044      0.00000
    109      -1.7930      0.00000
    110      -1.0778      0.00000
    111      -1.0098      0.00000
    112      -0.9261      0.00000
    113      -0.6544      0.00000
    114      -0.6057      0.00000
    115      -0.5694      0.00000
    116      -0.5275      0.00000
    117       0.1596      0.00000
    118       0.2635      0.00000
    119       0.7127      0.00000
    120       0.9753      0.00000
    121       1.0961      0.00000
    122       1.2568      0.00000
    123       1.4279      0.00000
    124       1.5351      0.00000
    125       1.6033      0.00000
    126       1.6336      0.00000
    127       1.6493      0.00000
    128       1.8477      0.00000
    129       1.9387      0.00000
    130       2.1174      0.00000
    131       2.2136      0.00000
    132       2.3460      0.00000
    133       2.3739      0.00000
    134       2.4724      0.00000
    135       2.6051      0.00000
    136       2.6642      0.00000
    137       2.7446      0.00000
    138       2.7503      0.00000
    139       2.8586      0.00000
    140       2.9650      0.00000
    141       3.0577      0.00000
    142       3.0756      0.00000
    143       3.1923      0.00000
    144       3.2919      0.00000
    145       3.3375      0.00000
    146       3.3496      0.00000
    147       3.4827      0.00000
    148       3.5324      0.00000
    149       3.5646      0.00000
    150       3.6033      0.00000
    151       3.6214      0.00000
    152       3.6963      0.00000
    153       3.7384      0.00000
    154       3.7788      0.00000
    155       3.7856      0.00000
    156       3.8571      0.00000
    157       3.9323      0.00000
    158       4.0189      0.00000
    159       4.0401      0.00000
    160       4.2889      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3714      1.00000
      2     -21.5026      1.00000
      3     -21.4304      1.00000
      4     -21.4297      1.00000
      5     -21.4171      1.00000
      6     -21.4068      1.00000
      7     -21.4040      1.00000
      8     -19.6647      1.00000
      9     -19.5961      1.00000
     10     -19.5916      1.00000
     11     -19.5786      1.00000
     12     -19.5680      1.00000
     13     -19.5646      1.00000
     14     -18.7649      1.00000
     15     -18.7028      1.00000
     16     -18.6947      1.00000
     17     -18.6820      1.00000
     18     -18.6730      1.00000
     19     -18.6695      1.00000
     20     -16.6291      1.00000
     21     -16.5477      1.00000
     22     -16.5439      1.00000
     23     -16.5343      1.00000
     24     -16.5257      1.00000
     25     -16.5226      1.00000
     26     -15.6076      1.00000
     27     -15.5646      1.00000
     28     -15.5229      1.00000
     29     -15.5205      1.00000
     30     -15.5180      1.00000
     31     -15.5143      1.00000
     32     -14.2556      1.00000
     33     -14.2197      1.00000
     34     -14.1944      1.00000
     35     -14.1930      1.00000
     36     -14.1745      1.00000
     37     -14.1705      1.00000
     38     -11.9843      1.00000
     39     -11.8719      1.00000
     40     -11.8236      1.00000
     41     -11.8079      1.00000
     42     -11.8072      1.00000
     43     -11.8012      1.00000
     44     -11.7293      1.00000
     45     -11.7202      1.00000
     46     -11.7061      1.00000
     47     -11.6978      1.00000
     48     -11.6863      1.00000
     49     -11.6821      1.00000
     50     -10.6433      1.00000
     51     -10.3742      1.00000
     52     -10.3561      1.00000
     53     -10.3369      1.00000
     54     -10.3272      1.00000
     55     -10.3189      1.00000
     56     -10.2946      1.00000
     57      -9.7905      1.00000
     58      -9.4107      1.00000
     59      -9.3894      1.00000
     60      -9.3524      1.00000
     61      -9.3413      1.00000
     62      -9.3328      1.00000
     63      -9.1763      1.00000
     64      -9.0757      1.00000
     65      -9.0743      1.00000
     66      -9.0626      1.00000
     67      -9.0611      1.00000
     68      -9.0323      1.00000
     69      -9.0258      1.00000
     70      -9.0256      1.00000
     71      -9.0139      1.00000
     72      -9.0034      1.00000
     73      -8.9948      1.00000
     74      -8.9715      1.00000
     75      -7.9883      1.00000
     76      -7.7005      1.00000
     77      -7.5048      1.00000
     78      -7.4848      1.00000
     79      -7.4581      1.00000
     80      -7.4123      1.00000
     81      -7.3972      1.00000
     82      -7.3758      1.00000
     83      -7.3479      1.00000
     84      -7.2230      1.00000
     85      -7.1817      1.00000
     86      -7.1771      1.00000
     87      -7.1731      1.00000
     88      -6.6139      1.00000
     89      -6.5768      1.00000
     90      -6.3649      1.00000
     91      -6.3557      1.00000
     92      -6.3168      1.00000
     93      -6.2933      1.00000
     94      -5.9445      1.00000
     95      -5.8912      1.00000
     96      -5.3611      1.00000
     97      -5.1925      1.00000
     98      -4.8387      1.00000
     99      -4.7159      1.00000
    100      -4.3632      1.00000
    101      -4.3571      1.00000
    102      -4.3463      1.00000
    103      -4.3348      1.00000
    104      -4.1679      1.00000
    105      -3.9326      1.00000
    106      -3.5938      1.00000
    107      -2.9212      0.00000
    108      -1.5529      0.00000
    109      -1.5490      0.00000
    110      -1.5366      0.00000
    111      -1.5357      0.00000
    112      -1.4798      0.00000
    113      -1.4633      0.00000
    114       0.0772      0.00000
    115       0.2360      0.00000
    116       0.2812      0.00000
    117       0.3023      0.00000
    118       0.3074      0.00000
    119       0.3745      0.00000
    120       0.6154      0.00000
    121       1.2678      0.00000
    122       1.3713      0.00000
    123       1.7027      0.00000
    124       1.7564      0.00000
    125       1.7853      0.00000
    126       1.7904      0.00000
    127       1.8528      0.00000
    128       1.8738      0.00000
    129       2.0005      0.00000
    130       2.0049      0.00000
    131       2.0174      0.00000
    132       2.0223      0.00000
    133       2.0245      0.00000
    134       2.0869      0.00000
    135       2.3170      0.00000
    136       2.4644      0.00000
    137       2.5766      0.00000
    138       2.6037      0.00000
    139       2.6393      0.00000
    140       2.7387      0.00000
    141       2.8512      0.00000
    142       3.0384      0.00000
    143       3.0589      0.00000
    144       3.0738      0.00000
    145       3.0834      0.00000
    146       3.0917      0.00000
    147       3.0984      0.00000
    148       3.4486      0.00000
    149       3.5439      0.00000
    150       3.5902      0.00000
    151       3.9269      0.00000
    152       3.9407      0.00000
    153       3.9470      0.00000
    154       3.9618      0.00000
    155       3.9805      0.00000
    156       4.0517      0.00000
    157       4.1597      0.00000
    158       4.2070      0.00000
    159       4.2576      0.00000
    160       4.2683      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3339      1.00000
      2     -21.7713      1.00000
      3     -21.5966      1.00000
      4     -21.5668      1.00000
      5     -21.2214      1.00000
      6     -21.1940      1.00000
      7     -21.0199      1.00000
      8     -20.1187      1.00000
      9     -20.0870      1.00000
     10     -19.5717      1.00000
     11     -19.5444      1.00000
     12     -19.3776      1.00000
     13     -19.0495      1.00000
     14     -19.0190      1.00000
     15     -19.0040      1.00000
     16     -18.9941      1.00000
     17     -18.3277      1.00000
     18     -18.3034      1.00000
     19     -17.9807      1.00000
     20     -17.0342      1.00000
     21     -16.9838      1.00000
     22     -16.9169      1.00000
     23     -16.8982      1.00000
     24     -16.4367      1.00000
     25     -16.4148      1.00000
     26     -15.5897      1.00000
     27     -15.5568      1.00000
     28     -15.2348      1.00000
     29     -15.1947      1.00000
     30     -15.1315      1.00000
     31     -15.0573      1.00000
     32     -15.0284      1.00000
     33     -14.6690      1.00000
     34     -14.6499      1.00000
     35     -13.7058      1.00000
     36     -13.6796      1.00000
     37     -13.2011      1.00000
     38     -12.5976      1.00000
     39     -12.5404      1.00000
     40     -12.4191      1.00000
     41     -12.4024      1.00000
     42     -12.1098      1.00000
     43     -12.0679      1.00000
     44     -11.6959      1.00000
     45     -11.6471      1.00000
     46     -11.2338      1.00000
     47     -11.1892      1.00000
     48     -11.0074      1.00000
     49     -10.9704      1.00000
     50     -10.9091      1.00000
     51     -10.8655      1.00000
     52     -10.5294      1.00000
     53     -10.1277      1.00000
     54     -10.1214      1.00000
     55     -10.0801      1.00000
     56      -9.9180      1.00000
     57      -9.7068      1.00000
     58      -9.6692      1.00000
     59      -9.6115      1.00000
     60      -9.5822      1.00000
     61      -9.5432      1.00000
     62      -9.4790      1.00000
     63      -9.2947      1.00000
     64      -9.2762      1.00000
     65      -9.2286      1.00000
     66      -9.1750      1.00000
     67      -9.1098      1.00000
     68      -9.0750      1.00000
     69      -9.0644      1.00000
     70      -8.9047      1.00000
     71      -8.8458      1.00000
     72      -8.6023      1.00000
     73      -8.5658      1.00000
     74      -8.1224      1.00000
     75      -8.0441      1.00000
     76      -7.9500      1.00000
     77      -7.8299      1.00000
     78      -7.7915      1.00000
     79      -7.7278      1.00000
     80      -7.6929      1.00000
     81      -7.3480      1.00000
     82      -7.3336      1.00000
     83      -7.3267      1.00000
     84      -7.2688      1.00000
     85      -7.0653      1.00000
     86      -6.9816      1.00000
     87      -6.8251      1.00000
     88      -6.7502      1.00000
     89      -6.6418      1.00000
     90      -6.5640      1.00000
     91      -6.1380      1.00000
     92      -6.1036      1.00000
     93      -6.0931      1.00000
     94      -5.9657      1.00000
     95      -5.7339      1.00000
     96      -5.3971      1.00000
     97      -5.2072      1.00000
     98      -4.9388      1.00000
     99      -4.7987      1.00000
    100      -4.6379      1.00000
    101      -4.5375      1.00000
    102      -4.4855      1.00000
    103      -4.3643      1.00000
    104      -4.0445      1.00000
    105      -3.8141      1.00000
    106      -3.5709      1.00000
    107      -2.9433      0.00000
    108      -1.7184      0.00000
    109      -1.6754      0.00000
    110      -1.2930      0.00000
    111      -1.2721      0.00000
    112      -1.2444      0.00000
    113      -1.2133      0.00000
    114      -0.5597      0.00000
    115      -0.1913      0.00000
    116      -0.1697      0.00000
    117       0.6301      0.00000
    118       0.6780      0.00000
    119       0.7263      0.00000
    120       0.9858      0.00000
    121       1.1174      0.00000
    122       1.2409      0.00000
    123       1.3425      0.00000
    124       1.4481      0.00000
    125       1.4975      0.00000
    126       1.7432      0.00000
    127       1.7647      0.00000
    128       1.7999      0.00000
    129       1.8567      0.00000
    130       1.9512      0.00000
    131       2.1729      0.00000
    132       2.2132      0.00000
    133       2.2664      0.00000
    134       2.4301      0.00000
    135       2.5086      0.00000
    136       2.6165      0.00000
    137       2.6911      0.00000
    138       2.6971      0.00000
    139       2.7813      0.00000
    140       2.8052      0.00000
    141       2.8560      0.00000
    142       2.8594      0.00000
    143       2.9965      0.00000
    144       3.0675      0.00000
    145       3.2750      0.00000
    146       3.3621      0.00000
    147       3.3728      0.00000
    148       3.4458      0.00000
    149       3.5295      0.00000
    150       3.5905      0.00000
    151       3.6548      0.00000
    152       3.7263      0.00000
    153       3.7667      0.00000
    154       3.9341      0.00000
    155       3.9593      0.00000
    156       4.0447      0.00000
    157       4.0850      0.00000
    158       4.1664      0.00000
    159       4.2453      0.00000
    160       4.2723      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2222      1.00000
      2     -22.0308      1.00000
      3     -21.6710      1.00000
      4     -21.6417      1.00000
      5     -20.9274      1.00000
      6     -20.8971      1.00000
      7     -20.5671      1.00000
      8     -20.5324      1.00000
      9     -20.5239      1.00000
     10     -19.9909      1.00000
     11     -19.4660      1.00000
     12     -19.4365      1.00000
     13     -19.2741      1.00000
     14     -19.2536      1.00000
     15     -18.4050      1.00000
     16     -18.3678      1.00000
     17     -17.8951      1.00000
     18     -17.8647      1.00000
     19     -17.7164      1.00000
     20     -17.6825      1.00000
     21     -17.4075      1.00000
     22     -17.3828      1.00000
     23     -17.3044      1.00000
     24     -16.4322      1.00000
     25     -16.4121      1.00000
     26     -15.9170      1.00000
     27     -15.3889      1.00000
     28     -15.3589      1.00000
     29     -15.0726      1.00000
     30     -15.0451      1.00000
     31     -14.8371      1.00000
     32     -14.8028      1.00000
     33     -14.2529      1.00000
     34     -14.2149      1.00000
     35     -13.4111      1.00000
     36     -13.3612      1.00000
     37     -13.1599      1.00000
     38     -13.1302      1.00000
     39     -12.9359      1.00000
     40     -12.9259      1.00000
     41     -12.6023      1.00000
     42     -12.5699      1.00000
     43     -12.1688      1.00000
     44     -11.5630      1.00000
     45     -11.5029      1.00000
     46     -11.3004      1.00000
     47     -11.2496      1.00000
     48     -11.1203      1.00000
     49     -10.6810      1.00000
     50     -10.6327      1.00000
     51     -10.4472      1.00000
     52     -10.2866      1.00000
     53     -10.2747      1.00000
     54     -10.1599      1.00000
     55     -10.0842      1.00000
     56     -10.0699      1.00000
     57      -9.7884      1.00000
     58      -9.7380      1.00000
     59      -9.6944      1.00000
     60      -9.6735      1.00000
     61      -9.6593      1.00000
     62      -9.5976      1.00000
     63      -9.3375      1.00000
     64      -9.3202      1.00000
     65      -9.2868      1.00000
     66      -9.0293      1.00000
     67      -8.9318      1.00000
     68      -8.8417      1.00000
     69      -8.7610      1.00000
     70      -8.5916      1.00000
     71      -8.4952      1.00000
     72      -8.3697      1.00000
     73      -8.3631      1.00000
     74      -8.3031      1.00000
     75      -8.2437      1.00000
     76      -8.2421      1.00000
     77      -8.2230      1.00000
     78      -8.1956      1.00000
     79      -7.8743      1.00000
     80      -7.7445      1.00000
     81      -7.3703      1.00000
     82      -7.3143      1.00000
     83      -7.2984      1.00000
     84      -7.2068      1.00000
     85      -7.1795      1.00000
     86      -6.9493      1.00000
     87      -6.9308      1.00000
     88      -6.5927      1.00000
     89      -6.5385      1.00000
     90      -6.2648      1.00000
     91      -6.2009      1.00000
     92      -5.9816      1.00000
     93      -5.8150      1.00000
     94      -5.6687      1.00000
     95      -5.5136      1.00000
     96      -5.3305      1.00000
     97      -5.3051      1.00000
     98      -5.1922      1.00000
     99      -5.1896      1.00000
    100      -5.1074      1.00000
    101      -4.6898      1.00000
    102      -4.5498      1.00000
    103      -4.4513      1.00000
    104      -3.9146      1.00000
    105      -3.7072      1.00000
    106      -3.5365      1.00000
    107      -2.9655      0.00000
    108      -1.8170      0.00000
    109      -1.7618      0.00000
    110      -1.0854      0.00000
    111      -0.9715      0.00000
    112      -0.9413      0.00000
    113      -0.6473      0.00000
    114      -0.6052      0.00000
    115      -0.5683      0.00000
    116      -0.5313      0.00000
    117       0.1757      0.00000
    118       0.2575      0.00000
    119       0.7908      0.00000
    120       1.0073      0.00000
    121       1.1151      0.00000
    122       1.1683      0.00000
    123       1.3574      0.00000
    124       1.4813      0.00000
    125       1.5915      0.00000
    126       1.5962      0.00000
    127       1.6888      0.00000
    128       1.9111      0.00000
    129       1.9530      0.00000
    130       2.0316      0.00000
    131       2.1931      0.00000
    132       2.3443      0.00000
    133       2.3897      0.00000
    134       2.4133      0.00000
    135       2.6019      0.00000
    136       2.6872      0.00000
    137       2.7452      0.00000
    138       2.7798      0.00000
    139       2.8444      0.00000
    140       3.0067      0.00000
    141       3.0540      0.00000
    142       3.0890      0.00000
    143       3.1402      0.00000
    144       3.2628      0.00000
    145       3.3310      0.00000
    146       3.3959      0.00000
    147       3.4606      0.00000
    148       3.5432      0.00000
    149       3.5798      0.00000
    150       3.6047      0.00000
    151       3.6831      0.00000
    152       3.7084      0.00000
    153       3.7711      0.00000
    154       3.7904      0.00000
    155       3.7983      0.00000
    156       3.9424      0.00000
    157       3.9489      0.00000
    158       4.0390      0.00000
    159       4.1979      0.00000
    160       4.2595      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2592      1.00000
      2     -21.8877      1.00000
      3     -21.8752      1.00000
      4     -21.3265      1.00000
      5     -21.3144      1.00000
      6     -20.7705      1.00000
      7     -20.7558      1.00000
      8     -20.5781      1.00000
      9     -20.0296      1.00000
     10     -20.0274      1.00000
     11     -19.6714      1.00000
     12     -19.6567      1.00000
     13     -18.9482      1.00000
     14     -18.9480      1.00000
     15     -18.5929      1.00000
     16     -18.5927      1.00000
     17     -18.4177      1.00000
     18     -17.6424      1.00000
     19     -17.5869      1.00000
     20     -17.5646      1.00000
     21     -17.5599      1.00000
     22     -17.0733      1.00000
     23     -17.0724      1.00000
     24     -16.9202      1.00000
     25     -15.9536      1.00000
     26     -15.9040      1.00000
     27     -15.5474      1.00000
     28     -15.5309      1.00000
     29     -15.2679      1.00000
     30     -14.8168      1.00000
     31     -14.7944      1.00000
     32     -14.5404      1.00000
     33     -14.5099      1.00000
     34     -14.1315      1.00000
     35     -14.1274      1.00000
     36     -13.1046      1.00000
     37     -13.0407      1.00000
     38     -13.0179      1.00000
     39     -12.9862      1.00000
     40     -12.6757      1.00000
     41     -12.6733      1.00000
     42     -12.2878      1.00000
     43     -12.2812      1.00000
     44     -11.6529      1.00000
     45     -11.5995      1.00000
     46     -11.5394      1.00000
     47     -10.9402      1.00000
     48     -10.8910      1.00000
     49     -10.6373      1.00000
     50     -10.5958      1.00000
     51     -10.4748      1.00000
     52     -10.4641      1.00000
     53     -10.4056      1.00000
     54     -10.4028      1.00000
     55     -10.3140      1.00000
     56     -10.0392      1.00000
     57      -9.8756      1.00000
     58      -9.5840      1.00000
     59      -9.5209      1.00000
     60      -9.5025      1.00000
     61      -9.3783      1.00000
     62      -9.3704      1.00000
     63      -9.3399      1.00000
     64      -9.2942      1.00000
     65      -9.2415      1.00000
     66      -9.1703      1.00000
     67      -9.1263      1.00000
     68      -9.0827      1.00000
     69      -8.8449      1.00000
     70      -8.8242      1.00000
     71      -8.6812      1.00000
     72      -8.5742      1.00000
     73      -8.4189      1.00000
     74      -8.1994      1.00000
     75      -8.1520      1.00000
     76      -7.9740      1.00000
     77      -7.8823      1.00000
     78      -7.8190      1.00000
     79      -7.7926      1.00000
     80      -7.7664      1.00000
     81      -7.6752      1.00000
     82      -7.6208      1.00000
     83      -7.4096      1.00000
     84      -7.3502      1.00000
     85      -6.8996      1.00000
     86      -6.8906      1.00000
     87      -6.7307      1.00000
     88      -6.6468      1.00000
     89      -6.4082      1.00000
     90      -6.3301      1.00000
     91      -6.2891      1.00000
     92      -6.1838      1.00000
     93      -5.9722      1.00000
     94      -5.5805      1.00000
     95      -5.4781      1.00000
     96      -5.4111      1.00000
     97      -5.3704      1.00000
     98      -5.1935      1.00000
     99      -5.1064      1.00000
    100      -4.7528      1.00000
    101      -4.7037      1.00000
    102      -4.5697      1.00000
    103      -4.4195      1.00000
    104      -4.2011      1.00000
    105      -3.5545      1.00000
    106      -3.3949      1.00000
    107      -3.0486      0.00000
    108      -2.1023      0.00000
    109      -1.2452      0.00000
    110      -1.2038      0.00000
    111      -1.1754      0.00000
    112      -0.9319      0.00000
    113      -0.8332      0.00000
    114      -0.7838      0.00000
    115      -0.7016      0.00000
    116       0.1967      0.00000
    117       0.2017      0.00000
    118       0.3064      0.00000
    119       0.7692      0.00000
    120       0.8230      0.00000
    121       0.9129      0.00000
    122       1.1212      0.00000
    123       1.3284      0.00000
    124       1.5081      0.00000
    125       1.5848      0.00000
    126       1.8087      0.00000
    127       1.8356      0.00000
    128       1.8777      0.00000
    129       1.9682      0.00000
    130       1.9891      0.00000
    131       2.2545      0.00000
    132       2.4053      0.00000
    133       2.4236      0.00000
    134       2.4323      0.00000
    135       2.5581      0.00000
    136       2.5886      0.00000
    137       2.6310      0.00000
    138       2.7190      0.00000
    139       2.7345      0.00000
    140       2.9628      0.00000
    141       3.0582      0.00000
    142       3.1298      0.00000
    143       3.1968      0.00000
    144       3.2413      0.00000
    145       3.2419      0.00000
    146       3.3108      0.00000
    147       3.3437      0.00000
    148       3.5205      0.00000
    149       3.5215      0.00000
    150       3.6256      0.00000
    151       3.6978      0.00000
    152       3.7394      0.00000
    153       3.8058      0.00000
    154       3.9298      0.00000
    155       3.9882      0.00000
    156       3.9942      0.00000
    157       3.9973      0.00000
    158       4.0189      0.00000
    159       4.0328      0.00000
    160       4.1422      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1274      1.00000
      2     -22.0887      1.00000
      3     -21.9176      1.00000
      4     -21.3583      1.00000
      5     -21.0036      1.00000
      6     -20.9676      1.00000
      7     -20.4520      1.00000
      8     -20.4140      1.00000
      9     -20.2608      1.00000
     10     -20.2306      1.00000
     11     -19.9001      1.00000
     12     -19.8624      1.00000
     13     -18.8274      1.00000
     14     -18.7838      1.00000
     15     -18.3112      1.00000
     16     -18.2606      1.00000
     17     -18.1206      1.00000
     18     -18.0914      1.00000
     19     -17.7849      1.00000
     20     -17.7457      1.00000
     21     -17.2249      1.00000
     22     -17.1939      1.00000
     23     -17.1318      1.00000
     24     -17.0933      1.00000
     25     -16.0574      1.00000
     26     -15.8593      1.00000
     27     -15.8216      1.00000
     28     -15.7884      1.00000
     29     -15.2084      1.00000
     30     -14.5302      1.00000
     31     -14.4841      1.00000
     32     -14.2527      1.00000
     33     -13.9290      1.00000
     34     -13.9174      1.00000
     35     -13.7912      1.00000
     36     -13.7623      1.00000
     37     -13.5819      1.00000
     38     -13.5335      1.00000
     39     -13.3225      1.00000
     40     -12.5840      1.00000
     41     -12.1752      1.00000
     42     -12.1004      1.00000
     43     -12.0346      1.00000
     44     -11.9898      1.00000
     45     -11.6556      1.00000
     46     -11.6205      1.00000
     47     -11.1379      1.00000
     48     -11.0828      1.00000
     49     -10.7807      1.00000
     50     -10.7045      1.00000
     51     -10.4038      1.00000
     52     -10.1920      1.00000
     53     -10.1673      1.00000
     54     -10.1259      1.00000
     55      -9.9935      1.00000
     56      -9.9819      1.00000
     57      -9.9400      1.00000
     58      -9.7942      1.00000
     59      -9.7693      1.00000
     60      -9.7417      1.00000
     61      -9.7204      1.00000
     62      -9.4374      1.00000
     63      -9.3352      1.00000
     64      -9.0892      1.00000
     65      -9.0432      1.00000
     66      -9.0027      1.00000
     67      -8.8911      1.00000
     68      -8.8251      1.00000
     69      -8.7080      1.00000
     70      -8.6647      1.00000
     71      -8.5668      1.00000
     72      -8.5075      1.00000
     73      -8.4717      1.00000
     74      -8.4368      1.00000
     75      -8.3319      1.00000
     76      -8.1979      1.00000
     77      -8.0662      1.00000
     78      -7.9801      1.00000
     79      -7.9075      1.00000
     80      -7.8800      1.00000
     81      -7.6950      1.00000
     82      -7.5615      1.00000
     83      -7.4932      1.00000
     84      -6.9784      1.00000
     85      -6.9087      1.00000
     86      -6.8589      1.00000
     87      -6.7408      1.00000
     88      -6.5199      1.00000
     89      -6.4681      1.00000
     90      -6.3789      1.00000
     91      -6.1925      1.00000
     92      -5.9290      1.00000
     93      -5.7958      1.00000
     94      -5.7497      1.00000
     95      -5.5567      1.00000
     96      -5.3758      1.00000
     97      -5.2434      1.00000
     98      -5.1955      1.00000
     99      -5.1814      1.00000
    100      -5.1221      1.00000
    101      -4.8094      1.00000
    102      -4.5395      1.00000
    103      -4.4575      1.00000
    104      -4.2452      1.00000
    105      -3.5555      1.00000
    106      -3.2896      1.00000
    107      -2.9382      0.00000
    108      -2.3431      0.00000
    109      -1.1825      0.00000
    110      -1.1638      0.00000
    111      -1.1145      0.00000
    112      -1.0588      0.00000
    113      -0.5032      0.00000
    114      -0.4562      0.00000
    115      -0.2970      0.00000
    116      -0.2722      0.00000
    117       0.0007      0.00000
    118       0.0357      0.00000
    119       0.5323      0.00000
    120       0.6429      0.00000
    121       0.8854      0.00000
    122       0.9817      0.00000
    123       1.1898      0.00000
    124       1.5363      0.00000
    125       1.7661      0.00000
    126       1.7850      0.00000
    127       2.0077      0.00000
    128       2.1264      0.00000
    129       2.1361      0.00000
    130       2.1497      0.00000
    131       2.2643      0.00000
    132       2.3106      0.00000
    133       2.3630      0.00000
    134       2.4631      0.00000
    135       2.6691      0.00000
    136       2.7564      0.00000
    137       2.7987      0.00000
    138       2.8802      0.00000
    139       2.9675      0.00000
    140       3.0065      0.00000
    141       3.0611      0.00000
    142       3.1154      0.00000
    143       3.1680      0.00000
    144       3.2404      0.00000
    145       3.2686      0.00000
    146       3.2995      0.00000
    147       3.3289      0.00000
    148       3.3507      0.00000
    149       3.4083      0.00000
    150       3.5394      0.00000
    151       3.6243      0.00000
    152       3.6758      0.00000
    153       3.7016      0.00000
    154       3.7126      0.00000
    155       3.7339      0.00000
    156       3.7932      0.00000
    157       3.9645      0.00000
    158       4.0643      0.00000
    159       4.1422      0.00000
    160       4.2701      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2588      1.00000
      2     -21.9005      1.00000
      3     -21.8625      1.00000
      4     -21.3380      1.00000
      5     -21.3023      1.00000
      6     -20.7823      1.00000
      7     -20.7442      1.00000
      8     -20.5780      1.00000
      9     -20.0472      1.00000
     10     -20.0115      1.00000
     11     -19.6806      1.00000
     12     -19.6456      1.00000
     13     -18.9681      1.00000
     14     -18.9304      1.00000
     15     -18.6121      1.00000
     16     -18.5748      1.00000
     17     -18.4174      1.00000
     18     -17.6322      1.00000
     19     -17.5872      1.00000
     20     -17.5661      1.00000
     21     -17.5490      1.00000
     22     -17.0978      1.00000
     23     -17.0553      1.00000
     24     -16.9376      1.00000
     25     -15.9810      1.00000
     26     -15.8697      1.00000
     27     -15.5670      1.00000
     28     -15.5278      1.00000
     29     -15.2315      1.00000
     30     -14.8491      1.00000
     31     -14.7912      1.00000
     32     -14.5378      1.00000
     33     -14.5002      1.00000
     34     -14.1282      1.00000
     35     -14.1161      1.00000
     36     -13.1560      1.00000
     37     -13.0493      1.00000
     38     -12.9960      1.00000
     39     -12.9761      1.00000
     40     -12.6995      1.00000
     41     -12.6540      1.00000
     42     -12.2974      1.00000
     43     -12.2781      1.00000
     44     -11.6189      1.00000
     45     -11.5859      1.00000
     46     -11.5258      1.00000
     47     -10.9224      1.00000
     48     -10.8961      1.00000
     49     -10.7118      1.00000
     50     -10.5662      1.00000
     51     -10.5340      1.00000
     52     -10.4657      1.00000
     53     -10.4253      1.00000
     54     -10.3661      1.00000
     55     -10.3150      1.00000
     56     -10.0339      1.00000
     57      -9.8699      1.00000
     58      -9.6016      1.00000
     59      -9.5224      1.00000
     60      -9.4540      1.00000
     61      -9.4029      1.00000
     62      -9.3724      1.00000
     63      -9.3417      1.00000
     64      -9.2972      1.00000
     65      -9.2452      1.00000
     66      -9.1340      1.00000
     67      -9.0878      1.00000
     68      -9.0713      1.00000
     69      -8.8506      1.00000
     70      -8.8322      1.00000
     71      -8.7028      1.00000
     72      -8.5598      1.00000
     73      -8.4373      1.00000
     74      -8.1978      1.00000
     75      -8.1693      1.00000
     76      -8.0388      1.00000
     77      -7.8666      1.00000
     78      -7.8035      1.00000
     79      -7.7703      1.00000
     80      -7.7173      1.00000
     81      -7.6792      1.00000
     82      -7.6411      1.00000
     83      -7.4467      1.00000
     84      -7.3077      1.00000
     85      -6.9185      1.00000
     86      -6.8876      1.00000
     87      -6.7759      1.00000
     88      -6.5571      1.00000
     89      -6.3885      1.00000
     90      -6.3221      1.00000
     91      -6.2776      1.00000
     92      -6.1694      1.00000
     93      -6.0673      1.00000
     94      -5.7830      1.00000
     95      -5.5314      1.00000
     96      -5.3562      1.00000
     97      -5.2041      1.00000
     98      -5.1772      1.00000
     99      -5.0296      1.00000
    100      -4.8136      1.00000
    101      -4.6690      1.00000
    102      -4.4931      1.00000
    103      -4.4311      1.00000
    104      -4.2365      1.00000
    105      -3.6318      1.00000
    106      -3.5468      1.00000
    107      -2.8442      0.00000
    108      -2.1351      0.00000
    109      -1.2454      0.00000
    110      -1.1889      0.00000
    111      -1.1780      0.00000
    112      -0.8856      0.00000
    113      -0.8669      0.00000
    114      -0.7858      0.00000
    115      -0.7529      0.00000
    116       0.1436      0.00000
    117       0.2447      0.00000
    118       0.3169      0.00000
    119       0.7219      0.00000
    120       0.8581      0.00000
    121       0.9369      0.00000
    122       1.1668      0.00000
    123       1.2626      0.00000
    124       1.5211      0.00000
    125       1.5828      0.00000
    126       1.7990      0.00000
    127       1.8842      0.00000
    128       1.8921      0.00000
    129       1.9692      0.00000
    130       2.0522      0.00000
    131       2.2247      0.00000
    132       2.3404      0.00000
    133       2.4339      0.00000
    134       2.4466      0.00000
    135       2.5781      0.00000
    136       2.6078      0.00000
    137       2.6650      0.00000
    138       2.7188      0.00000
    139       2.7594      0.00000
    140       2.8985      0.00000
    141       3.0466      0.00000
    142       3.1438      0.00000
    143       3.2027      0.00000
    144       3.2283      0.00000
    145       3.2430      0.00000
    146       3.2846      0.00000
    147       3.3411      0.00000
    148       3.4450      0.00000
    149       3.5492      0.00000
    150       3.6091      0.00000
    151       3.6956      0.00000
    152       3.7201      0.00000
    153       3.8605      0.00000
    154       3.9045      0.00000
    155       3.9356      0.00000
    156       3.9643      0.00000
    157       4.0165      0.00000
    158       4.0226      0.00000
    159       4.0380      0.00000
    160       4.0839      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3338      1.00000
      2     -21.7733      1.00000
      3     -21.5924      1.00000
      4     -21.5681      1.00000
      5     -21.2232      1.00000
      6     -21.1942      1.00000
      7     -21.0186      1.00000
      8     -20.1188      1.00000
      9     -20.0874      1.00000
     10     -19.5764      1.00000
     11     -19.5419      1.00000
     12     -19.3726      1.00000
     13     -19.0607      1.00000
     14     -19.0204      1.00000
     15     -19.0031      1.00000
     16     -18.9852      1.00000
     17     -18.3331      1.00000
     18     -18.3019      1.00000
     19     -17.9736      1.00000
     20     -17.0232      1.00000
     21     -16.9824      1.00000
     22     -16.9250      1.00000
     23     -16.8991      1.00000
     24     -16.4540      1.00000
     25     -16.4192      1.00000
     26     -15.5756      1.00000
     27     -15.5471      1.00000
     28     -15.2040      1.00000
     29     -15.1814      1.00000
     30     -15.1626      1.00000
     31     -15.0832      1.00000
     32     -15.0289      1.00000
     33     -14.6696      1.00000
     34     -14.6431      1.00000
     35     -13.7032      1.00000
     36     -13.6713      1.00000
     37     -13.2073      1.00000
     38     -12.6395      1.00000
     39     -12.5384      1.00000
     40     -12.4262      1.00000
     41     -12.4036      1.00000
     42     -12.0733      1.00000
     43     -12.0523      1.00000
     44     -11.6766      1.00000
     45     -11.6446      1.00000
     46     -11.2871      1.00000
     47     -11.1844      1.00000
     48     -10.9959      1.00000
     49     -10.9642      1.00000
     50     -10.8880      1.00000
     51     -10.8556      1.00000
     52     -10.5617      1.00000
     53     -10.2061      1.00000
     54     -10.1163      1.00000
     55     -10.0595      1.00000
     56      -9.8895      1.00000
     57      -9.6625      1.00000
     58      -9.6621      1.00000
     59      -9.6262      1.00000
     60      -9.5998      1.00000
     61      -9.5325      1.00000
     62      -9.4733      1.00000
     63      -9.3130      1.00000
     64      -9.2648      1.00000
     65      -9.2205      1.00000
     66      -9.1931      1.00000
     67      -9.0952      1.00000
     68      -9.0905      1.00000
     69      -9.0686      1.00000
     70      -8.9027      1.00000
     71      -8.8375      1.00000
     72      -8.5729      1.00000
     73      -8.5586      1.00000
     74      -8.1713      1.00000
     75      -8.0108      1.00000
     76      -7.9481      1.00000
     77      -7.8825      1.00000
     78      -7.7763      1.00000
     79      -7.7280      1.00000
     80      -7.7131      1.00000
     81      -7.4025      1.00000
     82      -7.2819      1.00000
     83      -7.2448      1.00000
     84      -7.2175      1.00000
     85      -7.1529      1.00000
     86      -6.9672      1.00000
     87      -6.8567      1.00000
     88      -6.6935      1.00000
     89      -6.6615      1.00000
     90      -6.5852      1.00000
     91      -6.1596      1.00000
     92      -6.0870      1.00000
     93      -6.0717      1.00000
     94      -5.9085      1.00000
     95      -5.8820      1.00000
     96      -5.3763      1.00000
     97      -5.1905      1.00000
     98      -4.8722      1.00000
     99      -4.8560      1.00000
    100      -4.6465      1.00000
    101      -4.5238      1.00000
    102      -4.3905      1.00000
    103      -4.2654      1.00000
    104      -4.0638      1.00000
    105      -4.0390      1.00000
    106      -3.5652      1.00000
    107      -2.8655      0.00000
    108      -1.7040      0.00000
    109      -1.6982      0.00000
    110      -1.3069      0.00000
    111      -1.2605      0.00000
    112      -1.2301      0.00000
    113      -1.2292      0.00000
    114      -0.5669      0.00000
    115      -0.2539      0.00000
    116      -0.1140      0.00000
    117       0.5852      0.00000
    118       0.6752      0.00000
    119       0.8089      0.00000
    120       0.9574      0.00000
    121       1.1405      0.00000
    122       1.2050      0.00000
    123       1.2825      0.00000
    124       1.4572      0.00000
    125       1.6208      0.00000
    126       1.6890      0.00000
    127       1.7771      0.00000
    128       1.7828      0.00000
    129       1.9128      0.00000
    130       1.9393      0.00000
    131       2.1838      0.00000
    132       2.1969      0.00000
    133       2.2370      0.00000
    134       2.4735      0.00000
    135       2.5084      0.00000
    136       2.5998      0.00000
    137       2.6405      0.00000
    138       2.7091      0.00000
    139       2.8291      0.00000
    140       2.8300      0.00000
    141       2.8615      0.00000
    142       2.9582      0.00000
    143       2.9809      0.00000
    144       3.0248      0.00000
    145       3.1455      0.00000
    146       3.3537      0.00000
    147       3.3812      0.00000
    148       3.4258      0.00000
    149       3.5910      0.00000
    150       3.6189      0.00000
    151       3.6378      0.00000
    152       3.6779      0.00000
    153       3.7911      0.00000
    154       3.8075      0.00000
    155       4.0105      0.00000
    156       4.0350      0.00000
    157       4.0560      0.00000
    158       4.1305      0.00000
    159       4.2392      0.00000
    160       4.3545      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1172      1.00000
      2     -22.1009      1.00000
      3     -21.9156      1.00000
      4     -21.3583      1.00000
      5     -20.9916      1.00000
      6     -20.9798      1.00000
      7     -20.4402      1.00000
      8     -20.4263      1.00000
      9     -20.2467      1.00000
     10     -20.2453      1.00000
     11     -19.8877      1.00000
     12     -19.8738      1.00000
     13     -18.8215      1.00000
     14     -18.7949      1.00000
     15     -18.2831      1.00000
     16     -18.2776      1.00000
     17     -18.1123      1.00000
     18     -18.1052      1.00000
     19     -17.7650      1.00000
     20     -17.7612      1.00000
     21     -17.2293      1.00000
     22     -17.2010      1.00000
     23     -17.1150      1.00000
     24     -17.0984      1.00000
     25     -16.0913      1.00000
     26     -15.8316      1.00000
     27     -15.8206      1.00000
     28     -15.8050      1.00000
     29     -15.1830      1.00000
     30     -14.5109      1.00000
     31     -14.4976      1.00000
     32     -14.2281      1.00000
     33     -13.9638      1.00000
     34     -13.9254      1.00000
     35     -13.7892      1.00000
     36     -13.7767      1.00000
     37     -13.5584      1.00000
     38     -13.5396      1.00000
     39     -13.3292      1.00000
     40     -12.6100      1.00000
     41     -12.1288      1.00000
     42     -12.1183      1.00000
     43     -12.0061      1.00000
     44     -11.9894      1.00000
     45     -11.6519      1.00000
     46     -11.6367      1.00000
     47     -11.1388      1.00000
     48     -11.1010      1.00000
     49     -10.7588      1.00000
     50     -10.7011      1.00000
     51     -10.4412      1.00000
     52     -10.1727      1.00000
     53     -10.1653      1.00000
     54     -10.1487      1.00000
     55     -10.0026      1.00000
     56      -9.9630      1.00000
     57      -9.9364      1.00000
     58      -9.8138      1.00000
     59      -9.7648      1.00000
     60      -9.7423      1.00000
     61      -9.7283      1.00000
     62      -9.4308      1.00000
     63      -9.3320      1.00000
     64      -9.0774      1.00000
     65      -9.0397      1.00000
     66      -8.9678      1.00000
     67      -8.9403      1.00000
     68      -8.8007      1.00000
     69      -8.6830      1.00000
     70      -8.6666      1.00000
     71      -8.5459      1.00000
     72      -8.5138      1.00000
     73      -8.4437      1.00000
     74      -8.4367      1.00000
     75      -8.2996      1.00000
     76      -8.2307      1.00000
     77      -8.1095      1.00000
     78      -8.0482      1.00000
     79      -8.0240      1.00000
     80      -7.7886      1.00000
     81      -7.6004      1.00000
     82      -7.5922      1.00000
     83      -7.4601      1.00000
     84      -7.0024      1.00000
     85      -6.9478      1.00000
     86      -6.8624      1.00000
     87      -6.5740      1.00000
     88      -6.5399      1.00000
     89      -6.4589      1.00000
     90      -6.4063      1.00000
     91      -6.3297      1.00000
     92      -5.9847      1.00000
     93      -5.7690      1.00000
     94      -5.7270      1.00000
     95      -5.5589      1.00000
     96      -5.3792      1.00000
     97      -5.2041      1.00000
     98      -5.1992      1.00000
     99      -5.1776      1.00000
    100      -5.1556      1.00000
    101      -4.6485      1.00000
    102      -4.5015      1.00000
    103      -4.4420      1.00000
    104      -4.3845      1.00000
    105      -3.5725      1.00000
    106      -3.4306      1.00000
    107      -2.7326      0.00000
    108      -2.4079      0.00000
    109      -1.1649      0.00000
    110      -1.1570      0.00000
    111      -1.1471      0.00000
    112      -1.0515      0.00000
    113      -0.4882      0.00000
    114      -0.4784      0.00000
    115      -0.3227      0.00000
    116      -0.2465      0.00000
    117       0.0054      0.00000
    118       0.0086      0.00000
    119       0.5230      0.00000
    120       0.6642      0.00000
    121       0.8228      0.00000
    122       1.0068      0.00000
    123       1.2453      0.00000
    124       1.5062      0.00000
    125       1.7665      0.00000
    126       1.9606      0.00000
    127       1.9635      0.00000
    128       2.0307      0.00000
    129       2.1113      0.00000
    130       2.1808      0.00000
    131       2.2892      0.00000
    132       2.2949      0.00000
    133       2.3664      0.00000
    134       2.5624      0.00000
    135       2.6379      0.00000
    136       2.6870      0.00000
    137       2.8527      0.00000
    138       2.8926      0.00000
    139       2.9668      0.00000
    140       2.9943      0.00000
    141       3.1351      0.00000
    142       3.1461      0.00000
    143       3.1494      0.00000
    144       3.1862      0.00000
    145       3.2489      0.00000
    146       3.2505      0.00000
    147       3.3391      0.00000
    148       3.3550      0.00000
    149       3.4236      0.00000
    150       3.4279      0.00000
    151       3.5183      0.00000
    152       3.6406      0.00000
    153       3.6926      0.00000
    154       3.7129      0.00000
    155       3.8422      0.00000
    156       3.9154      0.00000
    157       3.9712      0.00000
    158       4.0006      0.00000
    159       4.1222      0.00000
    160       4.2122      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2212      1.00000
      2     -22.0332      1.00000
      3     -21.6681      1.00000
      4     -21.6428      1.00000
      5     -20.9274      1.00000
      6     -20.8974      1.00000
      7     -20.5578      1.00000
      8     -20.5381      1.00000
      9     -20.5275      1.00000
     10     -19.9911      1.00000
     11     -19.4665      1.00000
     12     -19.4334      1.00000
     13     -19.2806      1.00000
     14     -19.2531      1.00000
     15     -18.3991      1.00000
     16     -18.3677      1.00000
     17     -17.8971      1.00000
     18     -17.8646      1.00000
     19     -17.7145      1.00000
     20     -17.6807      1.00000
     21     -17.4122      1.00000
     22     -17.3812      1.00000
     23     -17.2944      1.00000
     24     -16.4533      1.00000
     25     -16.4143      1.00000
     26     -15.9357      1.00000
     27     -15.3786      1.00000
     28     -15.3509      1.00000
     29     -15.0670      1.00000
     30     -15.0376      1.00000
     31     -14.8101      1.00000
     32     -14.7882      1.00000
     33     -14.2859      1.00000
     34     -14.2142      1.00000
     35     -13.4429      1.00000
     36     -13.3600      1.00000
     37     -13.1519      1.00000
     38     -13.1205      1.00000
     39     -12.9604      1.00000
     40     -12.9300      1.00000
     41     -12.5859      1.00000
     42     -12.5590      1.00000
     43     -12.1735      1.00000
     44     -11.5341      1.00000
     45     -11.4982      1.00000
     46     -11.2730      1.00000
     47     -11.2443      1.00000
     48     -11.1307      1.00000
     49     -10.7661      1.00000
     50     -10.6252      1.00000
     51     -10.4491      1.00000
     52     -10.2813      1.00000
     53     -10.2745      1.00000
     54     -10.1656      1.00000
     55     -10.0880      1.00000
     56     -10.0560      1.00000
     57      -9.8046      1.00000
     58      -9.7039      1.00000
     59      -9.6906      1.00000
     60      -9.6830      1.00000
     61      -9.6696      1.00000
     62      -9.6038      1.00000
     63      -9.3436      1.00000
     64      -9.3162      1.00000
     65      -9.2861      1.00000
     66      -8.9685      1.00000
     67      -8.9288      1.00000
     68      -8.8786      1.00000
     69      -8.7468      1.00000
     70      -8.5592      1.00000
     71      -8.4825      1.00000
     72      -8.3995      1.00000
     73      -8.3593      1.00000
     74      -8.2858      1.00000
     75      -8.2394      1.00000
     76      -8.2237      1.00000
     77      -8.2099      1.00000
     78      -8.1925      1.00000
     79      -7.9952      1.00000
     80      -7.7791      1.00000
     81      -7.4137      1.00000
     82      -7.3172      1.00000
     83      -7.2394      1.00000
     84      -7.1399      1.00000
     85      -7.0944      1.00000
     86      -6.9556      1.00000
     87      -6.9080      1.00000
     88      -6.5839      1.00000
     89      -6.5573      1.00000
     90      -6.4340      1.00000
     91      -6.2468      1.00000
     92      -5.9031      1.00000
     93      -5.8223      1.00000
     94      -5.6743      1.00000
     95      -5.5831      1.00000
     96      -5.2943      1.00000
     97      -5.2597      1.00000
     98      -5.1838      1.00000
     99      -5.1833      1.00000
    100      -5.1599      1.00000
    101      -4.5222      1.00000
    102      -4.4555      1.00000
    103      -4.3974      1.00000
    104      -4.0754      1.00000
    105      -3.9275      1.00000
    106      -3.5182      1.00000
    107      -2.8149      0.00000
    108      -1.8044      0.00000
    109      -1.7930      0.00000
    110      -1.0778      0.00000
    111      -1.0098      0.00000
    112      -0.9261      0.00000
    113      -0.6544      0.00000
    114      -0.6057      0.00000
    115      -0.5694      0.00000
    116      -0.5275      0.00000
    117       0.1596      0.00000
    118       0.2635      0.00000
    119       0.7127      0.00000
    120       0.9753      0.00000
    121       1.0961      0.00000
    122       1.2568      0.00000
    123       1.4279      0.00000
    124       1.5351      0.00000
    125       1.6033      0.00000
    126       1.6336      0.00000
    127       1.6493      0.00000
    128       1.8477      0.00000
    129       1.9386      0.00000
    130       2.1174      0.00000
    131       2.2136      0.00000
    132       2.3460      0.00000
    133       2.3739      0.00000
    134       2.4724      0.00000
    135       2.6051      0.00000
    136       2.6642      0.00000
    137       2.7445      0.00000
    138       2.7502      0.00000
    139       2.8586      0.00000
    140       2.9650      0.00000
    141       3.0577      0.00000
    142       3.0756      0.00000
    143       3.1923      0.00000
    144       3.2919      0.00000
    145       3.3375      0.00000
    146       3.3495      0.00000
    147       3.4827      0.00000
    148       3.5324      0.00000
    149       3.5646      0.00000
    150       3.6033      0.00000
    151       3.6214      0.00000
    152       3.6963      0.00000
    153       3.7384      0.00000
    154       3.7787      0.00000
    155       3.7856      0.00000
    156       3.8571      0.00000
    157       3.9323      0.00000
    158       4.0189      0.00000
    159       4.0400      0.00000
    160       4.2888      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0450   -6.8585    2.8565   -0.4770   -0.0181   17.1420    0.0987   -0.0750    0.1199   -0.2122
x    -3.1503   -0.0333   -0.0584    0.0253    0.0334   -3.0236    0.0203   -0.0018   -0.0001    0.0000
x    -0.0932   -0.0011    0.0020   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0450    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0011    0.0005    0.0034   -0.0984   -0.0407    0.0701    0.0107
y     0.0425   -3.2490   -0.0994    0.2038   -2.4436   -0.6650
z   204.0450    1.9885    0.0141   -0.0670    0.0178    0.0775   -0.0028   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0614    0.0083    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8133
z    -0.5097    0.0396    0.0742    0.1452   -0.0978   -0.0018
 total charge-density along one line
x   212.0000   -9.6861    4.7911   -1.2799   -0.2535   19.0823   -1.1244    1.0512   -0.6832    0.2214
x    -2.7487   -0.0175   -0.0410    0.0178    0.0341   -2.3072    0.0196    0.0019   -0.0030   -0.0008
x    -0.0822    0.0012   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6861    4.7911   -1.2799   -0.2535   19.0823   -1.1244    1.0512   -0.6832    0.2214
y    -2.7487   -0.0175   -0.0410    0.0178    0.0341   -2.3072    0.0196    0.0019   -0.0030   -0.0008
y    -0.0822    0.0012   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6780  189.4289 -169.4356  151.1823 -136.5128  123.7943 -110.3207   94.7182  -77.7523
z    61.4814  -47.7859   37.3855  -29.7993   23.9824  -19.0454   14.6122  -10.7405    7.6199   -5.3183
z     3.7143   -2.5856    1.7338   -1.0515    0.5111   -0.1149   -0.1439    0.2904   -0.3578    0.3746
z    -0.3621    0.3366   -0.3104    0.2894   -0.2717    0.2500   -0.2187    0.1786   -0.1368    0.1022
z    -0.0794    0.0669   -0.0593    0.0517   -0.0421    0.0320   -0.0237    0.0184   -0.0157    0.0141
z    -0.0126    0.0107   -0.0088    0.0069   -0.0052    0.0039   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.196   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.268   0.000   0.298   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.069   0.037   0.000  -0.053   0.000   0.000
  0.279   0.000  -0.268   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.110   0.321  -0.103   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.298   0.000   0.182  -0.122   0.000   0.429   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.171   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.196   0.000   0.158   0.000   0.063  -0.110   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.069   0.321   0.000   0.148   0.000  -0.178   1.140  -0.354   0.000  -0.140   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.103   0.000  -0.138   0.000   0.061  -0.354   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.175  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.140   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.175   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.008   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.784
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.643
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.785   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.775   0.000   2.640
 17        0.849   1.732   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.783   0.000   2.646
 22        0.865   1.767   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.864   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.864   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.767   0.000   2.632
 37        0.863   1.783   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.785   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.581
 42        0.865   1.775   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.643
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.792  89.405   7.854 142.052
 


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


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


    CHARGE:  VPU time  115.03: CPU time   58.18
    FORLOC:  VPU time    1.23: CPU time    1.23
    FORNL :  VPU time  441.70: CPU time  221.76
    STRESS:  VPU time 1330.02: CPU time  669.25
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.4250861E-04[ 0.451E-05, 0.805E-04]  d Energy = 0.3890188E-04 0.361E-05
 d Force =-0.2816001E+00[-0.282E+00,-0.282E+00]  d Ewald  = 0.1330571E+01-0.161E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648705 eV

  energy  without entropy=     -469.648705  energy(sigma->0) =     -469.648705
 

  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    40935.52  40981.00 -47641.25     39.39      0.00      0.00
  Hartree  40393.88  40418.63 -39642.31     21.44      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.30      0.00      0.00
  Local   -83620.24 -83687.93  84596.21    -58.62      0.00      0.00
  n-local   -214.72   -206.82   -206.57      5.95      0.00      0.00
  augment     21.82     19.28     20.59     -2.20      0.00      0.00
  Kinetic   3165.42   3163.62   3585.92     -8.01      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.47     -0.37     -0.46      0.08      0.00      0.00
  in kB       -0.28     -0.23     -0.28      0.05      0.00      0.00
  external pressure =       -0.26 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342262792 -0.001820250  0.000000000     0.081029322  0.046798304  0.000000000
    -6.172714417 10.687798822  0.000000000     0.000013800  0.093572606  0.000000000
     0.000000000  0.000000000 20.000410129     0.000000000  0.000000000  0.049998975

  length of vectors
    12.342262926 12.342262635 20.000410129     0.093572604  0.093572607  0.049998975


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.859E-05 -.311E-04 -.110E+04   0.447E-05 -.262E-04 0.110E+04   -.169E-20 0.169E-20 0.369E+01   0.646E-07 -.343E-07 0.764E-02
   -.268E+02 -.463E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.196E+00   0.178E-03 0.306E-03 0.897E-03
   0.268E+02 0.463E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.196E+00   -.178E-03 -.306E-03 0.897E-03
   -.210E+01 0.121E+01 0.308E+02   0.204E+01 -.118E+01 -.308E+02   0.500E-01 -.289E-01 0.696E-02   0.152E-02 -.881E-03 0.281E-03
   0.661E+01 0.652E+01 0.343E+02   -.658E+01 -.651E+01 -.343E+02   -.353E-01 -.101E-01 -.431E-01   -.306E-02 0.358E-02 0.467E-03
   0.117E+02 0.588E+01 0.251E+02   -.117E+02 -.590E+01 -.250E+02   -.525E-01 0.194E-01 -.120E+00   0.268E-02 -.176E-02 0.149E-02
   0.430E+01 -.107E+01 0.209E+02   -.430E+01 0.107E+01 -.209E+02   0.631E-03 -.820E-02 0.151E-01   0.148E-02 -.219E-02 0.153E-02
   -.287E+01 -.261E+01 0.221E+02   0.287E+01 0.259E+01 -.221E+02   -.385E-02 0.168E-01 0.208E-01   0.119E-02 0.106E-02 0.265E-02
   0.823E+00 0.379E+01 0.221E+02   -.806E+00 -.378E+01 -.221E+02   -.164E-01 -.505E-02 0.208E-01   -.332E-03 -.157E-02 0.265E-02
   0.289E+01 0.187E+02 0.369E+02   -.293E+01 -.187E+02 -.369E+02   0.311E-01 -.253E-01 -.210E-01   0.554E-03 -.506E-02 -.244E-03
   0.203E+02 0.222E+02 0.461E+02   -.203E+02 -.224E+02 -.458E+02   0.427E-02 0.119E+00 -.323E+00   0.684E-02 0.649E-02 -.481E-02
   0.274E+02 -.583E+01 0.229E+02   -.274E+02 0.589E+01 -.229E+02   0.940E-01 -.606E-01 0.109E-01   0.295E-02 -.125E-02 -.136E-02
   0.978E+01 -.565E+01 0.157E+02   -.973E+01 0.562E+01 -.157E+02   -.598E-01 0.345E-01 0.427E-01   -.469E-02 0.270E-02 0.282E-02
   0.308E+01 -.319E+01 0.209E+02   -.308E+01 0.319E+01 -.209E+02   0.741E-02 0.355E-02 0.151E-01   0.264E-02 -.185E-03 0.152E-02
   -.692E+01 0.128E+02 0.240E+02   0.690E+01 -.128E+02 -.240E+02   0.238E-01 -.122E-02 0.191E-01   -.203E-03 0.594E-03 0.107E-02
   -.134E+02 0.311E+02 0.319E+02   0.133E+02 -.315E+02 -.322E+02   0.104E+00 0.440E+00 0.270E+00   -.332E-02 0.923E-03 -.892E-02
   0.341E+02 -.197E+02 0.950E+01   -.353E+02 0.204E+02 -.118E+02   0.114E+01 -.658E+00 0.233E+01   0.500E-03 -.292E-03 -.110E-01
   0.187E+02 -.208E+02 0.229E+02   -.188E+02 0.208E+02 -.229E+02   0.995E-01 -.511E-01 0.109E-01   0.256E-02 -.194E-02 -.137E-02
   0.766E+00 -.131E+02 0.251E+02   -.724E+00 0.131E+02 -.250E+02   -.430E-01 0.358E-01 -.120E+00   0.286E-02 -.144E-02 0.149E-02
   -.409E+01 0.983E+00 0.175E+02   0.410E+01 -.100E+01 -.174E+02   -.356E-02 0.193E-01 -.803E-01   0.409E-02 0.265E-02 0.325E-02
   -.181E+02 0.105E+02 0.129E+02   0.181E+02 -.105E+02 -.127E+02   0.457E-02 -.264E-02 -.247E+00   -.391E-02 0.226E-02 0.170E-02
   -.336E+02 -.393E+01 0.319E+02   0.340E+02 0.424E+01 -.322E+02   -.329E+00 -.310E+00 0.270E+00   -.246E-02 0.241E-02 -.891E-02
   -.910E+01 -.287E+02 0.461E+02   0.920E+01 0.288E+02 -.458E+02   -.101E+00 -.630E-01 -.323E+00   -.220E-02 -.917E-02 -.482E-02
   -.234E+01 -.899E+01 0.343E+02   0.234E+01 0.895E+01 -.343E+02   -.887E-02 0.356E-01 -.431E-01   -.462E-02 0.858E-03 0.466E-03
   0.119E+01 -.688E+00 0.238E+02   -.118E+01 0.679E+00 -.237E+02   -.171E-01 0.990E-02 -.647E-01   0.578E-03 -.332E-03 0.113E-02
   -.290E+01 0.305E+01 0.175E+02   0.291E+01 -.305E+01 -.174E+02   -.185E-01 -.657E-02 -.803E-01   -.245E-03 -.486E-02 0.326E-02
   -.146E+02 -.421E+00 0.240E+02   0.146E+02 0.440E+00 -.240E+02   0.129E-01 -.200E-01 0.191E-01   -.614E-03 -.123E-03 0.108E-02
   -.148E+02 -.119E+02 0.369E+02   0.147E+02 0.119E+02 -.369E+02   0.374E-01 -.143E-01 -.210E-01   0.466E-02 0.205E-02 -.239E-03
   0.234E+01 0.899E+01 0.343E+02   -.234E+01 -.895E+01 -.343E+02   0.887E-02 -.356E-01 -.431E-01   0.462E-02 -.858E-03 0.466E-03
   0.148E+02 0.119E+02 0.369E+02   -.147E+02 -.119E+02 -.369E+02   -.374E-01 0.143E-01 -.210E-01   -.466E-02 -.205E-02 -.239E-03
   0.146E+02 0.421E+00 0.240E+02   -.146E+02 -.441E+00 -.240E+02   -.129E-01 0.200E-01 0.191E-01   0.614E-03 0.123E-03 0.108E-02
   0.290E+01 -.305E+01 0.175E+02   -.291E+01 0.305E+01 -.174E+02   0.185E-01 0.657E-02 -.803E-01   0.245E-03 0.486E-02 0.326E-02
   -.119E+01 0.688E+00 0.238E+02   0.118E+01 -.679E+00 -.237E+02   0.171E-01 -.990E-02 -.647E-01   -.578E-03 0.332E-03 0.113E-02
   -.766E+00 0.131E+02 0.251E+02   0.724E+00 -.131E+02 -.250E+02   0.430E-01 -.358E-01 -.120E+00   -.286E-02 0.144E-02 0.149E-02
   0.910E+01 0.287E+02 0.461E+02   -.920E+01 -.288E+02 -.458E+02   0.101E+00 0.630E-01 -.323E+00   0.220E-02 0.917E-02 -.482E-02
   0.336E+02 0.393E+01 0.319E+02   -.340E+02 -.424E+01 -.322E+02   0.329E+00 0.310E+00 0.270E+00   0.246E-02 -.241E-02 -.891E-02
   0.181E+02 -.105E+02 0.129E+02   -.181E+02 0.105E+02 -.127E+02   -.457E-02 0.264E-02 -.247E+00   0.391E-02 -.226E-02 0.170E-02
   0.409E+01 -.983E+00 0.175E+02   -.410E+01 0.100E+01 -.174E+02   0.356E-02 -.193E-01 -.803E-01   -.409E-02 -.265E-02 0.325E-02
   -.308E+01 0.319E+01 0.209E+02   0.308E+01 -.319E+01 -.209E+02   -.741E-02 -.355E-02 0.151E-01   -.264E-02 0.185E-03 0.152E-02
   -.187E+02 0.208E+02 0.229E+02   0.188E+02 -.208E+02 -.229E+02   -.995E-01 0.511E-01 0.109E-01   -.256E-02 0.194E-02 -.137E-02
   -.341E+02 0.197E+02 0.950E+01   0.353E+02 -.204E+02 -.118E+02   -.114E+01 0.658E+00 0.233E+01   -.500E-03 0.292E-03 -.110E-01
   0.134E+02 -.311E+02 0.319E+02   -.133E+02 0.315E+02 -.322E+02   -.104E+00 -.440E+00 0.270E+00   0.332E-02 -.923E-03 -.892E-02
   0.692E+01 -.128E+02 0.240E+02   -.690E+01 0.128E+02 -.240E+02   -.238E-01 0.122E-02 0.191E-01   0.203E-03 -.594E-03 0.107E-02
   -.823E+00 -.379E+01 0.221E+02   0.806E+00 0.378E+01 -.221E+02   0.164E-01 0.505E-02 0.208E-01   0.332E-03 0.157E-02 0.265E-02
   -.978E+01 0.565E+01 0.157E+02   0.973E+01 -.562E+01 -.157E+02   0.598E-01 -.345E-01 0.427E-01   0.469E-02 -.270E-02 0.282E-02
   -.274E+02 0.583E+01 0.229E+02   0.274E+02 -.589E+01 -.229E+02   -.940E-01 0.606E-01 0.109E-01   -.295E-02 0.125E-02 -.136E-02
   -.203E+02 -.222E+02 0.461E+02   0.203E+02 0.224E+02 -.458E+02   -.427E-02 -.119E+00 -.323E+00   -.684E-02 -.649E-02 -.481E-02
   -.289E+01 -.187E+02 0.369E+02   0.293E+01 0.187E+02 -.369E+02   -.311E-01 0.253E-01 -.210E-01   -.554E-03 0.506E-02 -.244E-03
   0.210E+01 -.121E+01 0.308E+02   -.204E+01 0.118E+01 -.308E+02   -.500E-01 0.289E-01 0.696E-02   -.152E-02 0.881E-03 0.281E-03
   0.287E+01 0.261E+01 0.221E+02   -.287E+01 -.259E+01 -.221E+02   0.385E-02 -.168E-01 0.208E-01   -.119E-02 -.106E-02 0.265E-02
   -.430E+01 0.107E+01 0.209E+02   0.430E+01 -.107E+01 -.209E+02   -.631E-03 0.820E-02 0.151E-01   -.148E-02 0.219E-02 0.153E-02
   -.117E+02 -.588E+01 0.251E+02   0.117E+02 0.590E+01 -.250E+02   0.525E-01 -.194E-01 -.120E+00   -.268E-02 0.176E-02 0.149E-02
   -.661E+01 -.652E+01 0.343E+02   0.658E+01 0.651E+01 -.343E+02   0.353E-01 0.101E-01 -.431E-01   0.306E-02 -.358E-02 0.467E-03
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.337E-03 -.638E+01   -.305E-12 -.586E-13 0.284E-12   -.347E-16 -.278E-16 0.643E+01   0.312E-07 -.159E-07 -.202E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85044      6.05563     12.41205         0.000000      0.000000      0.002929
      2.67785      7.48874     12.52411         0.000882      0.001528     -0.012118
      1.02303      4.62252     12.52411        -0.000882     -0.001528     -0.012118
     12.34184     -0.00158      9.88002        -0.003657      0.002112      0.000398
     -1.23333      2.13840      9.88531        -0.007506      0.007211     -0.000803
     -2.46944      4.27616      9.93386         0.001809     -0.000139     -0.002022
      8.63810      6.41079      9.94324         0.000318     -0.005964     -0.002274
     -4.93650      8.54972      9.91955         0.000551      0.000470     -0.001971
     -3.70297     10.68624      9.91955        -0.000132     -0.000713     -0.001971
      1.23526      2.14019      9.92548        -0.003870     -0.006854     -0.000055
     -0.00400      4.27843     10.00862         0.003751      0.008968      0.006829
     -1.23906      6.41032     10.03595         0.001564     -0.000197      0.003231
     -2.46667      8.54811      9.96820        -0.007655      0.004419     -0.005245
      4.93670     -0.00023      9.94324         0.005324      0.002707     -0.002274
      3.70248      2.13354      9.96209         0.001459     -0.000717     -0.000713
      2.47212      4.25327     10.12996        -0.008613     -0.000783      0.004544
      1.21378      6.42321     10.35738        -0.005702      0.003292      0.008481
     -0.00148      8.55388     10.03595         0.000953     -0.001256      0.003231
      1.23157     10.68649      9.93386         0.001025     -0.001497     -0.002022
      6.17041      2.13575      9.94390         0.004102      0.004183     -0.001810
      4.93898      4.27246     10.02846        -0.003323      0.001919     -0.000964
      3.72217      6.41842     10.12996        -0.003629      0.007851      0.004544
      2.46233      8.55022     10.00862        -0.005891     -0.007732      0.006829
      3.70098     10.68488      9.88531        -0.009998      0.002895     -0.000803
      8.63879      2.13638      9.90244        -0.002128      0.001229     -0.001929
      7.40515      4.27437      9.94390        -0.001572     -0.005644     -0.001810
      6.17309      6.41277      9.96209         0.001351     -0.000905     -0.000713
      4.93372      8.54611      9.92548         0.004000      0.006779     -0.000055
     -0.00009      1.42639      9.88531         0.009998     -0.002895     -0.000803
     -1.23284      3.56515      9.92548        -0.004000     -0.006779     -0.000055
     -2.47221      5.69850      9.96209        -0.001351      0.000905     -0.000713
     -3.70426      7.83689      9.94390         0.001572      0.005644     -0.001810
     -4.93791      9.97488      9.90244         0.002128     -0.001229     -0.001929
      2.46932      1.42477      9.93386        -0.001025      0.001497     -0.002022
      1.23856      3.56104     10.00862         0.005891      0.007732      0.006829
     -0.02129      5.69284     10.12996         0.003629     -0.007851      0.004544
     -1.23809      7.83880     10.02846         0.003323     -0.001919     -0.000964
     -2.46953      9.97551      9.94390        -0.004102     -0.004183     -0.001810
      4.93690      1.42369      9.94324        -0.005324     -0.002707     -0.002274
      3.70236      3.55738     10.03595        -0.000953      0.001256      0.003231
      2.48711      5.68805     10.35738         0.005702     -0.003292      0.008481
      1.22877      7.85799     10.12996         0.008613      0.000783      0.004544
     -0.00160      9.97772      9.96209        -0.001459      0.000717     -0.000713
      7.40386      1.42502      9.91955         0.000132      0.000713     -0.001971
      6.16755      3.56315      9.96820         0.007655     -0.004419     -0.005245
      4.93995      5.70095     10.03595        -0.001564      0.000197      0.003231
      3.70488      7.83284     10.00862        -0.003751     -0.008968      0.006829
      2.46562      9.97107      9.92548         0.003870      0.006854     -0.000055
      9.87402      1.42322      9.88002         0.003657     -0.002112      0.000398
      8.63738      3.56154      9.91955        -0.000551     -0.000470     -0.001971
      7.40505      5.69865      9.94324        -0.000318      0.005964     -0.002274
      6.17032      7.83510      9.93386        -0.001809      0.000139     -0.002022
      4.93422      9.97287      9.88531         0.007506     -0.007211     -0.000803
 -----------------------------------------------------------------------------------
    total drift:                               -0.001837      0.000337      0.031081


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000039  1 .order   -0.000041   -0.000079   -0.000003
  (g-gl).g = 0.105E-03      g.g   = 0.104E-03  gl.gl    = 0.326E-03
 g(Force)  = 0.945E-04   g(Stress)= 0.921E-05 ortho     =-0.715E-05
 gamma     =   0.32147
 trial     =   0.77888
 opt step  =   0.80629  (harmonic =   0.80629) maximal distance =0.00058392
 next E    =  -469.648707   (d E  =  -0.00004)


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


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  185.08: CPU time   92.78
     LOOP+:  VPU time 5420.80: CPU time 2794.18


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


    POTLOK:  VPU time    9.29: CPU time    9.09
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1377.72: CPU time  713.48
 BZINTS: Fermi energy: -3.246635;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.19: CPU time   58.18
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1502.79: CPU time  781.29

 eigenvalue-minimisations  :  3984
 total energy-change (2. order) :-0.4696487E+03  (-0.2373695E-05)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9548745 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.31938E-03    rms(broyden)= 0.31920E-03
  rms(prec ) = 0.36040E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.23439306
  -1/2 Hartree   DENC   =    -41170.22397531
  -V(xc)+E(xc)   XCENC  =       726.33547810
  PAW double counting   =      4067.86568274    -4106.51821602
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.78192035
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64870418 eV

  energy without entropy =     -469.64870418  energy(sigma->0) =     -469.64870418


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




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


    POTLOK:  VPU time    9.10: CPU time    9.09
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1377.60: CPU time  711.73
 BZINTS: Fermi energy: -3.245942;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1387.11: CPU time  721.19

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.4004869E-06  (-0.7032220E-06)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9548745 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34275.23439306
  -1/2 Hartree   DENC   =    -41170.21583364
  -V(xc)+E(xc)   XCENC  =       726.33526096
  PAW double counting   =      4067.85854339    -4106.51117597
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.78974599
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64870458 eV

  energy without entropy =     -469.64870458  energy(sigma->0) =     -469.64870458


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




 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 -59.0102       2 -37.4838       3 -37.4838       4 -58.3180       5 -58.2923
       6 -58.3050       7 -58.3026       8 -58.3116       9 -58.3116      10 -58.2856
      11 -58.3235      12 -58.2803      13 -58.3229      14 -58.3026      15 -58.3011
      16 -58.3975      17 -58.9693      18 -58.2803      19 -58.3050      20 -58.3071
      21 -58.2932      22 -58.3975      23 -58.3236      24 -58.2923      25 -58.3283
      26 -58.3071      27 -58.3012      28 -58.2857      29 -58.2921      30 -58.2855
      31 -58.3010      32 -58.3070      33 -58.3282      34 -58.3049      35 -58.3234
      36 -58.3975      37 -58.2931      38 -58.3070      39 -58.3024      40 -58.2802
      41 -58.9692      42 -58.3975      43 -58.3010      44 -58.3115      45 -58.3228
      46 -58.2802      47 -58.3235      48 -58.2855      49 -58.3179      50 -58.3115
      51 -58.3025      52 -58.3049      53 -58.2922
 
 
 
 E-fermi :  -3.2459     XC(G=0):  -2.3443     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     -22.3716      1.00000
      2     -21.5030      1.00000
      3     -21.4307      1.00000
      4     -21.4298      1.00000
      5     -21.4173      1.00000
      6     -21.4071      1.00000
      7     -21.4041      1.00000
      8     -19.6649      1.00000
      9     -19.5964      1.00000
     10     -19.5919      1.00000
     11     -19.5788      1.00000
     12     -19.5681      1.00000
     13     -19.5648      1.00000
     14     -18.7650      1.00000
     15     -18.7031      1.00000
     16     -18.6951      1.00000
     17     -18.6822      1.00000
     18     -18.6733      1.00000
     19     -18.6697      1.00000
     20     -16.6295      1.00000
     21     -16.5481      1.00000
     22     -16.5441      1.00000
     23     -16.5345      1.00000
     24     -16.5258      1.00000
     25     -16.5227      1.00000
     26     -15.6078      1.00000
     27     -15.5647      1.00000
     28     -15.5232      1.00000
     29     -15.5208      1.00000
     30     -15.5182      1.00000
     31     -15.5146      1.00000
     32     -14.2558      1.00000
     33     -14.2201      1.00000
     34     -14.1947      1.00000
     35     -14.1932      1.00000
     36     -14.1747      1.00000
     37     -14.1708      1.00000
     38     -11.9845      1.00000
     39     -11.8722      1.00000
     40     -11.8239      1.00000
     41     -11.8083      1.00000
     42     -11.8076      1.00000
     43     -11.8015      1.00000
     44     -11.7296      1.00000
     45     -11.7204      1.00000
     46     -11.7065      1.00000
     47     -11.6980      1.00000
     48     -11.6865      1.00000
     49     -11.6824      1.00000
     50     -10.6435      1.00000
     51     -10.3745      1.00000
     52     -10.3564      1.00000
     53     -10.3372      1.00000
     54     -10.3274      1.00000
     55     -10.3193      1.00000
     56     -10.2949      1.00000
     57      -9.7908      1.00000
     58      -9.4108      1.00000
     59      -9.3896      1.00000
     60      -9.3525      1.00000
     61      -9.3414      1.00000
     62      -9.3329      1.00000
     63      -9.1766      1.00000
     64      -9.0760      1.00000
     65      -9.0746      1.00000
     66      -9.0630      1.00000
     67      -9.0614      1.00000
     68      -9.0326      1.00000
     69      -9.0261      1.00000
     70      -9.0258      1.00000
     71      -9.0143      1.00000
     72      -9.0037      1.00000
     73      -8.9949      1.00000
     74      -8.9718      1.00000
     75      -7.9885      1.00000
     76      -7.7007      1.00000
     77      -7.5051      1.00000
     78      -7.4850      1.00000
     79      -7.4583      1.00000
     80      -7.4126      1.00000
     81      -7.3975      1.00000
     82      -7.3761      1.00000
     83      -7.3482      1.00000
     84      -7.2232      1.00000
     85      -7.1818      1.00000
     86      -7.1772      1.00000
     87      -7.1733      1.00000
     88      -6.6141      1.00000
     89      -6.5768      1.00000
     90      -6.3651      1.00000
     91      -6.3560      1.00000
     92      -6.3168      1.00000
     93      -6.2934      1.00000
     94      -5.9449      1.00000
     95      -5.8914      1.00000
     96      -5.3613      1.00000
     97      -5.1926      1.00000
     98      -4.8389      1.00000
     99      -4.7161      1.00000
    100      -4.3635      1.00000
    101      -4.3572      1.00000
    102      -4.3463      1.00000
    103      -4.3350      1.00000
    104      -4.1681      1.00000
    105      -3.9328      1.00000
    106      -3.5939      1.00000
    107      -2.9214      0.00000
    108      -1.5531      0.00000
    109      -1.5492      0.00000
    110      -1.5367      0.00000
    111      -1.5359      0.00000
    112      -1.4800      0.00000
    113      -1.4634      0.00000
    114       0.0771      0.00000
    115       0.2357      0.00000
    116       0.2810      0.00000
    117       0.3021      0.00000
    118       0.3073      0.00000
    119       0.3742      0.00000
    120       0.6166      0.00000
    121       1.2678      0.00000
    122       1.3737      0.00000
    123       1.7043      0.00000
    124       1.7574      0.00000
    125       1.7863      0.00000
    126       1.7914      0.00000
    127       1.8537      0.00000
    128       1.8741      0.00000
    129       2.0013      0.00000
    130       2.0047      0.00000
    131       2.0172      0.00000
    132       2.0227      0.00000
    133       2.0243      0.00000
    134       2.0885      0.00000
    135       2.3186      0.00000
    136       2.4649      0.00000
    137       2.5781      0.00000
    138       2.6065      0.00000
    139       2.6425      0.00000
    140       2.7396      0.00000
    141       2.8570      0.00000
    142       3.0386      0.00000
    143       3.0601      0.00000
    144       3.0750      0.00000
    145       3.0904      0.00000
    146       3.0955      0.00000
    147       3.1016      0.00000
    148       3.4533      0.00000
    149       3.5459      0.00000
    150       3.5916      0.00000
    151       3.9306      0.00000
    152       3.9456      0.00000
    153       3.9477      0.00000
    154       3.9653      0.00000
    155       3.9802      0.00000
    156       4.0558      0.00000
    157       4.1608      0.00000
    158       4.2119      0.00000
    159       4.2585      0.00000
    160       4.2711      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3341      1.00000
      2     -21.7716      1.00000
      3     -21.5969      1.00000
      4     -21.5670      1.00000
      5     -21.2217      1.00000
      6     -21.1942      1.00000
      7     -21.0201      1.00000
      8     -20.1190      1.00000
      9     -20.0872      1.00000
     10     -19.5719      1.00000
     11     -19.5447      1.00000
     12     -19.3778      1.00000
     13     -19.0498      1.00000
     14     -19.0192      1.00000
     15     -19.0044      1.00000
     16     -18.9943      1.00000
     17     -18.3279      1.00000
     18     -18.3037      1.00000
     19     -17.9809      1.00000
     20     -17.0346      1.00000
     21     -16.9839      1.00000
     22     -16.9171      1.00000
     23     -16.8985      1.00000
     24     -16.4370      1.00000
     25     -16.4151      1.00000
     26     -15.5900      1.00000
     27     -15.5570      1.00000
     28     -15.2352      1.00000
     29     -15.1950      1.00000
     30     -15.1317      1.00000
     31     -15.0575      1.00000
     32     -15.0287      1.00000
     33     -14.6693      1.00000
     34     -14.6501      1.00000
     35     -13.7061      1.00000
     36     -13.6799      1.00000
     37     -13.2013      1.00000
     38     -12.5978      1.00000
     39     -12.5406      1.00000
     40     -12.4194      1.00000
     41     -12.4027      1.00000
     42     -12.1101      1.00000
     43     -12.0682      1.00000
     44     -11.6963      1.00000
     45     -11.6473      1.00000
     46     -11.2341      1.00000
     47     -11.1895      1.00000
     48     -11.0076      1.00000
     49     -10.9707      1.00000
     50     -10.9095      1.00000
     51     -10.8658      1.00000
     52     -10.5296      1.00000
     53     -10.1280      1.00000
     54     -10.1217      1.00000
     55     -10.0803      1.00000
     56      -9.9183      1.00000
     57      -9.7070      1.00000
     58      -9.6695      1.00000
     59      -9.6117      1.00000
     60      -9.5824      1.00000
     61      -9.5435      1.00000
     62      -9.4792      1.00000
     63      -9.2950      1.00000
     64      -9.2765      1.00000
     65      -9.2289      1.00000
     66      -9.1753      1.00000
     67      -9.1100      1.00000
     68      -9.0752      1.00000
     69      -9.0647      1.00000
     70      -8.9048      1.00000
     71      -8.8461      1.00000
     72      -8.6027      1.00000
     73      -8.5660      1.00000
     74      -8.1227      1.00000
     75      -8.0443      1.00000
     76      -7.9502      1.00000
     77      -7.8302      1.00000
     78      -7.7917      1.00000
     79      -7.7280      1.00000
     80      -7.6932      1.00000
     81      -7.3482      1.00000
     82      -7.3338      1.00000
     83      -7.3270      1.00000
     84      -7.2691      1.00000
     85      -7.0654      1.00000
     86      -6.9819      1.00000
     87      -6.8252      1.00000
     88      -6.7503      1.00000
     89      -6.6420      1.00000
     90      -6.5641      1.00000
     91      -6.1381      1.00000
     92      -6.1039      1.00000
     93      -6.0934      1.00000
     94      -5.9659      1.00000
     95      -5.7341      1.00000
     96      -5.3973      1.00000
     97      -5.2074      1.00000
     98      -4.9390      1.00000
     99      -4.7989      1.00000
    100      -4.6380      1.00000
    101      -4.5376      1.00000
    102      -4.4858      1.00000
    103      -4.3646      1.00000
    104      -4.0448      1.00000
    105      -3.8143      1.00000
    106      -3.5711      1.00000
    107      -2.9435      0.00000
    108      -1.7186      0.00000
    109      -1.6755      0.00000
    110      -1.2932      0.00000
    111      -1.2723      0.00000
    112      -1.2446      0.00000
    113      -1.2134      0.00000
    114      -0.5598      0.00000
    115      -0.1915      0.00000
    116      -0.1698      0.00000
    117       0.6303      0.00000
    118       0.6788      0.00000
    119       0.7261      0.00000
    120       0.9857      0.00000
    121       1.1172      0.00000
    122       1.2408      0.00000
    123       1.3437      0.00000
    124       1.4498      0.00000
    125       1.4983      0.00000
    126       1.7444      0.00000
    127       1.7666      0.00000
    128       1.8008      0.00000
    129       1.8571      0.00000
    130       1.9516      0.00000
    131       2.1741      0.00000
    132       2.2146      0.00000
    133       2.2691      0.00000
    134       2.4307      0.00000
    135       2.5089      0.00000
    136       2.6194      0.00000
    137       2.6927      0.00000
    138       2.6985      0.00000
    139       2.7825      0.00000
    140       2.8087      0.00000
    141       2.8571      0.00000
    142       2.8610      0.00000
    143       3.0001      0.00000
    144       3.0705      0.00000
    145       3.2785      0.00000
    146       3.3648      0.00000
    147       3.3751      0.00000
    148       3.4471      0.00000
    149       3.5318      0.00000
    150       3.5943      0.00000
    151       3.6581      0.00000
    152       3.7296      0.00000
    153       3.7692      0.00000
    154       3.9363      0.00000
    155       3.9617      0.00000
    156       4.0474      0.00000
    157       4.0884      0.00000
    158       4.1694      0.00000
    159       4.2473      0.00000
    160       4.2740      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2225      1.00000
      2     -22.0311      1.00000
      3     -21.6713      1.00000
      4     -21.6419      1.00000
      5     -20.9277      1.00000
      6     -20.8973      1.00000
      7     -20.5674      1.00000
      8     -20.5326      1.00000
      9     -20.5240      1.00000
     10     -19.9911      1.00000
     11     -19.4663      1.00000
     12     -19.4368      1.00000
     13     -19.2743      1.00000
     14     -19.2539      1.00000
     15     -18.4054      1.00000
     16     -18.3680      1.00000
     17     -17.8953      1.00000
     18     -17.8650      1.00000
     19     -17.7168      1.00000
     20     -17.6827      1.00000
     21     -17.4077      1.00000
     22     -17.3831      1.00000
     23     -17.3047      1.00000
     24     -16.4325      1.00000
     25     -16.4123      1.00000
     26     -15.9173      1.00000
     27     -15.3891      1.00000
     28     -15.3592      1.00000
     29     -15.0729      1.00000
     30     -15.0454      1.00000
     31     -14.8374      1.00000
     32     -14.8032      1.00000
     33     -14.2531      1.00000
     34     -14.2152      1.00000
     35     -13.4114      1.00000
     36     -13.3615      1.00000
     37     -13.1601      1.00000
     38     -13.1304      1.00000
     39     -12.9361      1.00000
     40     -12.9262      1.00000
     41     -12.6026      1.00000
     42     -12.5702      1.00000
     43     -12.1691      1.00000
     44     -11.5634      1.00000
     45     -11.5031      1.00000
     46     -11.3008      1.00000
     47     -11.2499      1.00000
     48     -11.1206      1.00000
     49     -10.6813      1.00000
     50     -10.6329      1.00000
     51     -10.4475      1.00000
     52     -10.2869      1.00000
     53     -10.2749      1.00000
     54     -10.1602      1.00000
     55     -10.0844      1.00000
     56     -10.0701      1.00000
     57      -9.7886      1.00000
     58      -9.7383      1.00000
     59      -9.6947      1.00000
     60      -9.6737      1.00000
     61      -9.6595      1.00000
     62      -9.5978      1.00000
     63      -9.3378      1.00000
     64      -9.3204      1.00000
     65      -9.2871      1.00000
     66      -9.0296      1.00000
     67      -8.9321      1.00000
     68      -8.8419      1.00000
     69      -8.7612      1.00000
     70      -8.5919      1.00000
     71      -8.4955      1.00000
     72      -8.3698      1.00000
     73      -8.3633      1.00000
     74      -8.3034      1.00000
     75      -8.2440      1.00000
     76      -8.2423      1.00000
     77      -8.2233      1.00000
     78      -8.1959      1.00000
     79      -7.8745      1.00000
     80      -7.7447      1.00000
     81      -7.3706      1.00000
     82      -7.3146      1.00000
     83      -7.2986      1.00000
     84      -7.2070      1.00000
     85      -7.1797      1.00000
     86      -6.9494      1.00000
     87      -6.9309      1.00000
     88      -6.5930      1.00000
     89      -6.5388      1.00000
     90      -6.2651      1.00000
     91      -6.2012      1.00000
     92      -5.9818      1.00000
     93      -5.8152      1.00000
     94      -5.6688      1.00000
     95      -5.5139      1.00000
     96      -5.3307      1.00000
     97      -5.3052      1.00000
     98      -5.1923      1.00000
     99      -5.1897      1.00000
    100      -5.1076      1.00000
    101      -4.6900      1.00000
    102      -4.5500      1.00000
    103      -4.4516      1.00000
    104      -3.9148      1.00000
    105      -3.7074      1.00000
    106      -3.5366      1.00000
    107      -2.9658      0.00000
    108      -1.8172      0.00000
    109      -1.7619      0.00000
    110      -1.0855      0.00000
    111      -0.9717      0.00000
    112      -0.9415      0.00000
    113      -0.6474      0.00000
    114      -0.6054      0.00000
    115      -0.5684      0.00000
    116      -0.5315      0.00000
    117       0.1755      0.00000
    118       0.2574      0.00000
    119       0.7918      0.00000
    120       1.0080      0.00000
    121       1.1156      0.00000
    122       1.1683      0.00000
    123       1.3578      0.00000
    124       1.4824      0.00000
    125       1.5919      0.00000
    126       1.5963      0.00000
    127       1.6912      0.00000
    128       1.9129      0.00000
    129       1.9550      0.00000
    130       2.0335      0.00000
    131       2.1947      0.00000
    132       2.3449      0.00000
    133       2.3904      0.00000
    134       2.4151      0.00000
    135       2.6018      0.00000
    136       2.6887      0.00000
    137       2.7469      0.00000
    138       2.7837      0.00000
    139       2.8467      0.00000
    140       3.0088      0.00000
    141       3.0563      0.00000
    142       3.0914      0.00000
    143       3.1426      0.00000
    144       3.2653      0.00000
    145       3.3317      0.00000
    146       3.3988      0.00000
    147       3.4637      0.00000
    148       3.5445      0.00000
    149       3.5827      0.00000
    150       3.6057      0.00000
    151       3.6850      0.00000
    152       3.7106      0.00000
    153       3.7750      0.00000
    154       3.7921      0.00000
    155       3.8002      0.00000
    156       3.9451      0.00000
    157       3.9532      0.00000
    158       4.0419      0.00000
    159       4.1983      0.00000
    160       4.2649      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2595      1.00000
      2     -21.8880      1.00000
      3     -21.8754      1.00000
      4     -21.3268      1.00000
      5     -21.3147      1.00000
      6     -20.7708      1.00000
      7     -20.7560      1.00000
      8     -20.5784      1.00000
      9     -20.0299      1.00000
     10     -20.0276      1.00000
     11     -19.6716      1.00000
     12     -19.6570      1.00000
     13     -18.9485      1.00000
     14     -18.9483      1.00000
     15     -18.5931      1.00000
     16     -18.5929      1.00000
     17     -18.4179      1.00000
     18     -17.6427      1.00000
     19     -17.5872      1.00000
     20     -17.5649      1.00000
     21     -17.5601      1.00000
     22     -17.0736      1.00000
     23     -17.0726      1.00000
     24     -16.9204      1.00000
     25     -15.9539      1.00000
     26     -15.9043      1.00000
     27     -15.5477      1.00000
     28     -15.5312      1.00000
     29     -15.2682      1.00000
     30     -14.8171      1.00000
     31     -14.7945      1.00000
     32     -14.5407      1.00000
     33     -14.5101      1.00000
     34     -14.1318      1.00000
     35     -14.1277      1.00000
     36     -13.1048      1.00000
     37     -13.0410      1.00000
     38     -13.0180      1.00000
     39     -12.9865      1.00000
     40     -12.6759      1.00000
     41     -12.6736      1.00000
     42     -12.2881      1.00000
     43     -12.2815      1.00000
     44     -11.6531      1.00000
     45     -11.5999      1.00000
     46     -11.5397      1.00000
     47     -10.9406      1.00000
     48     -10.8913      1.00000
     49     -10.6375      1.00000
     50     -10.5961      1.00000
     51     -10.4751      1.00000
     52     -10.4645      1.00000
     53     -10.4058      1.00000
     54     -10.4030      1.00000
     55     -10.3143      1.00000
     56     -10.0394      1.00000
     57      -9.8757      1.00000
     58      -9.5844      1.00000
     59      -9.5210      1.00000
     60      -9.5027      1.00000
     61      -9.3786      1.00000
     62      -9.3706      1.00000
     63      -9.3402      1.00000
     64      -9.2943      1.00000
     65      -9.2417      1.00000
     66      -9.1705      1.00000
     67      -9.1267      1.00000
     68      -9.0831      1.00000
     69      -8.8451      1.00000
     70      -8.8245      1.00000
     71      -8.6814      1.00000
     72      -8.5742      1.00000
     73      -8.4191      1.00000
     74      -8.1997      1.00000
     75      -8.1523      1.00000
     76      -7.9741      1.00000
     77      -7.8825      1.00000
     78      -7.8192      1.00000
     79      -7.7928      1.00000
     80      -7.7666      1.00000
     81      -7.6754      1.00000
     82      -7.6210      1.00000
     83      -7.4097      1.00000
     84      -7.3503      1.00000
     85      -6.8999      1.00000
     86      -6.8909      1.00000
     87      -6.7309      1.00000
     88      -6.6470      1.00000
     89      -6.4084      1.00000
     90      -6.3303      1.00000
     91      -6.2893      1.00000
     92      -6.1840      1.00000
     93      -5.9724      1.00000
     94      -5.5807      1.00000
     95      -5.4783      1.00000
     96      -5.4113      1.00000
     97      -5.3706      1.00000
     98      -5.1936      1.00000
     99      -5.1066      1.00000
    100      -4.7529      1.00000
    101      -4.7038      1.00000
    102      -4.5700      1.00000
    103      -4.4198      1.00000
    104      -4.2013      1.00000
    105      -3.5546      1.00000
    106      -3.3951      1.00000
    107      -3.0488      0.00000
    108      -2.1025      0.00000
    109      -1.2454      0.00000
    110      -1.2039      0.00000
    111      -1.1755      0.00000
    112      -0.9320      0.00000
    113      -0.8333      0.00000
    114      -0.7840      0.00000
    115      -0.7018      0.00000
    116       0.1966      0.00000
    117       0.2014      0.00000
    118       0.3062      0.00000
    119       0.7704      0.00000
    120       0.8229      0.00000
    121       0.9127      0.00000
    122       1.1218      0.00000
    123       1.3299      0.00000
    124       1.5084      0.00000
    125       1.5872      0.00000
    126       1.8088      0.00000
    127       1.8358      0.00000
    128       1.8793      0.00000
    129       1.9698      0.00000
    130       1.9916      0.00000
    131       2.2553      0.00000
    132       2.4076      0.00000
    133       2.4243      0.00000
    134       2.4343      0.00000
    135       2.5590      0.00000
    136       2.5903      0.00000
    137       2.6314      0.00000
    138       2.7202      0.00000
    139       2.7361      0.00000
    140       2.9649      0.00000
    141       3.0611      0.00000
    142       3.1322      0.00000
    143       3.1973      0.00000
    144       3.2436      0.00000
    145       3.2481      0.00000
    146       3.3130      0.00000
    147       3.3463      0.00000
    148       3.5223      0.00000
    149       3.5250      0.00000
    150       3.6284      0.00000
    151       3.6980      0.00000
    152       3.7430      0.00000
    153       3.8089      0.00000
    154       3.9302      0.00000
    155       3.9900      0.00000
    156       3.9944      0.00000
    157       4.0011      0.00000
    158       4.0215      0.00000
    159       4.0351      0.00000
    160       4.1432      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1277      1.00000
      2     -22.0889      1.00000
      3     -21.9179      1.00000
      4     -21.3585      1.00000
      5     -21.0038      1.00000
      6     -20.9678      1.00000
      7     -20.4523      1.00000
      8     -20.4142      1.00000
      9     -20.2610      1.00000
     10     -20.2309      1.00000
     11     -19.9004      1.00000
     12     -19.8626      1.00000
     13     -18.8276      1.00000
     14     -18.7840      1.00000
     15     -18.3115      1.00000
     16     -18.2608      1.00000
     17     -18.1209      1.00000
     18     -18.0917      1.00000
     19     -17.7852      1.00000
     20     -17.7460      1.00000
     21     -17.2252      1.00000
     22     -17.1942      1.00000
     23     -17.1321      1.00000
     24     -17.0935      1.00000
     25     -16.0576      1.00000
     26     -15.8596      1.00000
     27     -15.8218      1.00000
     28     -15.7888      1.00000
     29     -15.2087      1.00000
     30     -14.5304      1.00000
     31     -14.4844      1.00000
     32     -14.2531      1.00000
     33     -13.9292      1.00000
     34     -13.9177      1.00000
     35     -13.7915      1.00000
     36     -13.7625      1.00000
     37     -13.5822      1.00000
     38     -13.5338      1.00000
     39     -13.3227      1.00000
     40     -12.5843      1.00000
     41     -12.1754      1.00000
     42     -12.1007      1.00000
     43     -12.0349      1.00000
     44     -11.9900      1.00000
     45     -11.6558      1.00000
     46     -11.6207      1.00000
     47     -11.1382      1.00000
     48     -11.0831      1.00000
     49     -10.7810      1.00000
     50     -10.7047      1.00000
     51     -10.4041      1.00000
     52     -10.1923      1.00000
     53     -10.1676      1.00000
     54     -10.1261      1.00000
     55      -9.9936      1.00000
     56      -9.9821      1.00000
     57      -9.9402      1.00000
     58      -9.7945      1.00000
     59      -9.7696      1.00000
     60      -9.7420      1.00000
     61      -9.7206      1.00000
     62      -9.4377      1.00000
     63      -9.3354      1.00000
     64      -9.0894      1.00000
     65      -9.0434      1.00000
     66      -9.0030      1.00000
     67      -8.8913      1.00000
     68      -8.8253      1.00000
     69      -8.7082      1.00000
     70      -8.6649      1.00000
     71      -8.5671      1.00000
     72      -8.5078      1.00000
     73      -8.4720      1.00000
     74      -8.4370      1.00000
     75      -8.3320      1.00000
     76      -8.1981      1.00000
     77      -8.0663      1.00000
     78      -7.9802      1.00000
     79      -7.9076      1.00000
     80      -7.8803      1.00000
     81      -7.6951      1.00000
     82      -7.5616      1.00000
     83      -7.4935      1.00000
     84      -6.9787      1.00000
     85      -6.9090      1.00000
     86      -6.8591      1.00000
     87      -6.7410      1.00000
     88      -6.5202      1.00000
     89      -6.4684      1.00000
     90      -6.3790      1.00000
     91      -6.1927      1.00000
     92      -5.9292      1.00000
     93      -5.7959      1.00000
     94      -5.7498      1.00000
     95      -5.5569      1.00000
     96      -5.3760      1.00000
     97      -5.2435      1.00000
     98      -5.1956      1.00000
     99      -5.1816      1.00000
    100      -5.1222      1.00000
    101      -4.8096      1.00000
    102      -4.5398      1.00000
    103      -4.4579      1.00000
    104      -4.2454      1.00000
    105      -3.5556      1.00000
    106      -3.2898      1.00000
    107      -2.9384      0.00000
    108      -2.3433      0.00000
    109      -1.1826      0.00000
    110      -1.1640      0.00000
    111      -1.1146      0.00000
    112      -1.0589      0.00000
    113      -0.5033      0.00000
    114      -0.4563      0.00000
    115      -0.2972      0.00000
    116      -0.2724      0.00000
    117       0.0006      0.00000
    118       0.0356      0.00000
    119       0.5321      0.00000
    120       0.6427      0.00000
    121       0.8863      0.00000
    122       0.9829      0.00000
    123       1.1910      0.00000
    124       1.5374      0.00000
    125       1.7681      0.00000
    126       1.7876      0.00000
    127       2.0093      0.00000
    128       2.1278      0.00000
    129       2.1374      0.00000
    130       2.1516      0.00000
    131       2.2649      0.00000
    132       2.3113      0.00000
    133       2.3644      0.00000
    134       2.4644      0.00000
    135       2.6703      0.00000
    136       2.7573      0.00000
    137       2.7996      0.00000
    138       2.8804      0.00000
    139       2.9691      0.00000
    140       3.0090      0.00000
    141       3.0634      0.00000
    142       3.1178      0.00000
    143       3.1703      0.00000
    144       3.2423      0.00000
    145       3.2700      0.00000
    146       3.3013      0.00000
    147       3.3311      0.00000
    148       3.3523      0.00000
    149       3.4114      0.00000
    150       3.5412      0.00000
    151       3.6276      0.00000
    152       3.6789      0.00000
    153       3.7050      0.00000
    154       3.7151      0.00000
    155       3.7359      0.00000
    156       3.7948      0.00000
    157       3.9667      0.00000
    158       4.0662      0.00000
    159       4.1450      0.00000
    160       4.2728      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2591      1.00000
      2     -21.9008      1.00000
      3     -21.8627      1.00000
      4     -21.3382      1.00000
      5     -21.3025      1.00000
      6     -20.7826      1.00000
      7     -20.7444      1.00000
      8     -20.5783      1.00000
      9     -20.0475      1.00000
     10     -20.0117      1.00000
     11     -19.6808      1.00000
     12     -19.6459      1.00000
     13     -18.9683      1.00000
     14     -18.9307      1.00000
     15     -18.6124      1.00000
     16     -18.5750      1.00000
     17     -18.4176      1.00000
     18     -17.6325      1.00000
     19     -17.5875      1.00000
     20     -17.5664      1.00000
     21     -17.5492      1.00000
     22     -17.0981      1.00000
     23     -17.0556      1.00000
     24     -16.9379      1.00000
     25     -15.9813      1.00000
     26     -15.8699      1.00000
     27     -15.5673      1.00000
     28     -15.5281      1.00000
     29     -15.2317      1.00000
     30     -14.8494      1.00000
     31     -14.7914      1.00000
     32     -14.5381      1.00000
     33     -14.5005      1.00000
     34     -14.1284      1.00000
     35     -14.1164      1.00000
     36     -13.1562      1.00000
     37     -13.0497      1.00000
     38     -12.9963      1.00000
     39     -12.9764      1.00000
     40     -12.6997      1.00000
     41     -12.6543      1.00000
     42     -12.2977      1.00000
     43     -12.2783      1.00000
     44     -11.6192      1.00000
     45     -11.5862      1.00000
     46     -11.5260      1.00000
     47     -10.9227      1.00000
     48     -10.8964      1.00000
     49     -10.7121      1.00000
     50     -10.5665      1.00000
     51     -10.5342      1.00000
     52     -10.4659      1.00000
     53     -10.4256      1.00000
     54     -10.3664      1.00000
     55     -10.3153      1.00000
     56     -10.0341      1.00000
     57      -9.8700      1.00000
     58      -9.6019      1.00000
     59      -9.5227      1.00000
     60      -9.4542      1.00000
     61      -9.4032      1.00000
     62      -9.3727      1.00000
     63      -9.3420      1.00000
     64      -9.2974      1.00000
     65      -9.2453      1.00000
     66      -9.1343      1.00000
     67      -9.0881      1.00000
     68      -9.0716      1.00000
     69      -8.8509      1.00000
     70      -8.8325      1.00000
     71      -8.7030      1.00000
     72      -8.5599      1.00000
     73      -8.4375      1.00000
     74      -8.1981      1.00000
     75      -8.1696      1.00000
     76      -8.0390      1.00000
     77      -7.8668      1.00000
     78      -7.8038      1.00000
     79      -7.7706      1.00000
     80      -7.7175      1.00000
     81      -7.6795      1.00000
     82      -7.6414      1.00000
     83      -7.4468      1.00000
     84      -7.3079      1.00000
     85      -6.9188      1.00000
     86      -6.8879      1.00000
     87      -6.7761      1.00000
     88      -6.5573      1.00000
     89      -6.3888      1.00000
     90      -6.3223      1.00000
     91      -6.2777      1.00000
     92      -6.1696      1.00000
     93      -6.0675      1.00000
     94      -5.7831      1.00000
     95      -5.5316      1.00000
     96      -5.3563      1.00000
     97      -5.2043      1.00000
     98      -5.1774      1.00000
     99      -5.0298      1.00000
    100      -4.8138      1.00000
    101      -4.6691      1.00000
    102      -4.4934      1.00000
    103      -4.4314      1.00000
    104      -4.2367      1.00000
    105      -3.6320      1.00000
    106      -3.5469      1.00000
    107      -2.8444      0.00000
    108      -2.1353      0.00000
    109      -1.2455      0.00000
    110      -1.1890      0.00000
    111      -1.1781      0.00000
    112      -0.8857      0.00000
    113      -0.8671      0.00000
    114      -0.7860      0.00000
    115      -0.7530      0.00000
    116       0.1435      0.00000
    117       0.2446      0.00000
    118       0.3167      0.00000
    119       0.7228      0.00000
    120       0.8581      0.00000
    121       0.9367      0.00000
    122       1.1677      0.00000
    123       1.2638      0.00000
    124       1.5215      0.00000
    125       1.5851      0.00000
    126       1.7990      0.00000
    127       1.8851      0.00000
    128       1.8940      0.00000
    129       1.9714      0.00000
    130       2.0536      0.00000
    131       2.2258      0.00000
    132       2.3418      0.00000
    133       2.4354      0.00000
    134       2.4483      0.00000
    135       2.5796      0.00000
    136       2.6081      0.00000
    137       2.6658      0.00000
    138       2.7203      0.00000
    139       2.7613      0.00000
    140       2.9006      0.00000
    141       3.0490      0.00000
    142       3.1463      0.00000
    143       3.2047      0.00000
    144       3.2317      0.00000
    145       3.2467      0.00000
    146       3.2863      0.00000
    147       3.3447      0.00000
    148       3.4468      0.00000
    149       3.5521      0.00000
    150       3.6114      0.00000
    151       3.6959      0.00000
    152       3.7236      0.00000
    153       3.8620      0.00000
    154       3.9053      0.00000
    155       3.9384      0.00000
    156       3.9660      0.00000
    157       4.0201      0.00000
    158       4.0246      0.00000
    159       4.0391      0.00000
    160       4.0855      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3340      1.00000
      2     -21.7736      1.00000
      3     -21.5926      1.00000
      4     -21.5683      1.00000
      5     -21.2235      1.00000
      6     -21.1944      1.00000
      7     -21.0188      1.00000
      8     -20.1190      1.00000
      9     -20.0876      1.00000
     10     -19.5766      1.00000
     11     -19.5422      1.00000
     12     -19.3729      1.00000
     13     -19.0609      1.00000
     14     -19.0206      1.00000
     15     -19.0034      1.00000
     16     -18.9855      1.00000
     17     -18.3333      1.00000
     18     -18.3022      1.00000
     19     -17.9738      1.00000
     20     -17.0235      1.00000
     21     -16.9826      1.00000
     22     -16.9253      1.00000
     23     -16.8994      1.00000
     24     -16.4543      1.00000
     25     -16.4195      1.00000
     26     -15.5758      1.00000
     27     -15.5474      1.00000
     28     -15.2042      1.00000
     29     -15.1817      1.00000
     30     -15.1629      1.00000
     31     -15.0834      1.00000
     32     -15.0293      1.00000
     33     -14.6699      1.00000
     34     -14.6433      1.00000
     35     -13.7035      1.00000
     36     -13.6715      1.00000
     37     -13.2076      1.00000
     38     -12.6397      1.00000
     39     -12.5387      1.00000
     40     -12.4264      1.00000
     41     -12.4039      1.00000
     42     -12.0736      1.00000
     43     -12.0525      1.00000
     44     -11.6769      1.00000
     45     -11.6449      1.00000
     46     -11.2873      1.00000
     47     -11.1847      1.00000
     48     -10.9961      1.00000
     49     -10.9646      1.00000
     50     -10.8882      1.00000
     51     -10.8559      1.00000
     52     -10.5619      1.00000
     53     -10.2064      1.00000
     54     -10.1167      1.00000
     55     -10.0598      1.00000
     56      -9.8897      1.00000
     57      -9.6628      1.00000
     58      -9.6624      1.00000
     59      -9.6263      1.00000
     60      -9.6001      1.00000
     61      -9.5328      1.00000
     62      -9.4735      1.00000
     63      -9.3132      1.00000
     64      -9.2651      1.00000
     65      -9.2208      1.00000
     66      -9.1933      1.00000
     67      -9.0955      1.00000
     68      -9.0907      1.00000
     69      -9.0689      1.00000
     70      -8.9028      1.00000
     71      -8.8377      1.00000
     72      -8.5731      1.00000
     73      -8.5589      1.00000
     74      -8.1716      1.00000
     75      -8.0110      1.00000
     76      -7.9483      1.00000
     77      -7.8827      1.00000
     78      -7.7764      1.00000
     79      -7.7282      1.00000
     80      -7.7135      1.00000
     81      -7.4027      1.00000
     82      -7.2823      1.00000
     83      -7.2450      1.00000
     84      -7.2177      1.00000
     85      -7.1531      1.00000
     86      -6.9675      1.00000
     87      -6.8568      1.00000
     88      -6.6937      1.00000
     89      -6.6617      1.00000
     90      -6.5853      1.00000
     91      -6.1598      1.00000
     92      -6.0873      1.00000
     93      -6.0719      1.00000
     94      -5.9088      1.00000
     95      -5.8822      1.00000
     96      -5.3764      1.00000
     97      -5.1907      1.00000
     98      -4.8724      1.00000
     99      -4.8562      1.00000
    100      -4.6466      1.00000
    101      -4.5240      1.00000
    102      -4.3908      1.00000
    103      -4.2657      1.00000
    104      -4.0640      1.00000
    105      -4.0392      1.00000
    106      -3.5654      1.00000
    107      -2.8658      0.00000
    108      -1.7041      0.00000
    109      -1.6984      0.00000
    110      -1.3070      0.00000
    111      -1.2607      0.00000
    112      -1.2302      0.00000
    113      -1.2294      0.00000
    114      -0.5671      0.00000
    115      -0.2541      0.00000
    116      -0.1142      0.00000
    117       0.5854      0.00000
    118       0.6761      0.00000
    119       0.8088      0.00000
    120       0.9574      0.00000
    121       1.1403      0.00000
    122       1.2050      0.00000
    123       1.2834      0.00000
    124       1.4589      0.00000
    125       1.6216      0.00000
    126       1.6901      0.00000
    127       1.7784      0.00000
    128       1.7850      0.00000
    129       1.9126      0.00000
    130       1.9400      0.00000
    131       2.1852      0.00000
    132       2.1977      0.00000
    133       2.2393      0.00000
    134       2.4730      0.00000
    135       2.5105      0.00000
    136       2.6030      0.00000
    137       2.6430      0.00000
    138       2.7097      0.00000
    139       2.8305      0.00000
    140       2.8339      0.00000
    141       2.8613      0.00000
    142       2.9612      0.00000
    143       2.9829      0.00000
    144       3.0276      0.00000
    145       3.1491      0.00000
    146       3.3569      0.00000
    147       3.3833      0.00000
    148       3.4283      0.00000
    149       3.5933      0.00000
    150       3.6217      0.00000
    151       3.6385      0.00000
    152       3.6811      0.00000
    153       3.7938      0.00000
    154       3.8107      0.00000
    155       4.0129      0.00000
    156       4.0370      0.00000
    157       4.0595      0.00000
    158       4.1348      0.00000
    159       4.2421      0.00000
    160       4.3567      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1176      1.00000
      2     -22.1011      1.00000
      3     -21.9159      1.00000
      4     -21.3586      1.00000
      5     -20.9918      1.00000
      6     -20.9801      1.00000
      7     -20.4404      1.00000
      8     -20.4265      1.00000
      9     -20.2470      1.00000
     10     -20.2455      1.00000
     11     -19.8881      1.00000
     12     -19.8739      1.00000
     13     -18.8219      1.00000
     14     -18.7951      1.00000
     15     -18.2834      1.00000
     16     -18.2778      1.00000
     17     -18.1125      1.00000
     18     -18.1055      1.00000
     19     -17.7653      1.00000
     20     -17.7614      1.00000
     21     -17.2296      1.00000
     22     -17.2013      1.00000
     23     -17.1152      1.00000
     24     -17.0986      1.00000
     25     -16.0917      1.00000
     26     -15.8319      1.00000
     27     -15.8209      1.00000
     28     -15.8052      1.00000
     29     -15.1832      1.00000
     30     -14.5111      1.00000
     31     -14.4978      1.00000
     32     -14.2283      1.00000
     33     -13.9640      1.00000
     34     -13.9257      1.00000
     35     -13.7896      1.00000
     36     -13.7770      1.00000
     37     -13.5587      1.00000
     38     -13.5399      1.00000
     39     -13.3295      1.00000
     40     -12.6103      1.00000
     41     -12.1291      1.00000
     42     -12.1185      1.00000
     43     -12.0065      1.00000
     44     -11.9895      1.00000
     45     -11.6521      1.00000
     46     -11.6370      1.00000
     47     -11.1390      1.00000
     48     -11.1013      1.00000
     49     -10.7591      1.00000
     50     -10.7012      1.00000
     51     -10.4415      1.00000
     52     -10.1729      1.00000
     53     -10.1656      1.00000
     54     -10.1488      1.00000
     55     -10.0028      1.00000
     56      -9.9633      1.00000
     57      -9.9366      1.00000
     58      -9.8141      1.00000
     59      -9.7652      1.00000
     60      -9.7426      1.00000
     61      -9.7286      1.00000
     62      -9.4311      1.00000
     63      -9.3321      1.00000
     64      -9.0776      1.00000
     65      -9.0400      1.00000
     66      -8.9680      1.00000
     67      -8.9405      1.00000
     68      -8.8008      1.00000
     69      -8.6833      1.00000
     70      -8.6669      1.00000
     71      -8.5462      1.00000
     72      -8.5141      1.00000
     73      -8.4439      1.00000
     74      -8.4370      1.00000
     75      -8.2997      1.00000
     76      -8.2309      1.00000
     77      -8.1097      1.00000
     78      -8.0483      1.00000
     79      -8.0242      1.00000
     80      -7.7889      1.00000
     81      -7.6006      1.00000
     82      -7.5924      1.00000
     83      -7.4603      1.00000
     84      -7.0028      1.00000
     85      -6.9481      1.00000
     86      -6.8627      1.00000
     87      -6.5742      1.00000
     88      -6.5402      1.00000
     89      -6.4590      1.00000
     90      -6.4066      1.00000
     91      -6.3298      1.00000
     92      -5.9849      1.00000
     93      -5.7691      1.00000
     94      -5.7271      1.00000
     95      -5.5591      1.00000
     96      -5.3793      1.00000
     97      -5.2042      1.00000
     98      -5.1994      1.00000
     99      -5.1778      1.00000
    100      -5.1558      1.00000
    101      -4.6486      1.00000
    102      -4.5018      1.00000
    103      -4.4423      1.00000
    104      -4.3847      1.00000
    105      -3.5727      1.00000
    106      -3.4308      1.00000
    107      -2.7329      0.00000
    108      -2.4080      0.00000
    109      -1.1651      0.00000
    110      -1.1572      0.00000
    111      -1.1471      0.00000
    112      -1.0516      0.00000
    113      -0.4883      0.00000
    114      -0.4786      0.00000
    115      -0.3229      0.00000
    116      -0.2467      0.00000
    117       0.0052      0.00000
    118       0.0085      0.00000
    119       0.5228      0.00000
    120       0.6642      0.00000
    121       0.8236      0.00000
    122       1.0080      0.00000
    123       1.2466      0.00000
    124       1.5078      0.00000
    125       1.7682      0.00000
    126       1.9623      0.00000
    127       1.9648      0.00000
    128       2.0328      0.00000
    129       2.1126      0.00000
    130       2.1835      0.00000
    131       2.2893      0.00000
    132       2.2952      0.00000
    133       2.3682      0.00000
    134       2.5639      0.00000
    135       2.6391      0.00000
    136       2.6881      0.00000
    137       2.8538      0.00000
    138       2.8930      0.00000
    139       2.9685      0.00000
    140       2.9973      0.00000
    141       3.1369      0.00000
    142       3.1472      0.00000
    143       3.1521      0.00000
    144       3.1870      0.00000
    145       3.2493      0.00000
    146       3.2534      0.00000
    147       3.3400      0.00000
    148       3.3576      0.00000
    149       3.4257      0.00000
    150       3.4316      0.00000
    151       3.5203      0.00000
    152       3.6440      0.00000
    153       3.6927      0.00000
    154       3.7197      0.00000
    155       3.8439      0.00000
    156       3.9165      0.00000
    157       3.9734      0.00000
    158       4.0029      0.00000
    159       4.1248      0.00000
    160       4.2150      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2214      1.00000
      2     -22.0335      1.00000
      3     -21.6684      1.00000
      4     -21.6430      1.00000
      5     -20.9277      1.00000
      6     -20.8976      1.00000
      7     -20.5581      1.00000
      8     -20.5384      1.00000
      9     -20.5277      1.00000
     10     -19.9913      1.00000
     11     -19.4667      1.00000
     12     -19.4337      1.00000
     13     -19.2807      1.00000
     14     -19.2534      1.00000
     15     -18.3994      1.00000
     16     -18.3679      1.00000
     17     -17.8973      1.00000
     18     -17.8650      1.00000
     19     -17.7148      1.00000
     20     -17.6809      1.00000
     21     -17.4124      1.00000
     22     -17.3816      1.00000
     23     -17.2947      1.00000
     24     -16.4536      1.00000
     25     -16.4145      1.00000
     26     -15.9361      1.00000
     27     -15.3789      1.00000
     28     -15.3511      1.00000
     29     -15.0673      1.00000
     30     -15.0378      1.00000
     31     -14.8102      1.00000
     32     -14.7885      1.00000
     33     -14.2861      1.00000
     34     -14.2145      1.00000
     35     -13.4432      1.00000
     36     -13.3604      1.00000
     37     -13.1522      1.00000
     38     -13.1207      1.00000
     39     -12.9607      1.00000
     40     -12.9304      1.00000
     41     -12.5862      1.00000
     42     -12.5592      1.00000
     43     -12.1738      1.00000
     44     -11.5343      1.00000
     45     -11.4984      1.00000
     46     -11.2732      1.00000
     47     -11.2446      1.00000
     48     -11.1310      1.00000
     49     -10.7664      1.00000
     50     -10.6256      1.00000
     51     -10.4493      1.00000
     52     -10.2816      1.00000
     53     -10.2749      1.00000
     54     -10.1657      1.00000
     55     -10.0884      1.00000
     56     -10.0562      1.00000
     57      -9.8049      1.00000
     58      -9.7043      1.00000
     59      -9.6908      1.00000
     60      -9.6833      1.00000
     61      -9.6699      1.00000
     62      -9.6039      1.00000
     63      -9.3439      1.00000
     64      -9.3165      1.00000
     65      -9.2863      1.00000
     66      -8.9688      1.00000
     67      -8.9290      1.00000
     68      -8.8788      1.00000
     69      -8.7469      1.00000
     70      -8.5594      1.00000
     71      -8.4827      1.00000
     72      -8.3997      1.00000
     73      -8.3595      1.00000
     74      -8.2861      1.00000
     75      -8.2396      1.00000
     76      -8.2239      1.00000
     77      -8.2100      1.00000
     78      -8.1927      1.00000
     79      -7.9954      1.00000
     80      -7.7792      1.00000
     81      -7.4140      1.00000
     82      -7.3176      1.00000
     83      -7.2396      1.00000
     84      -7.1401      1.00000
     85      -7.0946      1.00000
     86      -6.9557      1.00000
     87      -6.9082      1.00000
     88      -6.5841      1.00000
     89      -6.5576      1.00000
     90      -6.4342      1.00000
     91      -6.2470      1.00000
     92      -5.9033      1.00000
     93      -5.8225      1.00000
     94      -5.6744      1.00000
     95      -5.5833      1.00000
     96      -5.2945      1.00000
     97      -5.2599      1.00000
     98      -5.1839      1.00000
     99      -5.1834      1.00000
    100      -5.1601      1.00000
    101      -4.5225      1.00000
    102      -4.4558      1.00000
    103      -4.3977      1.00000
    104      -4.0755      1.00000
    105      -3.9277      1.00000
    106      -3.5183      1.00000
    107      -2.8152      0.00000
    108      -1.8046      0.00000
    109      -1.7931      0.00000
    110      -1.0779      0.00000
    111      -1.0099      0.00000
    112      -0.9262      0.00000
    113      -0.6545      0.00000
    114      -0.6058      0.00000
    115      -0.5696      0.00000
    116      -0.5277      0.00000
    117       0.1595      0.00000
    118       0.2633      0.00000
    119       0.7135      0.00000
    120       0.9761      0.00000
    121       1.0966      0.00000
    122       1.2566      0.00000
    123       1.4290      0.00000
    124       1.5359      0.00000
    125       1.6043      0.00000
    126       1.6354      0.00000
    127       1.6493      0.00000
    128       1.8492      0.00000
    129       1.9407      0.00000
    130       2.1181      0.00000
    131       2.2163      0.00000
    132       2.3482      0.00000
    133       2.3741      0.00000
    134       2.4739      0.00000
    135       2.6061      0.00000
    136       2.6651      0.00000
    137       2.7475      0.00000
    138       2.7519      0.00000
    139       2.8612      0.00000
    140       2.9682      0.00000
    141       3.0598      0.00000
    142       3.0766      0.00000
    143       3.1960      0.00000
    144       3.2934      0.00000
    145       3.3388      0.00000
    146       3.3508      0.00000
    147       3.4855      0.00000
    148       3.5344      0.00000
    149       3.5658      0.00000
    150       3.6038      0.00000
    151       3.6231      0.00000
    152       3.6977      0.00000
    153       3.7405      0.00000
    154       3.7816      0.00000
    155       3.7899      0.00000
    156       3.8596      0.00000
    157       3.9346      0.00000
    158       4.0222      0.00000
    159       4.0440      0.00000
    160       4.2912      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3716      1.00000
      2     -21.5030      1.00000
      3     -21.4307      1.00000
      4     -21.4298      1.00000
      5     -21.4173      1.00000
      6     -21.4071      1.00000
      7     -21.4041      1.00000
      8     -19.6649      1.00000
      9     -19.5964      1.00000
     10     -19.5919      1.00000
     11     -19.5788      1.00000
     12     -19.5681      1.00000
     13     -19.5648      1.00000
     14     -18.7650      1.00000
     15     -18.7031      1.00000
     16     -18.6951      1.00000
     17     -18.6822      1.00000
     18     -18.6733      1.00000
     19     -18.6697      1.00000
     20     -16.6295      1.00000
     21     -16.5481      1.00000
     22     -16.5441      1.00000
     23     -16.5345      1.00000
     24     -16.5258      1.00000
     25     -16.5227      1.00000
     26     -15.6078      1.00000
     27     -15.5647      1.00000
     28     -15.5232      1.00000
     29     -15.5208      1.00000
     30     -15.5182      1.00000
     31     -15.5146      1.00000
     32     -14.2558      1.00000
     33     -14.2201      1.00000
     34     -14.1947      1.00000
     35     -14.1932      1.00000
     36     -14.1747      1.00000
     37     -14.1708      1.00000
     38     -11.9845      1.00000
     39     -11.8722      1.00000
     40     -11.8239      1.00000
     41     -11.8083      1.00000
     42     -11.8076      1.00000
     43     -11.8015      1.00000
     44     -11.7296      1.00000
     45     -11.7204      1.00000
     46     -11.7065      1.00000
     47     -11.6980      1.00000
     48     -11.6865      1.00000
     49     -11.6824      1.00000
     50     -10.6435      1.00000
     51     -10.3745      1.00000
     52     -10.3564      1.00000
     53     -10.3372      1.00000
     54     -10.3274      1.00000
     55     -10.3193      1.00000
     56     -10.2949      1.00000
     57      -9.7908      1.00000
     58      -9.4108      1.00000
     59      -9.3896      1.00000
     60      -9.3525      1.00000
     61      -9.3414      1.00000
     62      -9.3329      1.00000
     63      -9.1766      1.00000
     64      -9.0760      1.00000
     65      -9.0746      1.00000
     66      -9.0630      1.00000
     67      -9.0614      1.00000
     68      -9.0326      1.00000
     69      -9.0261      1.00000
     70      -9.0258      1.00000
     71      -9.0143      1.00000
     72      -9.0037      1.00000
     73      -8.9949      1.00000
     74      -8.9718      1.00000
     75      -7.9885      1.00000
     76      -7.7007      1.00000
     77      -7.5051      1.00000
     78      -7.4850      1.00000
     79      -7.4583      1.00000
     80      -7.4126      1.00000
     81      -7.3975      1.00000
     82      -7.3761      1.00000
     83      -7.3482      1.00000
     84      -7.2232      1.00000
     85      -7.1818      1.00000
     86      -7.1772      1.00000
     87      -7.1733      1.00000
     88      -6.6141      1.00000
     89      -6.5768      1.00000
     90      -6.3651      1.00000
     91      -6.3560      1.00000
     92      -6.3168      1.00000
     93      -6.2934      1.00000
     94      -5.9449      1.00000
     95      -5.8914      1.00000
     96      -5.3613      1.00000
     97      -5.1926      1.00000
     98      -4.8389      1.00000
     99      -4.7161      1.00000
    100      -4.3635      1.00000
    101      -4.3572      1.00000
    102      -4.3463      1.00000
    103      -4.3350      1.00000
    104      -4.1681      1.00000
    105      -3.9328      1.00000
    106      -3.5939      1.00000
    107      -2.9214      0.00000
    108      -1.5531      0.00000
    109      -1.5492      0.00000
    110      -1.5367      0.00000
    111      -1.5359      0.00000
    112      -1.4800      0.00000
    113      -1.4634      0.00000
    114       0.0771      0.00000
    115       0.2357      0.00000
    116       0.2810      0.00000
    117       0.3021      0.00000
    118       0.3073      0.00000
    119       0.3742      0.00000
    120       0.6166      0.00000
    121       1.2678      0.00000
    122       1.3737      0.00000
    123       1.7043      0.00000
    124       1.7574      0.00000
    125       1.7863      0.00000
    126       1.7914      0.00000
    127       1.8536      0.00000
    128       1.8741      0.00000
    129       2.0013      0.00000
    130       2.0047      0.00000
    131       2.0172      0.00000
    132       2.0227      0.00000
    133       2.0243      0.00000
    134       2.0885      0.00000
    135       2.3186      0.00000
    136       2.4649      0.00000
    137       2.5781      0.00000
    138       2.6065      0.00000
    139       2.6425      0.00000
    140       2.7396      0.00000
    141       2.8570      0.00000
    142       3.0386      0.00000
    143       3.0601      0.00000
    144       3.0750      0.00000
    145       3.0904      0.00000
    146       3.0954      0.00000
    147       3.1016      0.00000
    148       3.4533      0.00000
    149       3.5459      0.00000
    150       3.5916      0.00000
    151       3.9306      0.00000
    152       3.9456      0.00000
    153       3.9477      0.00000
    154       3.9653      0.00000
    155       3.9801      0.00000
    156       4.0558      0.00000
    157       4.1608      0.00000
    158       4.2118      0.00000
    159       4.2585      0.00000
    160       4.2711      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3341      1.00000
      2     -21.7716      1.00000
      3     -21.5969      1.00000
      4     -21.5670      1.00000
      5     -21.2217      1.00000
      6     -21.1942      1.00000
      7     -21.0201      1.00000
      8     -20.1190      1.00000
      9     -20.0872      1.00000
     10     -19.5719      1.00000
     11     -19.5447      1.00000
     12     -19.3778      1.00000
     13     -19.0498      1.00000
     14     -19.0192      1.00000
     15     -19.0044      1.00000
     16     -18.9943      1.00000
     17     -18.3279      1.00000
     18     -18.3037      1.00000
     19     -17.9809      1.00000
     20     -17.0346      1.00000
     21     -16.9839      1.00000
     22     -16.9171      1.00000
     23     -16.8985      1.00000
     24     -16.4370      1.00000
     25     -16.4151      1.00000
     26     -15.5900      1.00000
     27     -15.5570      1.00000
     28     -15.2352      1.00000
     29     -15.1950      1.00000
     30     -15.1317      1.00000
     31     -15.0575      1.00000
     32     -15.0287      1.00000
     33     -14.6693      1.00000
     34     -14.6501      1.00000
     35     -13.7061      1.00000
     36     -13.6799      1.00000
     37     -13.2013      1.00000
     38     -12.5978      1.00000
     39     -12.5406      1.00000
     40     -12.4194      1.00000
     41     -12.4027      1.00000
     42     -12.1101      1.00000
     43     -12.0682      1.00000
     44     -11.6963      1.00000
     45     -11.6473      1.00000
     46     -11.2341      1.00000
     47     -11.1895      1.00000
     48     -11.0076      1.00000
     49     -10.9707      1.00000
     50     -10.9095      1.00000
     51     -10.8658      1.00000
     52     -10.5296      1.00000
     53     -10.1280      1.00000
     54     -10.1217      1.00000
     55     -10.0803      1.00000
     56      -9.9183      1.00000
     57      -9.7070      1.00000
     58      -9.6695      1.00000
     59      -9.6117      1.00000
     60      -9.5824      1.00000
     61      -9.5435      1.00000
     62      -9.4792      1.00000
     63      -9.2950      1.00000
     64      -9.2765      1.00000
     65      -9.2289      1.00000
     66      -9.1753      1.00000
     67      -9.1100      1.00000
     68      -9.0752      1.00000
     69      -9.0647      1.00000
     70      -8.9048      1.00000
     71      -8.8461      1.00000
     72      -8.6027      1.00000
     73      -8.5660      1.00000
     74      -8.1227      1.00000
     75      -8.0443      1.00000
     76      -7.9502      1.00000
     77      -7.8302      1.00000
     78      -7.7917      1.00000
     79      -7.7280      1.00000
     80      -7.6932      1.00000
     81      -7.3482      1.00000
     82      -7.3338      1.00000
     83      -7.3270      1.00000
     84      -7.2691      1.00000
     85      -7.0654      1.00000
     86      -6.9819      1.00000
     87      -6.8252      1.00000
     88      -6.7503      1.00000
     89      -6.6420      1.00000
     90      -6.5641      1.00000
     91      -6.1381      1.00000
     92      -6.1039      1.00000
     93      -6.0934      1.00000
     94      -5.9659      1.00000
     95      -5.7341      1.00000
     96      -5.3973      1.00000
     97      -5.2074      1.00000
     98      -4.9390      1.00000
     99      -4.7989      1.00000
    100      -4.6380      1.00000
    101      -4.5376      1.00000
    102      -4.4858      1.00000
    103      -4.3646      1.00000
    104      -4.0448      1.00000
    105      -3.8143      1.00000
    106      -3.5711      1.00000
    107      -2.9435      0.00000
    108      -1.7186      0.00000
    109      -1.6755      0.00000
    110      -1.2932      0.00000
    111      -1.2723      0.00000
    112      -1.2446      0.00000
    113      -1.2134      0.00000
    114      -0.5598      0.00000
    115      -0.1915      0.00000
    116      -0.1698      0.00000
    117       0.6303      0.00000
    118       0.6788      0.00000
    119       0.7261      0.00000
    120       0.9857      0.00000
    121       1.1172      0.00000
    122       1.2408      0.00000
    123       1.3437      0.00000
    124       1.4498      0.00000
    125       1.4983      0.00000
    126       1.7444      0.00000
    127       1.7666      0.00000
    128       1.8007      0.00000
    129       1.8571      0.00000
    130       1.9516      0.00000
    131       2.1741      0.00000
    132       2.2146      0.00000
    133       2.2691      0.00000
    134       2.4307      0.00000
    135       2.5089      0.00000
    136       2.6194      0.00000
    137       2.6927      0.00000
    138       2.6985      0.00000
    139       2.7825      0.00000
    140       2.8086      0.00000
    141       2.8571      0.00000
    142       2.8609      0.00000
    143       3.0000      0.00000
    144       3.0705      0.00000
    145       3.2785      0.00000
    146       3.3648      0.00000
    147       3.3750      0.00000
    148       3.4471      0.00000
    149       3.5318      0.00000
    150       3.5943      0.00000
    151       3.6580      0.00000
    152       3.7296      0.00000
    153       3.7692      0.00000
    154       3.9363      0.00000
    155       3.9617      0.00000
    156       4.0473      0.00000
    157       4.0884      0.00000
    158       4.1694      0.00000
    159       4.2473      0.00000
    160       4.2740      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2225      1.00000
      2     -22.0311      1.00000
      3     -21.6713      1.00000
      4     -21.6419      1.00000
      5     -20.9277      1.00000
      6     -20.8973      1.00000
      7     -20.5674      1.00000
      8     -20.5326      1.00000
      9     -20.5240      1.00000
     10     -19.9911      1.00000
     11     -19.4663      1.00000
     12     -19.4368      1.00000
     13     -19.2743      1.00000
     14     -19.2539      1.00000
     15     -18.4054      1.00000
     16     -18.3680      1.00000
     17     -17.8953      1.00000
     18     -17.8650      1.00000
     19     -17.7168      1.00000
     20     -17.6827      1.00000
     21     -17.4077      1.00000
     22     -17.3831      1.00000
     23     -17.3047      1.00000
     24     -16.4325      1.00000
     25     -16.4123      1.00000
     26     -15.9173      1.00000
     27     -15.3891      1.00000
     28     -15.3592      1.00000
     29     -15.0729      1.00000
     30     -15.0454      1.00000
     31     -14.8374      1.00000
     32     -14.8032      1.00000
     33     -14.2531      1.00000
     34     -14.2152      1.00000
     35     -13.4114      1.00000
     36     -13.3615      1.00000
     37     -13.1601      1.00000
     38     -13.1304      1.00000
     39     -12.9361      1.00000
     40     -12.9262      1.00000
     41     -12.6026      1.00000
     42     -12.5702      1.00000
     43     -12.1691      1.00000
     44     -11.5634      1.00000
     45     -11.5031      1.00000
     46     -11.3008      1.00000
     47     -11.2499      1.00000
     48     -11.1206      1.00000
     49     -10.6813      1.00000
     50     -10.6329      1.00000
     51     -10.4475      1.00000
     52     -10.2869      1.00000
     53     -10.2749      1.00000
     54     -10.1602      1.00000
     55     -10.0844      1.00000
     56     -10.0701      1.00000
     57      -9.7886      1.00000
     58      -9.7383      1.00000
     59      -9.6947      1.00000
     60      -9.6737      1.00000
     61      -9.6595      1.00000
     62      -9.5978      1.00000
     63      -9.3378      1.00000
     64      -9.3204      1.00000
     65      -9.2871      1.00000
     66      -9.0296      1.00000
     67      -8.9321      1.00000
     68      -8.8419      1.00000
     69      -8.7612      1.00000
     70      -8.5919      1.00000
     71      -8.4955      1.00000
     72      -8.3698      1.00000
     73      -8.3633      1.00000
     74      -8.3034      1.00000
     75      -8.2440      1.00000
     76      -8.2423      1.00000
     77      -8.2233      1.00000
     78      -8.1959      1.00000
     79      -7.8745      1.00000
     80      -7.7447      1.00000
     81      -7.3706      1.00000
     82      -7.3146      1.00000
     83      -7.2986      1.00000
     84      -7.2070      1.00000
     85      -7.1797      1.00000
     86      -6.9494      1.00000
     87      -6.9309      1.00000
     88      -6.5930      1.00000
     89      -6.5388      1.00000
     90      -6.2651      1.00000
     91      -6.2012      1.00000
     92      -5.9818      1.00000
     93      -5.8152      1.00000
     94      -5.6688      1.00000
     95      -5.5139      1.00000
     96      -5.3307      1.00000
     97      -5.3052      1.00000
     98      -5.1923      1.00000
     99      -5.1897      1.00000
    100      -5.1076      1.00000
    101      -4.6900      1.00000
    102      -4.5500      1.00000
    103      -4.4516      1.00000
    104      -3.9148      1.00000
    105      -3.7074      1.00000
    106      -3.5366      1.00000
    107      -2.9658      0.00000
    108      -1.8172      0.00000
    109      -1.7619      0.00000
    110      -1.0855      0.00000
    111      -0.9717      0.00000
    112      -0.9415      0.00000
    113      -0.6474      0.00000
    114      -0.6054      0.00000
    115      -0.5684      0.00000
    116      -0.5315      0.00000
    117       0.1755      0.00000
    118       0.2574      0.00000
    119       0.7918      0.00000
    120       1.0080      0.00000
    121       1.1156      0.00000
    122       1.1683      0.00000
    123       1.3578      0.00000
    124       1.4824      0.00000
    125       1.5919      0.00000
    126       1.5963      0.00000
    127       1.6912      0.00000
    128       1.9129      0.00000
    129       1.9549      0.00000
    130       2.0335      0.00000
    131       2.1947      0.00000
    132       2.3449      0.00000
    133       2.3904      0.00000
    134       2.4151      0.00000
    135       2.6018      0.00000
    136       2.6887      0.00000
    137       2.7468      0.00000
    138       2.7836      0.00000
    139       2.8467      0.00000
    140       3.0088      0.00000
    141       3.0563      0.00000
    142       3.0914      0.00000
    143       3.1426      0.00000
    144       3.2653      0.00000
    145       3.3317      0.00000
    146       3.3987      0.00000
    147       3.4637      0.00000
    148       3.5445      0.00000
    149       3.5827      0.00000
    150       3.6057      0.00000
    151       3.6850      0.00000
    152       3.7106      0.00000
    153       3.7749      0.00000
    154       3.7921      0.00000
    155       3.8001      0.00000
    156       3.9451      0.00000
    157       3.9531      0.00000
    158       4.0419      0.00000
    159       4.1982      0.00000
    160       4.2619      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2595      1.00000
      2     -21.8880      1.00000
      3     -21.8754      1.00000
      4     -21.3268      1.00000
      5     -21.3147      1.00000
      6     -20.7708      1.00000
      7     -20.7560      1.00000
      8     -20.5784      1.00000
      9     -20.0299      1.00000
     10     -20.0276      1.00000
     11     -19.6716      1.00000
     12     -19.6570      1.00000
     13     -18.9485      1.00000
     14     -18.9483      1.00000
     15     -18.5931      1.00000
     16     -18.5929      1.00000
     17     -18.4179      1.00000
     18     -17.6427      1.00000
     19     -17.5872      1.00000
     20     -17.5649      1.00000
     21     -17.5601      1.00000
     22     -17.0736      1.00000
     23     -17.0726      1.00000
     24     -16.9204      1.00000
     25     -15.9539      1.00000
     26     -15.9043      1.00000
     27     -15.5477      1.00000
     28     -15.5312      1.00000
     29     -15.2682      1.00000
     30     -14.8171      1.00000
     31     -14.7945      1.00000
     32     -14.5407      1.00000
     33     -14.5101      1.00000
     34     -14.1318      1.00000
     35     -14.1277      1.00000
     36     -13.1048      1.00000
     37     -13.0410      1.00000
     38     -13.0180      1.00000
     39     -12.9865      1.00000
     40     -12.6759      1.00000
     41     -12.6736      1.00000
     42     -12.2881      1.00000
     43     -12.2815      1.00000
     44     -11.6531      1.00000
     45     -11.5999      1.00000
     46     -11.5397      1.00000
     47     -10.9406      1.00000
     48     -10.8913      1.00000
     49     -10.6375      1.00000
     50     -10.5961      1.00000
     51     -10.4751      1.00000
     52     -10.4645      1.00000
     53     -10.4058      1.00000
     54     -10.4030      1.00000
     55     -10.3143      1.00000
     56     -10.0394      1.00000
     57      -9.8757      1.00000
     58      -9.5844      1.00000
     59      -9.5210      1.00000
     60      -9.5027      1.00000
     61      -9.3786      1.00000
     62      -9.3706      1.00000
     63      -9.3402      1.00000
     64      -9.2943      1.00000
     65      -9.2417      1.00000
     66      -9.1705      1.00000
     67      -9.1267      1.00000
     68      -9.0831      1.00000
     69      -8.8451      1.00000
     70      -8.8245      1.00000
     71      -8.6814      1.00000
     72      -8.5742      1.00000
     73      -8.4191      1.00000
     74      -8.1997      1.00000
     75      -8.1523      1.00000
     76      -7.9741      1.00000
     77      -7.8825      1.00000
     78      -7.8192      1.00000
     79      -7.7928      1.00000
     80      -7.7666      1.00000
     81      -7.6754      1.00000
     82      -7.6210      1.00000
     83      -7.4097      1.00000
     84      -7.3503      1.00000
     85      -6.8999      1.00000
     86      -6.8909      1.00000
     87      -6.7309      1.00000
     88      -6.6470      1.00000
     89      -6.4084      1.00000
     90      -6.3303      1.00000
     91      -6.2893      1.00000
     92      -6.1840      1.00000
     93      -5.9724      1.00000
     94      -5.5807      1.00000
     95      -5.4783      1.00000
     96      -5.4113      1.00000
     97      -5.3706      1.00000
     98      -5.1936      1.00000
     99      -5.1066      1.00000
    100      -4.7529      1.00000
    101      -4.7038      1.00000
    102      -4.5700      1.00000
    103      -4.4198      1.00000
    104      -4.2013      1.00000
    105      -3.5546      1.00000
    106      -3.3951      1.00000
    107      -3.0488      0.00000
    108      -2.1025      0.00000
    109      -1.2454      0.00000
    110      -1.2039      0.00000
    111      -1.1755      0.00000
    112      -0.9320      0.00000
    113      -0.8333      0.00000
    114      -0.7840      0.00000
    115      -0.7018      0.00000
    116       0.1966      0.00000
    117       0.2014      0.00000
    118       0.3062      0.00000
    119       0.7704      0.00000
    120       0.8229      0.00000
    121       0.9127      0.00000
    122       1.1218      0.00000
    123       1.3299      0.00000
    124       1.5084      0.00000
    125       1.5872      0.00000
    126       1.8088      0.00000
    127       1.8358      0.00000
    128       1.8792      0.00000
    129       1.9698      0.00000
    130       1.9916      0.00000
    131       2.2553      0.00000
    132       2.4075      0.00000
    133       2.4243      0.00000
    134       2.4343      0.00000
    135       2.5590      0.00000
    136       2.5903      0.00000
    137       2.6314      0.00000
    138       2.7202      0.00000
    139       2.7361      0.00000
    140       2.9649      0.00000
    141       3.0611      0.00000
    142       3.1321      0.00000
    143       3.1973      0.00000
    144       3.2436      0.00000
    145       3.2480      0.00000
    146       3.3130      0.00000
    147       3.3463      0.00000
    148       3.5223      0.00000
    149       3.5250      0.00000
    150       3.6283      0.00000
    151       3.6980      0.00000
    152       3.7430      0.00000
    153       3.8089      0.00000
    154       3.9302      0.00000
    155       3.9900      0.00000
    156       3.9944      0.00000
    157       4.0011      0.00000
    158       4.0215      0.00000
    159       4.0351      0.00000
    160       4.1432      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1277      1.00000
      2     -22.0889      1.00000
      3     -21.9179      1.00000
      4     -21.3585      1.00000
      5     -21.0038      1.00000
      6     -20.9678      1.00000
      7     -20.4523      1.00000
      8     -20.4142      1.00000
      9     -20.2610      1.00000
     10     -20.2309      1.00000
     11     -19.9004      1.00000
     12     -19.8626      1.00000
     13     -18.8276      1.00000
     14     -18.7840      1.00000
     15     -18.3115      1.00000
     16     -18.2608      1.00000
     17     -18.1209      1.00000
     18     -18.0917      1.00000
     19     -17.7852      1.00000
     20     -17.7460      1.00000
     21     -17.2252      1.00000
     22     -17.1942      1.00000
     23     -17.1321      1.00000
     24     -17.0935      1.00000
     25     -16.0576      1.00000
     26     -15.8596      1.00000
     27     -15.8218      1.00000
     28     -15.7888      1.00000
     29     -15.2087      1.00000
     30     -14.5304      1.00000
     31     -14.4844      1.00000
     32     -14.2531      1.00000
     33     -13.9292      1.00000
     34     -13.9177      1.00000
     35     -13.7915      1.00000
     36     -13.7625      1.00000
     37     -13.5822      1.00000
     38     -13.5338      1.00000
     39     -13.3227      1.00000
     40     -12.5843      1.00000
     41     -12.1754      1.00000
     42     -12.1007      1.00000
     43     -12.0349      1.00000
     44     -11.9900      1.00000
     45     -11.6558      1.00000
     46     -11.6207      1.00000
     47     -11.1382      1.00000
     48     -11.0831      1.00000
     49     -10.7810      1.00000
     50     -10.7047      1.00000
     51     -10.4041      1.00000
     52     -10.1923      1.00000
     53     -10.1676      1.00000
     54     -10.1261      1.00000
     55      -9.9936      1.00000
     56      -9.9821      1.00000
     57      -9.9402      1.00000
     58      -9.7945      1.00000
     59      -9.7696      1.00000
     60      -9.7420      1.00000
     61      -9.7206      1.00000
     62      -9.4377      1.00000
     63      -9.3354      1.00000
     64      -9.0894      1.00000
     65      -9.0434      1.00000
     66      -9.0030      1.00000
     67      -8.8913      1.00000
     68      -8.8253      1.00000
     69      -8.7082      1.00000
     70      -8.6649      1.00000
     71      -8.5671      1.00000
     72      -8.5078      1.00000
     73      -8.4720      1.00000
     74      -8.4370      1.00000
     75      -8.3320      1.00000
     76      -8.1981      1.00000
     77      -8.0663      1.00000
     78      -7.9802      1.00000
     79      -7.9076      1.00000
     80      -7.8803      1.00000
     81      -7.6951      1.00000
     82      -7.5616      1.00000
     83      -7.4935      1.00000
     84      -6.9787      1.00000
     85      -6.9090      1.00000
     86      -6.8591      1.00000
     87      -6.7410      1.00000
     88      -6.5202      1.00000
     89      -6.4684      1.00000
     90      -6.3790      1.00000
     91      -6.1927      1.00000
     92      -5.9292      1.00000
     93      -5.7959      1.00000
     94      -5.7498      1.00000
     95      -5.5569      1.00000
     96      -5.3760      1.00000
     97      -5.2435      1.00000
     98      -5.1956      1.00000
     99      -5.1816      1.00000
    100      -5.1222      1.00000
    101      -4.8096      1.00000
    102      -4.5398      1.00000
    103      -4.4579      1.00000
    104      -4.2454      1.00000
    105      -3.5556      1.00000
    106      -3.2898      1.00000
    107      -2.9384      0.00000
    108      -2.3433      0.00000
    109      -1.1826      0.00000
    110      -1.1640      0.00000
    111      -1.1146      0.00000
    112      -1.0589      0.00000
    113      -0.5033      0.00000
    114      -0.4563      0.00000
    115      -0.2972      0.00000
    116      -0.2724      0.00000
    117       0.0006      0.00000
    118       0.0356      0.00000
    119       0.5321      0.00000
    120       0.6427      0.00000
    121       0.8863      0.00000
    122       0.9829      0.00000
    123       1.1910      0.00000
    124       1.5374      0.00000
    125       1.7681      0.00000
    126       1.7875      0.00000
    127       2.0092      0.00000
    128       2.1278      0.00000
    129       2.1374      0.00000
    130       2.1516      0.00000
    131       2.2649      0.00000
    132       2.3112      0.00000
    133       2.3644      0.00000
    134       2.4644      0.00000
    135       2.6703      0.00000
    136       2.7573      0.00000
    137       2.7996      0.00000
    138       2.8804      0.00000
    139       2.9691      0.00000
    140       3.0089      0.00000
    141       3.0634      0.00000
    142       3.1178      0.00000
    143       3.1702      0.00000
    144       3.2423      0.00000
    145       3.2700      0.00000
    146       3.3013      0.00000
    147       3.3311      0.00000
    148       3.3523      0.00000
    149       3.4114      0.00000
    150       3.5412      0.00000
    151       3.6276      0.00000
    152       3.6788      0.00000
    153       3.7049      0.00000
    154       3.7151      0.00000
    155       3.7359      0.00000
    156       3.7948      0.00000
    157       3.9667      0.00000
    158       4.0662      0.00000
    159       4.1450      0.00000
    160       4.2728      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2591      1.00000
      2     -21.9008      1.00000
      3     -21.8627      1.00000
      4     -21.3382      1.00000
      5     -21.3025      1.00000
      6     -20.7826      1.00000
      7     -20.7444      1.00000
      8     -20.5783      1.00000
      9     -20.0475      1.00000
     10     -20.0117      1.00000
     11     -19.6808      1.00000
     12     -19.6459      1.00000
     13     -18.9683      1.00000
     14     -18.9307      1.00000
     15     -18.6124      1.00000
     16     -18.5750      1.00000
     17     -18.4176      1.00000
     18     -17.6325      1.00000
     19     -17.5875      1.00000
     20     -17.5664      1.00000
     21     -17.5492      1.00000
     22     -17.0981      1.00000
     23     -17.0556      1.00000
     24     -16.9379      1.00000
     25     -15.9813      1.00000
     26     -15.8699      1.00000
     27     -15.5673      1.00000
     28     -15.5281      1.00000
     29     -15.2317      1.00000
     30     -14.8494      1.00000
     31     -14.7914      1.00000
     32     -14.5381      1.00000
     33     -14.5005      1.00000
     34     -14.1284      1.00000
     35     -14.1164      1.00000
     36     -13.1562      1.00000
     37     -13.0497      1.00000
     38     -12.9963      1.00000
     39     -12.9764      1.00000
     40     -12.6997      1.00000
     41     -12.6543      1.00000
     42     -12.2977      1.00000
     43     -12.2783      1.00000
     44     -11.6192      1.00000
     45     -11.5862      1.00000
     46     -11.5260      1.00000
     47     -10.9227      1.00000
     48     -10.8964      1.00000
     49     -10.7121      1.00000
     50     -10.5665      1.00000
     51     -10.5342      1.00000
     52     -10.4659      1.00000
     53     -10.4256      1.00000
     54     -10.3664      1.00000
     55     -10.3153      1.00000
     56     -10.0341      1.00000
     57      -9.8700      1.00000
     58      -9.6019      1.00000
     59      -9.5227      1.00000
     60      -9.4542      1.00000
     61      -9.4032      1.00000
     62      -9.3727      1.00000
     63      -9.3420      1.00000
     64      -9.2974      1.00000
     65      -9.2453      1.00000
     66      -9.1343      1.00000
     67      -9.0881      1.00000
     68      -9.0716      1.00000
     69      -8.8509      1.00000
     70      -8.8325      1.00000
     71      -8.7030      1.00000
     72      -8.5599      1.00000
     73      -8.4375      1.00000
     74      -8.1981      1.00000
     75      -8.1696      1.00000
     76      -8.0390      1.00000
     77      -7.8668      1.00000
     78      -7.8038      1.00000
     79      -7.7706      1.00000
     80      -7.7175      1.00000
     81      -7.6795      1.00000
     82      -7.6414      1.00000
     83      -7.4468      1.00000
     84      -7.3079      1.00000
     85      -6.9188      1.00000
     86      -6.8879      1.00000
     87      -6.7761      1.00000
     88      -6.5573      1.00000
     89      -6.3888      1.00000
     90      -6.3223      1.00000
     91      -6.2777      1.00000
     92      -6.1696      1.00000
     93      -6.0675      1.00000
     94      -5.7831      1.00000
     95      -5.5316      1.00000
     96      -5.3563      1.00000
     97      -5.2043      1.00000
     98      -5.1774      1.00000
     99      -5.0298      1.00000
    100      -4.8138      1.00000
    101      -4.6691      1.00000
    102      -4.4934      1.00000
    103      -4.4314      1.00000
    104      -4.2367      1.00000
    105      -3.6320      1.00000
    106      -3.5469      1.00000
    107      -2.8444      0.00000
    108      -2.1353      0.00000
    109      -1.2455      0.00000
    110      -1.1890      0.00000
    111      -1.1781      0.00000
    112      -0.8857      0.00000
    113      -0.8671      0.00000
    114      -0.7860      0.00000
    115      -0.7530      0.00000
    116       0.1435      0.00000
    117       0.2446      0.00000
    118       0.3167      0.00000
    119       0.7228      0.00000
    120       0.8581      0.00000
    121       0.9367      0.00000
    122       1.1677      0.00000
    123       1.2638      0.00000
    124       1.5215      0.00000
    125       1.5851      0.00000
    126       1.7990      0.00000
    127       1.8851      0.00000
    128       1.8939      0.00000
    129       1.9714      0.00000
    130       2.0536      0.00000
    131       2.2258      0.00000
    132       2.3418      0.00000
    133       2.4354      0.00000
    134       2.4483      0.00000
    135       2.5796      0.00000
    136       2.6081      0.00000
    137       2.6658      0.00000
    138       2.7203      0.00000
    139       2.7612      0.00000
    140       2.9006      0.00000
    141       3.0489      0.00000
    142       3.1463      0.00000
    143       3.2046      0.00000
    144       3.2317      0.00000
    145       3.2467      0.00000
    146       3.2863      0.00000
    147       3.3447      0.00000
    148       3.4468      0.00000
    149       3.5521      0.00000
    150       3.6114      0.00000
    151       3.6959      0.00000
    152       3.7236      0.00000
    153       3.8620      0.00000
    154       3.9053      0.00000
    155       3.9384      0.00000
    156       3.9660      0.00000
    157       4.0201      0.00000
    158       4.0246      0.00000
    159       4.0391      0.00000
    160       4.0855      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3340      1.00000
      2     -21.7736      1.00000
      3     -21.5926      1.00000
      4     -21.5683      1.00000
      5     -21.2235      1.00000
      6     -21.1944      1.00000
      7     -21.0188      1.00000
      8     -20.1190      1.00000
      9     -20.0876      1.00000
     10     -19.5766      1.00000
     11     -19.5422      1.00000
     12     -19.3729      1.00000
     13     -19.0609      1.00000
     14     -19.0206      1.00000
     15     -19.0034      1.00000
     16     -18.9855      1.00000
     17     -18.3333      1.00000
     18     -18.3022      1.00000
     19     -17.9738      1.00000
     20     -17.0235      1.00000
     21     -16.9826      1.00000
     22     -16.9253      1.00000
     23     -16.8994      1.00000
     24     -16.4543      1.00000
     25     -16.4195      1.00000
     26     -15.5758      1.00000
     27     -15.5474      1.00000
     28     -15.2042      1.00000
     29     -15.1817      1.00000
     30     -15.1629      1.00000
     31     -15.0834      1.00000
     32     -15.0293      1.00000
     33     -14.6699      1.00000
     34     -14.6433      1.00000
     35     -13.7035      1.00000
     36     -13.6715      1.00000
     37     -13.2076      1.00000
     38     -12.6397      1.00000
     39     -12.5387      1.00000
     40     -12.4264      1.00000
     41     -12.4039      1.00000
     42     -12.0736      1.00000
     43     -12.0525      1.00000
     44     -11.6769      1.00000
     45     -11.6449      1.00000
     46     -11.2873      1.00000
     47     -11.1847      1.00000
     48     -10.9961      1.00000
     49     -10.9646      1.00000
     50     -10.8882      1.00000
     51     -10.8559      1.00000
     52     -10.5619      1.00000
     53     -10.2064      1.00000
     54     -10.1167      1.00000
     55     -10.0598      1.00000
     56      -9.8897      1.00000
     57      -9.6628      1.00000
     58      -9.6624      1.00000
     59      -9.6263      1.00000
     60      -9.6001      1.00000
     61      -9.5328      1.00000
     62      -9.4735      1.00000
     63      -9.3132      1.00000
     64      -9.2651      1.00000
     65      -9.2208      1.00000
     66      -9.1933      1.00000
     67      -9.0955      1.00000
     68      -9.0907      1.00000
     69      -9.0689      1.00000
     70      -8.9028      1.00000
     71      -8.8377      1.00000
     72      -8.5731      1.00000
     73      -8.5589      1.00000
     74      -8.1716      1.00000
     75      -8.0110      1.00000
     76      -7.9483      1.00000
     77      -7.8827      1.00000
     78      -7.7764      1.00000
     79      -7.7282      1.00000
     80      -7.7135      1.00000
     81      -7.4027      1.00000
     82      -7.2823      1.00000
     83      -7.2450      1.00000
     84      -7.2177      1.00000
     85      -7.1531      1.00000
     86      -6.9675      1.00000
     87      -6.8568      1.00000
     88      -6.6937      1.00000
     89      -6.6617      1.00000
     90      -6.5853      1.00000
     91      -6.1598      1.00000
     92      -6.0873      1.00000
     93      -6.0719      1.00000
     94      -5.9088      1.00000
     95      -5.8822      1.00000
     96      -5.3764      1.00000
     97      -5.1907      1.00000
     98      -4.8724      1.00000
     99      -4.8562      1.00000
    100      -4.6466      1.00000
    101      -4.5240      1.00000
    102      -4.3908      1.00000
    103      -4.2657      1.00000
    104      -4.0640      1.00000
    105      -4.0392      1.00000
    106      -3.5654      1.00000
    107      -2.8658      0.00000
    108      -1.7041      0.00000
    109      -1.6984      0.00000
    110      -1.3070      0.00000
    111      -1.2607      0.00000
    112      -1.2302      0.00000
    113      -1.2294      0.00000
    114      -0.5671      0.00000
    115      -0.2541      0.00000
    116      -0.1142      0.00000
    117       0.5854      0.00000
    118       0.6761      0.00000
    119       0.8088      0.00000
    120       0.9574      0.00000
    121       1.1403      0.00000
    122       1.2050      0.00000
    123       1.2834      0.00000
    124       1.4589      0.00000
    125       1.6216      0.00000
    126       1.6901      0.00000
    127       1.7784      0.00000
    128       1.7850      0.00000
    129       1.9126      0.00000
    130       1.9400      0.00000
    131       2.1852      0.00000
    132       2.1977      0.00000
    133       2.2393      0.00000
    134       2.4730      0.00000
    135       2.5105      0.00000
    136       2.6030      0.00000
    137       2.6430      0.00000
    138       2.7097      0.00000
    139       2.8304      0.00000
    140       2.8338      0.00000
    141       2.8613      0.00000
    142       2.9612      0.00000
    143       2.9829      0.00000
    144       3.0276      0.00000
    145       3.1491      0.00000
    146       3.3569      0.00000
    147       3.3833      0.00000
    148       3.4283      0.00000
    149       3.5933      0.00000
    150       3.6216      0.00000
    151       3.6385      0.00000
    152       3.6811      0.00000
    153       3.7938      0.00000
    154       3.8107      0.00000
    155       4.0129      0.00000
    156       4.0370      0.00000
    157       4.0595      0.00000
    158       4.1347      0.00000
    159       4.2421      0.00000
    160       4.3566      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1176      1.00000
      2     -22.1011      1.00000
      3     -21.9159      1.00000
      4     -21.3586      1.00000
      5     -20.9918      1.00000
      6     -20.9801      1.00000
      7     -20.4404      1.00000
      8     -20.4265      1.00000
      9     -20.2470      1.00000
     10     -20.2455      1.00000
     11     -19.8881      1.00000
     12     -19.8739      1.00000
     13     -18.8219      1.00000
     14     -18.7951      1.00000
     15     -18.2834      1.00000
     16     -18.2778      1.00000
     17     -18.1125      1.00000
     18     -18.1055      1.00000
     19     -17.7653      1.00000
     20     -17.7614      1.00000
     21     -17.2296      1.00000
     22     -17.2013      1.00000
     23     -17.1152      1.00000
     24     -17.0986      1.00000
     25     -16.0917      1.00000
     26     -15.8319      1.00000
     27     -15.8209      1.00000
     28     -15.8052      1.00000
     29     -15.1832      1.00000
     30     -14.5111      1.00000
     31     -14.4978      1.00000
     32     -14.2283      1.00000
     33     -13.9640      1.00000
     34     -13.9257      1.00000
     35     -13.7896      1.00000
     36     -13.7770      1.00000
     37     -13.5587      1.00000
     38     -13.5399      1.00000
     39     -13.3295      1.00000
     40     -12.6103      1.00000
     41     -12.1291      1.00000
     42     -12.1185      1.00000
     43     -12.0065      1.00000
     44     -11.9895      1.00000
     45     -11.6521      1.00000
     46     -11.6370      1.00000
     47     -11.1390      1.00000
     48     -11.1013      1.00000
     49     -10.7591      1.00000
     50     -10.7012      1.00000
     51     -10.4415      1.00000
     52     -10.1729      1.00000
     53     -10.1656      1.00000
     54     -10.1488      1.00000
     55     -10.0028      1.00000
     56      -9.9633      1.00000
     57      -9.9366      1.00000
     58      -9.8141      1.00000
     59      -9.7652      1.00000
     60      -9.7426      1.00000
     61      -9.7286      1.00000
     62      -9.4311      1.00000
     63      -9.3321      1.00000
     64      -9.0776      1.00000
     65      -9.0400      1.00000
     66      -8.9680      1.00000
     67      -8.9405      1.00000
     68      -8.8008      1.00000
     69      -8.6833      1.00000
     70      -8.6669      1.00000
     71      -8.5462      1.00000
     72      -8.5141      1.00000
     73      -8.4439      1.00000
     74      -8.4370      1.00000
     75      -8.2997      1.00000
     76      -8.2309      1.00000
     77      -8.1097      1.00000
     78      -8.0483      1.00000
     79      -8.0242      1.00000
     80      -7.7889      1.00000
     81      -7.6006      1.00000
     82      -7.5924      1.00000
     83      -7.4603      1.00000
     84      -7.0028      1.00000
     85      -6.9481      1.00000
     86      -6.8627      1.00000
     87      -6.5742      1.00000
     88      -6.5402      1.00000
     89      -6.4590      1.00000
     90      -6.4066      1.00000
     91      -6.3298      1.00000
     92      -5.9849      1.00000
     93      -5.7691      1.00000
     94      -5.7271      1.00000
     95      -5.5591      1.00000
     96      -5.3793      1.00000
     97      -5.2042      1.00000
     98      -5.1994      1.00000
     99      -5.1778      1.00000
    100      -5.1558      1.00000
    101      -4.6486      1.00000
    102      -4.5018      1.00000
    103      -4.4423      1.00000
    104      -4.3847      1.00000
    105      -3.5727      1.00000
    106      -3.4308      1.00000
    107      -2.7329      0.00000
    108      -2.4080      0.00000
    109      -1.1651      0.00000
    110      -1.1572      0.00000
    111      -1.1471      0.00000
    112      -1.0516      0.00000
    113      -0.4883      0.00000
    114      -0.4786      0.00000
    115      -0.3229      0.00000
    116      -0.2467      0.00000
    117       0.0052      0.00000
    118       0.0085      0.00000
    119       0.5228      0.00000
    120       0.6642      0.00000
    121       0.8236      0.00000
    122       1.0080      0.00000
    123       1.2466      0.00000
    124       1.5078      0.00000
    125       1.7682      0.00000
    126       1.9623      0.00000
    127       1.9648      0.00000
    128       2.0327      0.00000
    129       2.1125      0.00000
    130       2.1835      0.00000
    131       2.2893      0.00000
    132       2.2952      0.00000
    133       2.3681      0.00000
    134       2.5639      0.00000
    135       2.6391      0.00000
    136       2.6881      0.00000
    137       2.8538      0.00000
    138       2.8930      0.00000
    139       2.9685      0.00000
    140       2.9973      0.00000
    141       3.1369      0.00000
    142       3.1472      0.00000
    143       3.1521      0.00000
    144       3.1870      0.00000
    145       3.2493      0.00000
    146       3.2534      0.00000
    147       3.3400      0.00000
    148       3.3576      0.00000
    149       3.4257      0.00000
    150       3.4316      0.00000
    151       3.5203      0.00000
    152       3.6440      0.00000
    153       3.6926      0.00000
    154       3.7197      0.00000
    155       3.8439      0.00000
    156       3.9165      0.00000
    157       3.9734      0.00000
    158       4.0029      0.00000
    159       4.1248      0.00000
    160       4.2150      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2214      1.00000
      2     -22.0335      1.00000
      3     -21.6684      1.00000
      4     -21.6430      1.00000
      5     -20.9277      1.00000
      6     -20.8976      1.00000
      7     -20.5581      1.00000
      8     -20.5384      1.00000
      9     -20.5277      1.00000
     10     -19.9913      1.00000
     11     -19.4667      1.00000
     12     -19.4337      1.00000
     13     -19.2807      1.00000
     14     -19.2534      1.00000
     15     -18.3994      1.00000
     16     -18.3679      1.00000
     17     -17.8973      1.00000
     18     -17.8650      1.00000
     19     -17.7148      1.00000
     20     -17.6809      1.00000
     21     -17.4124      1.00000
     22     -17.3816      1.00000
     23     -17.2947      1.00000
     24     -16.4536      1.00000
     25     -16.4145      1.00000
     26     -15.9361      1.00000
     27     -15.3789      1.00000
     28     -15.3511      1.00000
     29     -15.0673      1.00000
     30     -15.0378      1.00000
     31     -14.8102      1.00000
     32     -14.7885      1.00000
     33     -14.2861      1.00000
     34     -14.2145      1.00000
     35     -13.4432      1.00000
     36     -13.3604      1.00000
     37     -13.1522      1.00000
     38     -13.1207      1.00000
     39     -12.9607      1.00000
     40     -12.9304      1.00000
     41     -12.5862      1.00000
     42     -12.5592      1.00000
     43     -12.1738      1.00000
     44     -11.5343      1.00000
     45     -11.4984      1.00000
     46     -11.2732      1.00000
     47     -11.2446      1.00000
     48     -11.1310      1.00000
     49     -10.7664      1.00000
     50     -10.6256      1.00000
     51     -10.4493      1.00000
     52     -10.2816      1.00000
     53     -10.2749      1.00000
     54     -10.1657      1.00000
     55     -10.0884      1.00000
     56     -10.0562      1.00000
     57      -9.8049      1.00000
     58      -9.7043      1.00000
     59      -9.6908      1.00000
     60      -9.6833      1.00000
     61      -9.6699      1.00000
     62      -9.6039      1.00000
     63      -9.3439      1.00000
     64      -9.3165      1.00000
     65      -9.2863      1.00000
     66      -8.9688      1.00000
     67      -8.9290      1.00000
     68      -8.8788      1.00000
     69      -8.7469      1.00000
     70      -8.5594      1.00000
     71      -8.4827      1.00000
     72      -8.3997      1.00000
     73      -8.3595      1.00000
     74      -8.2861      1.00000
     75      -8.2396      1.00000
     76      -8.2239      1.00000
     77      -8.2100      1.00000
     78      -8.1927      1.00000
     79      -7.9954      1.00000
     80      -7.7792      1.00000
     81      -7.4140      1.00000
     82      -7.3176      1.00000
     83      -7.2396      1.00000
     84      -7.1401      1.00000
     85      -7.0946      1.00000
     86      -6.9557      1.00000
     87      -6.9082      1.00000
     88      -6.5841      1.00000
     89      -6.5576      1.00000
     90      -6.4342      1.00000
     91      -6.2470      1.00000
     92      -5.9033      1.00000
     93      -5.8225      1.00000
     94      -5.6744      1.00000
     95      -5.5833      1.00000
     96      -5.2945      1.00000
     97      -5.2599      1.00000
     98      -5.1839      1.00000
     99      -5.1834      1.00000
    100      -5.1601      1.00000
    101      -4.5225      1.00000
    102      -4.4558      1.00000
    103      -4.3977      1.00000
    104      -4.0755      1.00000
    105      -3.9277      1.00000
    106      -3.5183      1.00000
    107      -2.8152      0.00000
    108      -1.8046      0.00000
    109      -1.7931      0.00000
    110      -1.0779      0.00000
    111      -1.0099      0.00000
    112      -0.9262      0.00000
    113      -0.6545      0.00000
    114      -0.6058      0.00000
    115      -0.5696      0.00000
    116      -0.5277      0.00000
    117       0.1595      0.00000
    118       0.2633      0.00000
    119       0.7135      0.00000
    120       0.9761      0.00000
    121       1.0966      0.00000
    122       1.2566      0.00000
    123       1.4290      0.00000
    124       1.5359      0.00000
    125       1.6043      0.00000
    126       1.6354      0.00000
    127       1.6493      0.00000
    128       1.8492      0.00000
    129       1.9407      0.00000
    130       2.1181      0.00000
    131       2.2163      0.00000
    132       2.3482      0.00000
    133       2.3741      0.00000
    134       2.4739      0.00000
    135       2.6061      0.00000
    136       2.6651      0.00000
    137       2.7475      0.00000
    138       2.7519      0.00000
    139       2.8612      0.00000
    140       2.9682      0.00000
    141       3.0598      0.00000
    142       3.0766      0.00000
    143       3.1960      0.00000
    144       3.2934      0.00000
    145       3.3388      0.00000
    146       3.3508      0.00000
    147       3.4854      0.00000
    148       3.5344      0.00000
    149       3.5658      0.00000
    150       3.6038      0.00000
    151       3.6231      0.00000
    152       3.6977      0.00000
    153       3.7405      0.00000
    154       3.7816      0.00000
    155       3.7898      0.00000
    156       3.8596      0.00000
    157       3.9346      0.00000
    158       4.0222      0.00000
    159       4.0440      0.00000
    160       4.2911      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0451   -6.8588    2.8565   -0.4770   -0.0181   17.1422    0.0987   -0.0749    0.1199   -0.2122
x    -3.1503   -0.0333   -0.0584    0.0253    0.0334   -3.0236    0.0203   -0.0018   -0.0001    0.0000
x    -0.0932   -0.0011    0.0020   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0451    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0011    0.0005    0.0034   -0.0984   -0.0407    0.0701    0.0107
y     0.0426   -3.2490   -0.0994    0.2040   -2.4431   -0.6650
z   204.0451    1.9881    0.0141   -0.0670    0.0178    0.0775   -0.0028   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0614    0.0083    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8131
z    -0.5101    0.0396    0.0742    0.1452   -0.0978   -0.0018
 total charge-density along one line
x   212.0000   -9.6860    4.7910   -1.2799   -0.2535   19.0823   -1.1242    1.0512   -0.6832    0.2216
x    -2.7487   -0.0176   -0.0410    0.0178    0.0341   -2.3072    0.0196    0.0019   -0.0030   -0.0008
x    -0.0822    0.0012   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6860    4.7910   -1.2799   -0.2535   19.0823   -1.1242    1.0512   -0.6832    0.2216
y    -2.7487   -0.0176   -0.0410    0.0178    0.0341   -2.3072    0.0196    0.0019   -0.0030   -0.0008
y    -0.0822    0.0012   -0.0021    0.0004    0.0009   -0.0370    0.0003    0.0005   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6780  189.4289 -169.4352  151.1814 -136.5114  123.7922 -110.3183   94.7157  -77.7499
z    61.4790  -47.7835   37.3829  -29.7966   23.9797  -19.0429   14.6101  -10.7387    7.6183   -5.3167
z     3.7128   -2.5841    1.7325   -1.0504    0.5102   -0.1141   -0.1445    0.2910   -0.3583    0.3751
z    -0.3625    0.3369   -0.3106    0.2896   -0.2718    0.2502   -0.2188    0.1786   -0.1369    0.1022
z    -0.0794    0.0669   -0.0593    0.0517   -0.0421    0.0320   -0.0237    0.0184   -0.0157    0.0141
z    -0.0126    0.0107   -0.0088    0.0069   -0.0052    0.0039   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.196   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.268   0.000   0.298   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.069   0.037   0.000  -0.053   0.000   0.000
  0.279   0.000  -0.268   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.110   0.321  -0.103   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.027   0.000   0.059   0.001
 -0.305   0.000   0.298   0.000   0.182  -0.122   0.000   0.429   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.171   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.196   0.000   0.158   0.000   0.063  -0.110   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.069   0.321   0.000   0.148   0.000  -0.178   1.140  -0.353   0.000  -0.140   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.103   0.000  -0.138   0.000   0.061  -0.353   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.027   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.175  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.140   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.175   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.008   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.854   8.784
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.643
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.785   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.775   0.000   2.640
 17        0.849   1.732   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.783   0.000   2.646
 22        0.865   1.767   0.000   2.632
 23        0.864   1.775   0.000   2.639
 24        0.864   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.864   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.639
 36        0.865   1.767   0.000   2.632
 37        0.863   1.783   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.785   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.581
 42        0.865   1.775   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.643
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.792  89.406   7.854 142.052
 


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


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


    CHARGE:  VPU time  113.61: CPU time   57.51
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  441.99: CPU time  221.91
    STRESS:  VPU time 1357.83: CPU time  683.49
    FORCOR:  VPU time    8.69: CPU time    8.69
    FORHAR:  VPU time    2.27: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.8487582E-07[-0.328E-06, 0.159E-06]  d Energy = 0.1199078E-07-0.969E-07
 d Force =-0.9907958E-02[-0.991E-02,-0.991E-02]  d Ewald  = 0.4682862E-01-0.567E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648705 eV

  energy  without entropy=     -469.648705  energy(sigma->0) =     -469.648705
 

  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    40935.46  40980.94 -47641.19     39.39      0.00      0.00
  Hartree  40393.84  40418.59 -39642.27     21.43      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.30      0.00      0.00
  Local   -83620.16 -83687.84  84596.12    -58.62      0.00      0.00
  n-local   -214.72   -206.82   -206.57      5.95      0.00      0.00
  augment     21.82     19.28     20.59     -2.20      0.00      0.00
  Kinetic   3165.42   3163.62   3585.95     -8.01      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.48     -0.37     -0.41      0.09      0.00      0.00
  in kB       -0.29     -0.23     -0.25      0.05      0.00      0.00
  external pressure =       -0.26 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342269805 -0.001825547  0.000000000     0.081029296  0.046798336  0.000000000
    -6.172722512 10.687802248  0.000000000     0.000013840  0.093572599  0.000000000
     0.000000000  0.000000000 20.000397311     0.000000000  0.000000000  0.049999007

  length of vectors
    12.342269940 12.342269650 20.000397311     0.093572598  0.093572600  0.049999007


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.859E-05 -.311E-04 -.110E+04   0.447E-05 -.262E-04 0.110E+04   0.169E-20 0.169E-20 0.368E+01   0.369E-07 -.195E-07 -.671E-02
   -.268E+02 -.463E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.196E+00   0.309E-03 0.533E-03 -.182E-03
   0.268E+02 0.463E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.196E+00   -.309E-03 -.533E-03 -.182E-03
   -.210E+01 0.121E+01 0.308E+02   0.204E+01 -.118E+01 -.308E+02   0.503E-01 -.290E-01 0.703E-02   -.305E-03 0.173E-03 -.685E-04
   0.661E+01 0.652E+01 0.344E+02   -.659E+01 -.650E+01 -.343E+02   -.358E-01 -.958E-02 -.432E-01   0.300E-03 0.837E-04 0.542E-04
   0.117E+02 0.588E+01 0.251E+02   -.117E+02 -.590E+01 -.250E+02   -.524E-01 0.192E-01 -.120E+00   0.662E-04 0.113E-03 -.659E-04
   0.430E+01 -.107E+01 0.209E+02   -.430E+01 0.107E+01 -.209E+02   0.821E-03 -.838E-02 0.150E-01   -.138E-03 -.175E-03 -.284E-03
   -.287E+01 -.261E+01 0.221E+02   0.287E+01 0.259E+01 -.221E+02   -.355E-02 0.169E-01 0.208E-01   0.783E-05 -.297E-03 -.262E-03
   0.823E+00 0.379E+01 0.221E+02   -.807E+00 -.378E+01 -.221E+02   -.165E-01 -.540E-02 0.208E-01   0.256E-03 0.136E-03 -.267E-03
   0.289E+01 0.187E+02 0.369E+02   -.293E+01 -.187E+02 -.369E+02   0.312E-01 -.261E-01 -.210E-01   -.262E-03 -.164E-03 0.235E-03
   0.203E+02 0.223E+02 0.461E+02   -.203E+02 -.224E+02 -.458E+02   0.521E-02 0.120E+00 -.323E+00   -.319E-03 -.926E-03 0.619E-03
   0.274E+02 -.583E+01 0.229E+02   -.274E+02 0.589E+01 -.229E+02   0.941E-01 -.609E-01 0.111E-01   -.807E-03 0.596E-03 0.284E-03
   0.978E+01 -.565E+01 0.157E+02   -.973E+01 0.562E+01 -.157E+02   -.605E-01 0.350E-01 0.423E-01   0.348E-03 -.207E-03 -.343E-03
   0.308E+01 -.319E+01 0.209E+02   -.308E+01 0.319E+01 -.209E+02   0.767E-02 0.348E-02 0.150E-01   0.802E-04 0.203E-03 -.296E-03
   -.692E+01 0.128E+02 0.240E+02   0.690E+01 -.128E+02 -.240E+02   0.239E-01 -.139E-02 0.191E-01   0.362E-03 -.213E-03 -.435E-04
   -.134E+02 0.311E+02 0.319E+02   0.133E+02 -.315E+02 -.321E+02   0.103E+00 0.440E+00 0.270E+00   0.152E-03 -.400E-03 0.629E-03
   0.341E+02 -.197E+02 0.949E+01   -.353E+02 0.204E+02 -.118E+02   0.114E+01 -.658E+00 0.233E+01   0.129E-03 -.771E-04 0.655E-03
   0.187E+02 -.208E+02 0.229E+02   -.188E+02 0.208E+02 -.229E+02   0.998E-01 -.511E-01 0.111E-01   -.922E-03 0.393E-03 0.277E-03
   0.767E+00 -.131E+02 0.251E+02   -.723E+00 0.131E+02 -.250E+02   -.428E-01 0.358E-01 -.120E+00   -.621E-04 -.115E-03 -.743E-04
   -.409E+01 0.985E+00 0.175E+02   0.410E+01 -.100E+01 -.174E+02   -.285E-02 0.198E-01 -.802E-01   -.402E-03 -.155E-03 -.328E-03
   -.181E+02 0.105E+02 0.129E+02   0.181E+02 -.105E+02 -.127E+02   0.419E-02 -.242E-02 -.247E+00   0.160E-03 -.889E-04 0.911E-04
   -.336E+02 -.393E+01 0.319E+02   0.340E+02 0.424E+01 -.321E+02   -.329E+00 -.309E+00 0.270E+00   0.426E-03 0.684E-04 0.633E-03
   -.910E+01 -.287E+02 0.461E+02   0.920E+01 0.288E+02 -.458E+02   -.101E+00 -.644E-01 -.323E+00   0.645E-03 0.735E-03 0.616E-03
   -.234E+01 -.899E+01 0.344E+02   0.234E+01 0.896E+01 -.343E+02   -.962E-02 0.358E-01 -.432E-01   0.790E-04 -.303E-03 0.530E-04
   0.119E+01 -.688E+00 0.238E+02   -.118E+01 0.679E+00 -.237E+02   -.171E-01 0.985E-02 -.647E-01   0.204E-05 0.739E-06 -.267E-03
   -.290E+01 0.305E+01 0.175E+02   0.291E+01 -.305E+01 -.174E+02   -.186E-01 -.743E-02 -.802E-01   -.647E-04 0.430E-03 -.321E-03
   -.146E+02 -.422E+00 0.240E+02   0.146E+02 0.441E+00 -.240E+02   0.131E-01 -.200E-01 0.191E-01   0.367E-03 -.208E-03 -.319E-04
   -.148E+02 -.119E+02 0.369E+02   0.147E+02 0.119E+02 -.369E+02   0.382E-01 -.140E-01 -.210E-01   0.126E-04 0.304E-03 0.240E-03
   0.234E+01 0.899E+01 0.344E+02   -.234E+01 -.896E+01 -.343E+02   0.962E-02 -.358E-01 -.432E-01   -.790E-04 0.303E-03 0.530E-04
   0.148E+02 0.119E+02 0.369E+02   -.147E+02 -.119E+02 -.369E+02   -.382E-01 0.140E-01 -.210E-01   -.126E-04 -.304E-03 0.240E-03
   0.146E+02 0.421E+00 0.240E+02   -.146E+02 -.441E+00 -.240E+02   -.131E-01 0.200E-01 0.191E-01   -.367E-03 0.208E-03 -.320E-04
   0.290E+01 -.305E+01 0.175E+02   -.291E+01 0.305E+01 -.174E+02   0.186E-01 0.743E-02 -.802E-01   0.647E-04 -.430E-03 -.321E-03
   -.119E+01 0.688E+00 0.238E+02   0.118E+01 -.679E+00 -.237E+02   0.171E-01 -.985E-02 -.647E-01   -.205E-05 -.738E-06 -.267E-03
   -.767E+00 0.131E+02 0.251E+02   0.723E+00 -.131E+02 -.250E+02   0.428E-01 -.358E-01 -.120E+00   0.621E-04 0.115E-03 -.743E-04
   0.910E+01 0.287E+02 0.461E+02   -.920E+01 -.288E+02 -.458E+02   0.101E+00 0.644E-01 -.323E+00   -.645E-03 -.735E-03 0.616E-03
   0.336E+02 0.393E+01 0.319E+02   -.340E+02 -.424E+01 -.321E+02   0.329E+00 0.309E+00 0.270E+00   -.426E-03 -.684E-04 0.633E-03
   0.181E+02 -.105E+02 0.129E+02   -.181E+02 0.105E+02 -.127E+02   -.419E-02 0.242E-02 -.247E+00   -.160E-03 0.889E-04 0.911E-04
   0.409E+01 -.985E+00 0.175E+02   -.410E+01 0.100E+01 -.174E+02   0.285E-02 -.198E-01 -.802E-01   0.402E-03 0.155E-03 -.328E-03
   -.308E+01 0.319E+01 0.209E+02   0.308E+01 -.319E+01 -.209E+02   -.767E-02 -.348E-02 0.150E-01   -.802E-04 -.203E-03 -.296E-03
   -.187E+02 0.208E+02 0.229E+02   0.188E+02 -.208E+02 -.229E+02   -.998E-01 0.511E-01 0.111E-01   0.922E-03 -.393E-03 0.277E-03
   -.341E+02 0.197E+02 0.949E+01   0.353E+02 -.204E+02 -.118E+02   -.114E+01 0.658E+00 0.233E+01   -.129E-03 0.771E-04 0.655E-03
   0.134E+02 -.311E+02 0.319E+02   -.133E+02 0.315E+02 -.321E+02   -.103E+00 -.440E+00 0.270E+00   -.151E-03 0.400E-03 0.629E-03
   0.692E+01 -.128E+02 0.240E+02   -.690E+01 0.128E+02 -.240E+02   -.239E-01 0.139E-02 0.191E-01   -.362E-03 0.213E-03 -.435E-04
   -.823E+00 -.379E+01 0.221E+02   0.807E+00 0.378E+01 -.221E+02   0.165E-01 0.540E-02 0.208E-01   -.256E-03 -.136E-03 -.267E-03
   -.978E+01 0.565E+01 0.157E+02   0.973E+01 -.562E+01 -.157E+02   0.605E-01 -.350E-01 0.423E-01   -.348E-03 0.207E-03 -.343E-03
   -.274E+02 0.583E+01 0.229E+02   0.274E+02 -.589E+01 -.229E+02   -.941E-01 0.609E-01 0.111E-01   0.807E-03 -.596E-03 0.284E-03
   -.203E+02 -.223E+02 0.461E+02   0.203E+02 0.224E+02 -.458E+02   -.521E-02 -.120E+00 -.323E+00   0.319E-03 0.926E-03 0.619E-03
   -.289E+01 -.187E+02 0.369E+02   0.293E+01 0.187E+02 -.369E+02   -.312E-01 0.261E-01 -.210E-01   0.262E-03 0.164E-03 0.235E-03
   0.210E+01 -.121E+01 0.308E+02   -.204E+01 0.118E+01 -.308E+02   -.503E-01 0.290E-01 0.703E-02   0.305E-03 -.173E-03 -.685E-04
   0.287E+01 0.261E+01 0.221E+02   -.287E+01 -.259E+01 -.221E+02   0.355E-02 -.169E-01 0.208E-01   -.785E-05 0.297E-03 -.262E-03
   -.430E+01 0.107E+01 0.209E+02   0.430E+01 -.107E+01 -.209E+02   -.821E-03 0.838E-02 0.150E-01   0.138E-03 0.175E-03 -.284E-03
   -.117E+02 -.588E+01 0.251E+02   0.117E+02 0.590E+01 -.250E+02   0.524E-01 -.192E-01 -.120E+00   -.662E-04 -.113E-03 -.659E-04
   -.661E+01 -.652E+01 0.344E+02   0.659E+01 0.650E+01 -.343E+02   0.358E-01 0.958E-02 -.432E-01   -.300E-03 -.837E-04 0.542E-04
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.337E-03 -.640E+01   0.167E-12 0.172E-12 0.249E-12   0.763E-16 -.173E-17 0.643E+01   0.345E-07 -.165E-07 -.360E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85044      6.05563     12.41203         0.000000      0.000000      0.004188
      2.67785      7.48874     12.52408         0.000863      0.001494     -0.011525
      1.02303      4.62252     12.52408        -0.000863     -0.001494     -0.011525
     12.34185     -0.00158      9.88001        -0.003346      0.001932      0.000584
     -1.23333      2.13839      9.88530        -0.008456      0.007987     -0.000592
     -2.46944      4.27616      9.93385         0.001862     -0.000480     -0.001551
      8.63810      6.41079      9.94323         0.000471     -0.006569     -0.001854
     -4.93650      8.54972      9.91954         0.001153      0.000656     -0.001296
     -3.70298     10.68625      9.91954         0.000008     -0.001327     -0.001296
      1.23526      2.14019      9.92548        -0.003730     -0.008500     -0.000074
     -0.00400      4.27842     10.00862         0.004962      0.010480      0.005964
     -1.23907      6.41032     10.03594         0.001586     -0.000245      0.003026
     -2.46667      8.54811      9.96819        -0.008766      0.005061     -0.004849
      4.93669     -0.00023      9.94323         0.005924      0.002877     -0.001854
      3.70249      2.13353      9.96208         0.001965     -0.001154     -0.000414
      2.47212      4.25327     10.12998        -0.009007     -0.000978      0.002597
      1.21378      6.42321     10.35738        -0.006114      0.003530      0.006083
     -0.00149      8.55388     10.03594         0.001005     -0.001251      0.003026
      1.23156     10.68649      9.93385         0.001346     -0.001373     -0.001551
      6.17041      2.13574      9.94389         0.005133      0.004862     -0.000958
      4.93898      4.27246     10.02845        -0.003580      0.002067     -0.000532
      3.72217      6.41842     10.12998        -0.003656      0.008289      0.002597
      2.46233      8.55023     10.00862        -0.006595     -0.009537      0.005964
      3.70098     10.68487      9.88530        -0.011145      0.003330     -0.000592
      8.63880      2.13637      9.90244        -0.002138      0.001234     -0.001552
      7.40515      4.27438      9.94389        -0.001644     -0.006876     -0.000958
      6.17310      6.41276      9.96208         0.001983     -0.001125     -0.000414
      4.93372      8.54611      9.92548         0.005496      0.007480     -0.000074
     -0.00010      1.42639      9.88530         0.011145     -0.003330     -0.000592
     -1.23284      3.56515      9.92548        -0.005496     -0.007480     -0.000074
     -2.47222      5.69850      9.96208        -0.001983      0.001125     -0.000414
     -3.70427      7.83689      9.94389         0.001644      0.006876     -0.000958
     -4.93792      9.97489      9.90244         0.002138     -0.001234     -0.001552
      2.46932      1.42477      9.93385        -0.001346      0.001373     -0.001551
      1.23856      3.56103     10.00862         0.006595      0.009537      0.005964
     -0.02129      5.69284     10.12998         0.003656     -0.008289      0.002597
     -1.23810      7.83880     10.02845         0.003580     -0.002067     -0.000532
     -2.46953      9.97552      9.94389        -0.005133     -0.004862     -0.000958
      4.93691      1.42369      9.94323        -0.005924     -0.002877     -0.001854
      3.70237      3.55738     10.03594        -0.001005      0.001251      0.003026
      2.48710      5.68805     10.35738         0.006114     -0.003530      0.006083
      1.22876      7.85799     10.12998         0.009007      0.000978      0.002597
     -0.00160      9.97773      9.96208        -0.001965      0.001154     -0.000414
      7.40386      1.42502      9.91954        -0.000008      0.001327     -0.001296
      6.16755      3.56315      9.96819         0.008766     -0.005061     -0.004849
      4.93995      5.70094     10.03594        -0.001586      0.000245      0.003026
      3.70489      7.83284     10.00862        -0.004962     -0.010480      0.005964
      2.46562      9.97107      9.92548         0.003730      0.008500     -0.000074
      9.87402      1.42322      9.88001         0.003346     -0.001932      0.000584
      8.63738      3.56154      9.91954        -0.001153     -0.000656     -0.001296
      7.40506      5.69864      9.94323        -0.000471      0.006569     -0.001854
      6.17032      7.83510      9.93385        -0.001862      0.000480     -0.001551
      4.93421      9.97287      9.88530         0.008456     -0.007987     -0.000592
 -----------------------------------------------------------------------------------
    total drift:                               -0.001837      0.000337      0.021546


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




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


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.34
    ORTHCH:  VPU time  183.35: CPU time   92.00
     LOOP+:  VPU time 5012.08: CPU time 2582.66


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


    POTLOK:  VPU time    9.17: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1786.14: CPU time  924.41
 BZINTS: Fermi energy: -3.245509;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.07: CPU time   57.51
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1909.94: CPU time  991.50

 eigenvalue-minimisations  :  5888
 total energy-change (2. order) :-0.4696487E+03  (-0.1626621E-03)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9549704 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.75368E-03    rms(broyden)= 0.75277E-03
  rms(prec ) = 0.80377E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34274.75065137
  -1/2 Hartree   DENC   =    -41169.78487833
  -V(xc)+E(xc)   XCENC  =       726.33562559
  PAW double counting   =      4067.86541533    -4106.51808127
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.73731640
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64873010 eV

  energy without entropy =     -469.64873010  energy(sigma->0) =     -469.64873010


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




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


    POTLOK:  VPU time    9.10: CPU time    9.10
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1380.43: CPU time  711.80
 BZINTS: Fermi energy: -3.244325;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1389.94: CPU time  721.28

 eigenvalue-minimisations  :  3968
 total energy-change (2. order) :-0.7607014E-06  (-0.2584535E-05)
 number of electron  212.0000052 magnetization    0.0000000
 augmentation part     7.9549704 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34274.75065137
  -1/2 Hartree   DENC   =    -41169.77258490
  -V(xc)+E(xc)   XCENC  =       726.33498325
  PAW double counting   =      4067.84792041    -4106.50069067
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.74886392
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64873086 eV

  energy without entropy =     -469.64873086  energy(sigma->0) =     -469.64873086


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




 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 -59.0103       2 -37.4837       3 -37.4837       4 -58.3177       5 -58.2921
       6 -58.3047       7 -58.3026       8 -58.3114       9 -58.3114      10 -58.2854
      11 -58.3232      12 -58.2800      13 -58.3228      14 -58.3026      15 -58.3009
      16 -58.3971      17 -58.9693      18 -58.2800      19 -58.3047      20 -58.3070
      21 -58.2932      22 -58.3971      23 -58.3232      24 -58.2921      25 -58.3280
      26 -58.3070      27 -58.3010      28 -58.2855      29 -58.2920      30 -58.2853
      31 -58.3008      32 -58.3069      33 -58.3279      34 -58.3046      35 -58.3231
      36 -58.3970      37 -58.2931      38 -58.3069      39 -58.3025      40 -58.2799
      41 -58.9692      42 -58.3971      43 -58.3008      44 -58.3113      45 -58.3227
      46 -58.2799      47 -58.3231      48 -58.2853      49 -58.3176      50 -58.3113
      51 -58.3025      52 -58.3046      53 -58.2920
 
 
 
 E-fermi :  -3.2443     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     -22.3714      1.00000
      2     -21.5027      1.00000
      3     -21.4303      1.00000
      4     -21.4297      1.00000
      5     -21.4172      1.00000
      6     -21.4067      1.00000
      7     -21.4039      1.00000
      8     -19.6647      1.00000
      9     -19.5961      1.00000
     10     -19.5916      1.00000
     11     -19.5786      1.00000
     12     -19.5679      1.00000
     13     -19.5645      1.00000
     14     -18.7649      1.00000
     15     -18.7029      1.00000
     16     -18.6948      1.00000
     17     -18.6819      1.00000
     18     -18.6731      1.00000
     19     -18.6693      1.00000
     20     -16.6293      1.00000
     21     -16.5480      1.00000
     22     -16.5438      1.00000
     23     -16.5341      1.00000
     24     -16.5258      1.00000
     25     -16.5225      1.00000
     26     -15.6075      1.00000
     27     -15.5645      1.00000
     28     -15.5230      1.00000
     29     -15.5208      1.00000
     30     -15.5178      1.00000
     31     -15.5143      1.00000
     32     -14.2555      1.00000
     33     -14.2199      1.00000
     34     -14.1945      1.00000
     35     -14.1932      1.00000
     36     -14.1745      1.00000
     37     -14.1704      1.00000
     38     -11.9843      1.00000
     39     -11.8719      1.00000
     40     -11.8236      1.00000
     41     -11.8082      1.00000
     42     -11.8074      1.00000
     43     -11.8014      1.00000
     44     -11.7292      1.00000
     45     -11.7204      1.00000
     46     -11.7062      1.00000
     47     -11.6978      1.00000
     48     -11.6865      1.00000
     49     -11.6819      1.00000
     50     -10.6433      1.00000
     51     -10.3743      1.00000
     52     -10.3563      1.00000
     53     -10.3369      1.00000
     54     -10.3272      1.00000
     55     -10.3190      1.00000
     56     -10.2947      1.00000
     57      -9.7906      1.00000
     58      -9.4106      1.00000
     59      -9.3894      1.00000
     60      -9.3524      1.00000
     61      -9.3413      1.00000
     62      -9.3327      1.00000
     63      -9.1764      1.00000
     64      -9.0760      1.00000
     65      -9.0745      1.00000
     66      -9.0628      1.00000
     67      -9.0610      1.00000
     68      -9.0323      1.00000
     69      -9.0261      1.00000
     70      -9.0258      1.00000
     71      -9.0139      1.00000
     72      -9.0037      1.00000
     73      -8.9944      1.00000
     74      -8.9717      1.00000
     75      -7.9884      1.00000
     76      -7.7003      1.00000
     77      -7.5050      1.00000
     78      -7.4850      1.00000
     79      -7.4584      1.00000
     80      -7.4123      1.00000
     81      -7.3971      1.00000
     82      -7.3762      1.00000
     83      -7.3478      1.00000
     84      -7.2231      1.00000
     85      -7.1817      1.00000
     86      -7.1770      1.00000
     87      -7.1731      1.00000
     88      -6.6141      1.00000
     89      -6.5768      1.00000
     90      -6.3650      1.00000
     91      -6.3559      1.00000
     92      -6.3167      1.00000
     93      -6.2931      1.00000
     94      -5.9444      1.00000
     95      -5.8915      1.00000
     96      -5.3615      1.00000
     97      -5.1920      1.00000
     98      -4.8387      1.00000
     99      -4.7162      1.00000
    100      -4.3636      1.00000
    101      -4.3571      1.00000
    102      -4.3462      1.00000
    103      -4.3346      1.00000
    104      -4.1680      1.00000
    105      -3.9327      1.00000
    106      -3.5944      1.00000
    107      -2.9208      0.00000
    108      -1.5530      0.00000
    109      -1.5490      0.00000
    110      -1.5366      0.00000
    111      -1.5360      0.00000
    112      -1.4796      0.00000
    113      -1.4631      0.00000
    114       0.0772      0.00000
    115       0.2362      0.00000
    116       0.2812      0.00000
    117       0.3023      0.00000
    118       0.3073      0.00000
    119       0.3743      0.00000
    120       0.6172      0.00000
    121       1.2682      0.00000
    122       1.3753      0.00000
    123       1.7048      0.00000
    124       1.7575      0.00000
    125       1.7868      0.00000
    126       1.7921      0.00000
    127       1.8542      0.00000
    128       1.8743      0.00000
    129       2.0016      0.00000
    130       2.0048      0.00000
    131       2.0173      0.00000
    132       2.0229      0.00000
    133       2.0243      0.00000
    134       2.0893      0.00000
    135       2.3199      0.00000
    136       2.4661      0.00000
    137       2.5783      0.00000
    138       2.6085      0.00000
    139       2.6451      0.00000
    140       2.7398      0.00000
    141       2.8597      0.00000
    142       3.0399      0.00000
    143       3.0648      0.00000
    144       3.0805      0.00000
    145       3.0886      0.00000
    146       3.0940      0.00000
    147       3.0976      0.00000
    148       3.4546      0.00000
    149       3.5462      0.00000
    150       3.5937      0.00000
    151       3.9363      0.00000
    152       3.9464      0.00000
    153       3.9531      0.00000
    154       3.9672      0.00000
    155       3.9811      0.00000
    156       4.0558      0.00000
    157       4.1608      0.00000
    158       4.2110      0.00000
    159       4.2594      0.00000
    160       4.2729      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3339      1.00000
      2     -21.7713      1.00000
      3     -21.5966      1.00000
      4     -21.5667      1.00000
      5     -21.2214      1.00000
      6     -21.1939      1.00000
      7     -21.0199      1.00000
      8     -20.1187      1.00000
      9     -20.0869      1.00000
     10     -19.5717      1.00000
     11     -19.5443      1.00000
     12     -19.3776      1.00000
     13     -19.0495      1.00000
     14     -19.0189      1.00000
     15     -19.0042      1.00000
     16     -18.9940      1.00000
     17     -18.3277      1.00000
     18     -18.3034      1.00000
     19     -17.9808      1.00000
     20     -17.0344      1.00000
     21     -16.9837      1.00000
     22     -16.9171      1.00000
     23     -16.8981      1.00000
     24     -16.4367      1.00000
     25     -16.4147      1.00000
     26     -15.5896      1.00000
     27     -15.5568      1.00000
     28     -15.2349      1.00000
     29     -15.1949      1.00000
     30     -15.1315      1.00000
     31     -15.0573      1.00000
     32     -15.0285      1.00000
     33     -14.6690      1.00000
     34     -14.6499      1.00000
     35     -13.7058      1.00000
     36     -13.6797      1.00000
     37     -13.2012      1.00000
     38     -12.5977      1.00000
     39     -12.5405      1.00000
     40     -12.4191      1.00000
     41     -12.4026      1.00000
     42     -12.1099      1.00000
     43     -12.0680      1.00000
     44     -11.6959      1.00000
     45     -11.6470      1.00000
     46     -11.2338      1.00000
     47     -11.1893      1.00000
     48     -11.0074      1.00000
     49     -10.9706      1.00000
     50     -10.9092      1.00000
     51     -10.8655      1.00000
     52     -10.5294      1.00000
     53     -10.1277      1.00000
     54     -10.1216      1.00000
     55     -10.0802      1.00000
     56      -9.9181      1.00000
     57      -9.7068      1.00000
     58      -9.6694      1.00000
     59      -9.6115      1.00000
     60      -9.5822      1.00000
     61      -9.5432      1.00000
     62      -9.4790      1.00000
     63      -9.2949      1.00000
     64      -9.2762      1.00000
     65      -9.2286      1.00000
     66      -9.1750      1.00000
     67      -9.1098      1.00000
     68      -9.0751      1.00000
     69      -9.0645      1.00000
     70      -8.9047      1.00000
     71      -8.8457      1.00000
     72      -8.6024      1.00000
     73      -8.5658      1.00000
     74      -8.1226      1.00000
     75      -8.0442      1.00000
     76      -7.9500      1.00000
     77      -7.8299      1.00000
     78      -7.7916      1.00000
     79      -7.7281      1.00000
     80      -7.6928      1.00000
     81      -7.3480      1.00000
     82      -7.3338      1.00000
     83      -7.3267      1.00000
     84      -7.2691      1.00000
     85      -7.0653      1.00000
     86      -6.9815      1.00000
     87      -6.8251      1.00000
     88      -6.7502      1.00000
     89      -6.6419      1.00000
     90      -6.5639      1.00000
     91      -6.1379      1.00000
     92      -6.1039      1.00000
     93      -6.0931      1.00000
     94      -5.9657      1.00000
     95      -5.7340      1.00000
     96      -5.3974      1.00000
     97      -5.2068      1.00000
     98      -4.9388      1.00000
     99      -4.7990      1.00000
    100      -4.6378      1.00000
    101      -4.5376      1.00000
    102      -4.4857      1.00000
    103      -4.3645      1.00000
    104      -4.0446      1.00000
    105      -3.8142      1.00000
    106      -3.5715      1.00000
    107      -2.9429      0.00000
    108      -1.7185      0.00000
    109      -1.6754      0.00000
    110      -1.2930      0.00000
    111      -1.2720      0.00000
    112      -1.2446      0.00000
    113      -1.2131      0.00000
    114      -0.5597      0.00000
    115      -0.1912      0.00000
    116      -0.1697      0.00000
    117       0.6306      0.00000
    118       0.6793      0.00000
    119       0.7264      0.00000
    120       0.9859      0.00000
    121       1.1173      0.00000
    122       1.2409      0.00000
    123       1.3443      0.00000
    124       1.4509      0.00000
    125       1.4989      0.00000
    126       1.7453      0.00000
    127       1.7670      0.00000
    128       1.8008      0.00000
    129       1.8575      0.00000
    130       1.9518      0.00000
    131       2.1749      0.00000
    132       2.2156      0.00000
    133       2.2712      0.00000
    134       2.4311      0.00000
    135       2.5097      0.00000
    136       2.6208      0.00000
    137       2.6937      0.00000
    138       2.6988      0.00000
    139       2.7837      0.00000
    140       2.8104      0.00000
    141       2.8575      0.00000
    142       2.8610      0.00000
    143       3.0001      0.00000
    144       3.0725      0.00000
    145       3.2807      0.00000
    146       3.3654      0.00000
    147       3.3752      0.00000
    148       3.4473      0.00000
    149       3.5338      0.00000
    150       3.5989      0.00000
    151       3.6585      0.00000
    152       3.7308      0.00000
    153       3.7703      0.00000
    154       3.9377      0.00000
    155       3.9630      0.00000
    156       4.0494      0.00000
    157       4.0898      0.00000
    158       4.1713      0.00000
    159       4.2497      0.00000
    160       4.2753      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2222      1.00000
      2     -22.0308      1.00000
      3     -21.6710      1.00000
      4     -21.6416      1.00000
      5     -20.9274      1.00000
      6     -20.8970      1.00000
      7     -20.5671      1.00000
      8     -20.5324      1.00000
      9     -20.5238      1.00000
     10     -19.9909      1.00000
     11     -19.4660      1.00000
     12     -19.4364      1.00000
     13     -19.2741      1.00000
     14     -19.2536      1.00000
     15     -18.4052      1.00000
     16     -18.3678      1.00000
     17     -17.8951      1.00000
     18     -17.8646      1.00000
     19     -17.7166      1.00000
     20     -17.6825      1.00000
     21     -17.4076      1.00000
     22     -17.3828      1.00000
     23     -17.3045      1.00000
     24     -16.4322      1.00000
     25     -16.4120      1.00000
     26     -15.9171      1.00000
     27     -15.3888      1.00000
     28     -15.3589      1.00000
     29     -15.0725      1.00000
     30     -15.0452      1.00000
     31     -14.8373      1.00000
     32     -14.8030      1.00000
     33     -14.2530      1.00000
     34     -14.2151      1.00000
     35     -13.4112      1.00000
     36     -13.3613      1.00000
     37     -13.1599      1.00000
     38     -13.1302      1.00000
     39     -12.9359      1.00000
     40     -12.9260      1.00000
     41     -12.6023      1.00000
     42     -12.5700      1.00000
     43     -12.1690      1.00000
     44     -11.5631      1.00000
     45     -11.5028      1.00000
     46     -11.3005      1.00000
     47     -11.2495      1.00000
     48     -11.1205      1.00000
     49     -10.6810      1.00000
     50     -10.6327      1.00000
     51     -10.4473      1.00000
     52     -10.2868      1.00000
     53     -10.2747      1.00000
     54     -10.1599      1.00000
     55     -10.0841      1.00000
     56     -10.0700      1.00000
     57      -9.7884      1.00000
     58      -9.7383      1.00000
     59      -9.6944      1.00000
     60      -9.6734      1.00000
     61      -9.6595      1.00000
     62      -9.5976      1.00000
     63      -9.3376      1.00000
     64      -9.3204      1.00000
     65      -9.2867      1.00000
     66      -9.0292      1.00000
     67      -8.9321      1.00000
     68      -8.8418      1.00000
     69      -8.7610      1.00000
     70      -8.5916      1.00000
     71      -8.4952      1.00000
     72      -8.3697      1.00000
     73      -8.3632      1.00000
     74      -8.3032      1.00000
     75      -8.2438      1.00000
     76      -8.2423      1.00000
     77      -8.2230      1.00000
     78      -8.1957      1.00000
     79      -7.8744      1.00000
     80      -7.7446      1.00000
     81      -7.3705      1.00000
     82      -7.3146      1.00000
     83      -7.2986      1.00000
     84      -7.2068      1.00000
     85      -7.1797      1.00000
     86      -6.9492      1.00000
     87      -6.9308      1.00000
     88      -6.5927      1.00000
     89      -6.5387      1.00000
     90      -6.2648      1.00000
     91      -6.2012      1.00000
     92      -5.9816      1.00000
     93      -5.8150      1.00000
     94      -5.6687      1.00000
     95      -5.5138      1.00000
     96      -5.3304      1.00000
     97      -5.3051      1.00000
     98      -5.1922      1.00000
     99      -5.1897      1.00000
    100      -5.1070      1.00000
    101      -4.6900      1.00000
    102      -4.5501      1.00000
    103      -4.4517      1.00000
    104      -3.9146      1.00000
    105      -3.7074      1.00000
    106      -3.5369      1.00000
    107      -2.9652      0.00000
    108      -1.8170      0.00000
    109      -1.7617      0.00000
    110      -1.0854      0.00000
    111      -0.9714      0.00000
    112      -0.9413      0.00000
    113      -0.6473      0.00000
    114      -0.6050      0.00000
    115      -0.5684      0.00000
    116      -0.5313      0.00000
    117       0.1757      0.00000
    118       0.2574      0.00000
    119       0.7925      0.00000
    120       1.0085      0.00000
    121       1.1160      0.00000
    122       1.1685      0.00000
    123       1.3581      0.00000
    124       1.4831      0.00000
    125       1.5922      0.00000
    126       1.5965      0.00000
    127       1.6928      0.00000
    128       1.9137      0.00000
    129       1.9555      0.00000
    130       2.0348      0.00000
    131       2.1957      0.00000
    132       2.3454      0.00000
    133       2.3907      0.00000
    134       2.4158      0.00000
    135       2.6034      0.00000
    136       2.6895      0.00000
    137       2.7474      0.00000
    138       2.7829      0.00000
    139       2.8488      0.00000
    140       3.0095      0.00000
    141       3.0567      0.00000
    142       3.0931      0.00000
    143       3.1433      0.00000
    144       3.2668      0.00000
    145       3.3323      0.00000
    146       3.4004      0.00000
    147       3.4664      0.00000
    148       3.5452      0.00000
    149       3.5847      0.00000
    150       3.6064      0.00000
    151       3.6860      0.00000
    152       3.7123      0.00000
    153       3.7755      0.00000
    154       3.7933      0.00000
    155       3.8012      0.00000
    156       3.9466      0.00000
    157       3.9558      0.00000
    158       4.0433      0.00000
    159       4.1992      0.00000
    160       4.2634      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2592      1.00000
      2     -21.8876      1.00000
      3     -21.8753      1.00000
      4     -21.3265      1.00000
      5     -21.3143      1.00000
      6     -20.7704      1.00000
      7     -20.7559      1.00000
      8     -20.5782      1.00000
      9     -20.0296      1.00000
     10     -20.0273      1.00000
     11     -19.6715      1.00000
     12     -19.6567      1.00000
     13     -18.9482      1.00000
     14     -18.9480      1.00000
     15     -18.5927      1.00000
     16     -18.5926      1.00000
     17     -18.4178      1.00000
     18     -17.6425      1.00000
     19     -17.5869      1.00000
     20     -17.5648      1.00000
     21     -17.5601      1.00000
     22     -17.0735      1.00000
     23     -17.0722      1.00000
     24     -16.9200      1.00000
     25     -15.9535      1.00000
     26     -15.9040      1.00000
     27     -15.5475      1.00000
     28     -15.5309      1.00000
     29     -15.2680      1.00000
     30     -14.8170      1.00000
     31     -14.7942      1.00000
     32     -14.5405      1.00000
     33     -14.5101      1.00000
     34     -14.1313      1.00000
     35     -14.1274      1.00000
     36     -13.1046      1.00000
     37     -13.0409      1.00000
     38     -13.0181      1.00000
     39     -12.9864      1.00000
     40     -12.6758      1.00000
     41     -12.6736      1.00000
     42     -12.2877      1.00000
     43     -12.2813      1.00000
     44     -11.6528      1.00000
     45     -11.5994      1.00000
     46     -11.5394      1.00000
     47     -10.9401      1.00000
     48     -10.8911      1.00000
     49     -10.6372      1.00000
     50     -10.5962      1.00000
     51     -10.4748      1.00000
     52     -10.4640      1.00000
     53     -10.4057      1.00000
     54     -10.4028      1.00000
     55     -10.3143      1.00000
     56     -10.0392      1.00000
     57      -9.8756      1.00000
     58      -9.5844      1.00000
     59      -9.5212      1.00000
     60      -9.5024      1.00000
     61      -9.3782      1.00000
     62      -9.3707      1.00000
     63      -9.3401      1.00000
     64      -9.2942      1.00000
     65      -9.2413      1.00000
     66      -9.1703      1.00000
     67      -9.1264      1.00000
     68      -9.0827      1.00000
     69      -8.8447      1.00000
     70      -8.8242      1.00000
     71      -8.6812      1.00000
     72      -8.5742      1.00000
     73      -8.4189      1.00000
     74      -8.1993      1.00000
     75      -8.1520      1.00000
     76      -7.9741      1.00000
     77      -7.8825      1.00000
     78      -7.8193      1.00000
     79      -7.7928      1.00000
     80      -7.7662      1.00000
     81      -7.6755      1.00000
     82      -7.6208      1.00000
     83      -7.4096      1.00000
     84      -7.3502      1.00000
     85      -6.8995      1.00000
     86      -6.8907      1.00000
     87      -6.7310      1.00000
     88      -6.6467      1.00000
     89      -6.4084      1.00000
     90      -6.3303      1.00000
     91      -6.2889      1.00000
     92      -6.1837      1.00000
     93      -5.9722      1.00000
     94      -5.5805      1.00000
     95      -5.4783      1.00000
     96      -5.4112      1.00000
     97      -5.3705      1.00000
     98      -5.1937      1.00000
     99      -5.1059      1.00000
    100      -4.7528      1.00000
    101      -4.7036      1.00000
    102      -4.5700      1.00000
    103      -4.4199      1.00000
    104      -4.2012      1.00000
    105      -3.5551      1.00000
    106      -3.3949      1.00000
    107      -3.0482      0.00000
    108      -2.1022      0.00000
    109      -1.2450      0.00000
    110      -1.2039      0.00000
    111      -1.1753      0.00000
    112      -0.9320      0.00000
    113      -0.8331      0.00000
    114      -0.7839      0.00000
    115      -0.7016      0.00000
    116       0.1967      0.00000
    117       0.2019      0.00000
    118       0.3064      0.00000
    119       0.7710      0.00000
    120       0.8231      0.00000
    121       0.9128      0.00000
    122       1.1223      0.00000
    123       1.3305      0.00000
    124       1.5089      0.00000
    125       1.5887      0.00000
    126       1.8089      0.00000
    127       1.8360      0.00000
    128       1.8796      0.00000
    129       1.9701      0.00000
    130       1.9936      0.00000
    131       2.2559      0.00000
    132       2.4058      0.00000
    133       2.4275      0.00000
    134       2.4373      0.00000
    135       2.5582      0.00000
    136       2.5913      0.00000
    137       2.6319      0.00000
    138       2.7210      0.00000
    139       2.7359      0.00000
    140       2.9657      0.00000
    141       3.0626      0.00000
    142       3.1333      0.00000
    143       3.1989      0.00000
    144       3.2462      0.00000
    145       3.2465      0.00000
    146       3.3132      0.00000
    147       3.3504      0.00000
    148       3.5238      0.00000
    149       3.5259      0.00000
    150       3.6283      0.00000
    151       3.6982      0.00000
    152       3.7472      0.00000
    153       3.8109      0.00000
    154       3.9306      0.00000
    155       3.9900      0.00000
    156       3.9980      0.00000
    157       4.0020      0.00000
    158       4.0258      0.00000
    159       4.0333      0.00000
    160       4.1444      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1274      1.00000
      2     -22.0887      1.00000
      3     -21.9176      1.00000
      4     -21.3583      1.00000
      5     -21.0036      1.00000
      6     -20.9675      1.00000
      7     -20.4520      1.00000
      8     -20.4139      1.00000
      9     -20.2608      1.00000
     10     -20.2306      1.00000
     11     -19.9000      1.00000
     12     -19.8623      1.00000
     13     -18.8273      1.00000
     14     -18.7838      1.00000
     15     -18.3113      1.00000
     16     -18.2606      1.00000
     17     -18.1207      1.00000
     18     -18.0914      1.00000
     19     -17.7849      1.00000
     20     -17.7457      1.00000
     21     -17.2251      1.00000
     22     -17.1938      1.00000
     23     -17.1319      1.00000
     24     -17.0932      1.00000
     25     -16.0574      1.00000
     26     -15.8592      1.00000
     27     -15.8215      1.00000
     28     -15.7885      1.00000
     29     -15.2086      1.00000
     30     -14.5301      1.00000
     31     -14.4841      1.00000
     32     -14.2529      1.00000
     33     -13.9291      1.00000
     34     -13.9174      1.00000
     35     -13.7914      1.00000
     36     -13.7623      1.00000
     37     -13.5820      1.00000
     38     -13.5335      1.00000
     39     -13.3225      1.00000
     40     -12.5841      1.00000
     41     -12.1752      1.00000
     42     -12.1005      1.00000
     43     -12.0346      1.00000
     44     -11.9897      1.00000
     45     -11.6557      1.00000
     46     -11.6207      1.00000
     47     -11.1379      1.00000
     48     -11.0829      1.00000
     49     -10.7806      1.00000
     50     -10.7044      1.00000
     51     -10.4038      1.00000
     52     -10.1922      1.00000
     53     -10.1673      1.00000
     54     -10.1260      1.00000
     55      -9.9935      1.00000
     56      -9.9820      1.00000
     57      -9.9401      1.00000
     58      -9.7942      1.00000
     59      -9.7697      1.00000
     60      -9.7416      1.00000
     61      -9.7205      1.00000
     62      -9.4374      1.00000
     63      -9.3352      1.00000
     64      -9.0891      1.00000
     65      -9.0435      1.00000
     66      -9.0027      1.00000
     67      -8.8911      1.00000
     68      -8.8251      1.00000
     69      -8.7080      1.00000
     70      -8.6649      1.00000
     71      -8.5668      1.00000
     72      -8.5074      1.00000
     73      -8.4718      1.00000
     74      -8.4370      1.00000
     75      -8.3319      1.00000
     76      -8.1979      1.00000
     77      -8.0663      1.00000
     78      -7.9801      1.00000
     79      -7.9076      1.00000
     80      -7.8801      1.00000
     81      -7.6950      1.00000
     82      -7.5615      1.00000
     83      -7.4932      1.00000
     84      -6.9786      1.00000
     85      -6.9090      1.00000
     86      -6.8590      1.00000
     87      -6.7409      1.00000
     88      -6.5200      1.00000
     89      -6.4681      1.00000
     90      -6.3788      1.00000
     91      -6.1926      1.00000
     92      -5.9291      1.00000
     93      -5.7958      1.00000
     94      -5.7498      1.00000
     95      -5.5568      1.00000
     96      -5.3757      1.00000
     97      -5.2434      1.00000
     98      -5.1955      1.00000
     99      -5.1815      1.00000
    100      -5.1216      1.00000
    101      -4.8094      1.00000
    102      -4.5398      1.00000
    103      -4.4580      1.00000
    104      -4.2453      1.00000
    105      -3.5561      1.00000
    106      -3.2895      1.00000
    107      -2.9380      0.00000
    108      -2.3430      0.00000
    109      -1.1825      0.00000
    110      -1.1638      0.00000
    111      -1.1143      0.00000
    112      -1.0588      0.00000
    113      -0.5032      0.00000
    114      -0.4562      0.00000
    115      -0.2970      0.00000
    116      -0.2723      0.00000
    117       0.0007      0.00000
    118       0.0356      0.00000
    119       0.5323      0.00000
    120       0.6429      0.00000
    121       0.8869      0.00000
    122       0.9836      0.00000
    123       1.1915      0.00000
    124       1.5383      0.00000
    125       1.7695      0.00000
    126       1.7891      0.00000
    127       2.0084      0.00000
    128       2.1295      0.00000
    129       2.1386      0.00000
    130       2.1518      0.00000
    131       2.2657      0.00000
    132       2.3120      0.00000
    133       2.3654      0.00000
    134       2.4647      0.00000
    135       2.6703      0.00000
    136       2.7567      0.00000
    137       2.7998      0.00000
    138       2.8806      0.00000
    139       2.9706      0.00000
    140       3.0117      0.00000
    141       3.0650      0.00000
    142       3.1195      0.00000
    143       3.1701      0.00000
    144       3.2442      0.00000
    145       3.2707      0.00000
    146       3.3022      0.00000
    147       3.3313      0.00000
    148       3.3523      0.00000
    149       3.4136      0.00000
    150       3.5426      0.00000
    151       3.6305      0.00000
    152       3.6795      0.00000
    153       3.7058      0.00000
    154       3.7156      0.00000
    155       3.7373      0.00000
    156       3.7960      0.00000
    157       3.9684      0.00000
    158       4.0678      0.00000
    159       4.1472      0.00000
    160       4.2746      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2588      1.00000
      2     -21.9005      1.00000
      3     -21.8625      1.00000
      4     -21.3380      1.00000
      5     -21.3022      1.00000
      6     -20.7823      1.00000
      7     -20.7442      1.00000
      8     -20.5780      1.00000
      9     -20.0472      1.00000
     10     -20.0115      1.00000
     11     -19.6806      1.00000
     12     -19.6456      1.00000
     13     -18.9681      1.00000
     14     -18.9304      1.00000
     15     -18.6122      1.00000
     16     -18.5748      1.00000
     17     -18.4173      1.00000
     18     -17.6322      1.00000
     19     -17.5871      1.00000
     20     -17.5661      1.00000
     21     -17.5490      1.00000
     22     -17.0978      1.00000
     23     -17.0553      1.00000
     24     -16.9378      1.00000
     25     -15.9811      1.00000
     26     -15.8697      1.00000
     27     -15.5670      1.00000
     28     -15.5279      1.00000
     29     -15.2315      1.00000
     30     -14.8492      1.00000
     31     -14.7912      1.00000
     32     -14.5378      1.00000
     33     -14.5002      1.00000
     34     -14.1284      1.00000
     35     -14.1162      1.00000
     36     -13.1560      1.00000
     37     -13.0493      1.00000
     38     -12.9960      1.00000
     39     -12.9761      1.00000
     40     -12.6994      1.00000
     41     -12.6541      1.00000
     42     -12.2974      1.00000
     43     -12.2783      1.00000
     44     -11.6191      1.00000
     45     -11.5861      1.00000
     46     -11.5258      1.00000
     47     -10.9224      1.00000
     48     -10.8963      1.00000
     49     -10.7119      1.00000
     50     -10.5661      1.00000
     51     -10.5341      1.00000
     52     -10.4659      1.00000
     53     -10.4253      1.00000
     54     -10.3662      1.00000
     55     -10.3150      1.00000
     56     -10.0339      1.00000
     57      -9.8699      1.00000
     58      -9.6015      1.00000
     59      -9.5223      1.00000
     60      -9.4539      1.00000
     61      -9.4033      1.00000
     62      -9.3723      1.00000
     63      -9.3416      1.00000
     64      -9.2972      1.00000
     65      -9.2452      1.00000
     66      -9.1342      1.00000
     67      -9.0880      1.00000
     68      -9.0714      1.00000
     69      -8.8507      1.00000
     70      -8.8325      1.00000
     71      -8.7028      1.00000
     72      -8.5597      1.00000
     73      -8.4373      1.00000
     74      -8.1978      1.00000
     75      -8.1696      1.00000
     76      -8.0390      1.00000
     77      -7.8666      1.00000
     78      -7.8035      1.00000
     79      -7.7703      1.00000
     80      -7.7174      1.00000
     81      -7.6792      1.00000
     82      -7.6412      1.00000
     83      -7.4467      1.00000
     84      -7.3077      1.00000
     85      -6.9185      1.00000
     86      -6.8880      1.00000
     87      -6.7761      1.00000
     88      -6.5571      1.00000
     89      -6.3885      1.00000
     90      -6.3223      1.00000
     91      -6.2776      1.00000
     92      -6.1696      1.00000
     93      -6.0674      1.00000
     94      -5.7831      1.00000
     95      -5.5314      1.00000
     96      -5.3562      1.00000
     97      -5.2038      1.00000
     98      -5.1770      1.00000
     99      -5.0297      1.00000
    100      -4.8136      1.00000
    101      -4.6690      1.00000
    102      -4.4934      1.00000
    103      -4.4315      1.00000
    104      -4.2366      1.00000
    105      -3.6318      1.00000
    106      -3.5474      1.00000
    107      -2.8438      0.00000
    108      -2.1351      0.00000
    109      -1.2454      0.00000
    110      -1.1888      0.00000
    111      -1.1779      0.00000
    112      -0.8854      0.00000
    113      -0.8670      0.00000
    114      -0.7858      0.00000
    115      -0.7528      0.00000
    116       0.1436      0.00000
    117       0.2447      0.00000
    118       0.3169      0.00000
    119       0.7234      0.00000
    120       0.8584      0.00000
    121       0.9369      0.00000
    122       1.1682      0.00000
    123       1.2645      0.00000
    124       1.5220      0.00000
    125       1.5868      0.00000
    126       1.7991      0.00000
    127       1.8853      0.00000
    128       1.8942      0.00000
    129       1.9727      0.00000
    130       2.0545      0.00000
    131       2.2268      0.00000
    132       2.3430      0.00000
    133       2.4365      0.00000
    134       2.4499      0.00000
    135       2.5787      0.00000
    136       2.6080      0.00000
    137       2.6653      0.00000
    138       2.7210      0.00000
    139       2.7631      0.00000
    140       2.9024      0.00000
    141       3.0507      0.00000
    142       3.1482      0.00000
    143       3.2055      0.00000
    144       3.2321      0.00000
    145       3.2473      0.00000
    146       3.2868      0.00000
    147       3.3487      0.00000
    148       3.4473      0.00000
    149       3.5541      0.00000
    150       3.6120      0.00000
    151       3.6960      0.00000
    152       3.7259      0.00000
    153       3.8632      0.00000
    154       3.9058      0.00000
    155       3.9397      0.00000
    156       3.9671      0.00000
    157       4.0211      0.00000
    158       4.0261      0.00000
    159       4.0399      0.00000
    160       4.0861      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3337      1.00000
      2     -21.7733      1.00000
      3     -21.5924      1.00000
      4     -21.5681      1.00000
      5     -21.2232      1.00000
      6     -21.1941      1.00000
      7     -21.0185      1.00000
      8     -20.1188      1.00000
      9     -20.0873      1.00000
     10     -19.5764      1.00000
     11     -19.5420      1.00000
     12     -19.3725      1.00000
     13     -19.0607      1.00000
     14     -19.0203      1.00000
     15     -19.0032      1.00000
     16     -18.9853      1.00000
     17     -18.3331      1.00000
     18     -18.3020      1.00000
     19     -17.9735      1.00000
     20     -17.0232      1.00000
     21     -16.9822      1.00000
     22     -16.9251      1.00000
     23     -16.8992      1.00000
     24     -16.4543      1.00000
     25     -16.4193      1.00000
     26     -15.5757      1.00000
     27     -15.5472      1.00000
     28     -15.2039      1.00000
     29     -15.1814      1.00000
     30     -15.1625      1.00000
     31     -15.0831      1.00000
     32     -15.0290      1.00000
     33     -14.6698      1.00000
     34     -14.6432      1.00000
     35     -13.7034      1.00000
     36     -13.6713      1.00000
     37     -13.2072      1.00000
     38     -12.6394      1.00000
     39     -12.5385      1.00000
     40     -12.4261      1.00000
     41     -12.4036      1.00000
     42     -12.0734      1.00000
     43     -12.0523      1.00000
     44     -11.6769      1.00000
     45     -11.6449      1.00000
     46     -11.2872      1.00000
     47     -11.1846      1.00000
     48     -10.9958      1.00000
     49     -10.9641      1.00000
     50     -10.8882      1.00000
     51     -10.8558      1.00000
     52     -10.5617      1.00000
     53     -10.2061      1.00000
     54     -10.1163      1.00000
     55     -10.0594      1.00000
     56      -9.8895      1.00000
     57      -9.6625      1.00000
     58      -9.6621      1.00000
     59      -9.6262      1.00000
     60      -9.6000      1.00000
     61      -9.5327      1.00000
     62      -9.4734      1.00000
     63      -9.3129      1.00000
     64      -9.2647      1.00000
     65      -9.2209      1.00000
     66      -9.1931      1.00000
     67      -9.0952      1.00000
     68      -9.0905      1.00000
     69      -9.0686      1.00000
     70      -8.9026      1.00000
     71      -8.8379      1.00000
     72      -8.5730      1.00000
     73      -8.5589      1.00000
     74      -8.1713      1.00000
     75      -8.0108      1.00000
     76      -7.9481      1.00000
     77      -7.8827      1.00000
     78      -7.7764      1.00000
     79      -7.7279      1.00000
     80      -7.7132      1.00000
     81      -7.4023      1.00000
     82      -7.2820      1.00000
     83      -7.2448      1.00000
     84      -7.2176      1.00000
     85      -7.1530      1.00000
     86      -6.9676      1.00000
     87      -6.8568      1.00000
     88      -6.6935      1.00000
     89      -6.6616      1.00000
     90      -6.5851      1.00000
     91      -6.1596      1.00000
     92      -6.0870      1.00000
     93      -6.0719      1.00000
     94      -5.9088      1.00000
     95      -5.8820      1.00000
     96      -5.3764      1.00000
     97      -5.1900      1.00000
     98      -4.8722      1.00000
     99      -4.8562      1.00000
    100      -4.6464      1.00000
    101      -4.5241      1.00000
    102      -4.3906      1.00000
    103      -4.2657      1.00000
    104      -4.0639      1.00000
    105      -4.0390      1.00000
    106      -3.5658      1.00000
    107      -2.8652      0.00000
    108      -1.7039      0.00000
    109      -1.6983      0.00000
    110      -1.3069      0.00000
    111      -1.2606      0.00000
    112      -1.2301      0.00000
    113      -1.2290      0.00000
    114      -0.5668      0.00000
    115      -0.2540      0.00000
    116      -0.1141      0.00000
    117       0.5857      0.00000
    118       0.6765      0.00000
    119       0.8088      0.00000
    120       0.9577      0.00000
    121       1.1405      0.00000
    122       1.2052      0.00000
    123       1.2840      0.00000
    124       1.4600      0.00000
    125       1.6224      0.00000
    126       1.6907      0.00000
    127       1.7794      0.00000
    128       1.7852      0.00000
    129       1.9126      0.00000
    130       1.9403      0.00000
    131       2.1857      0.00000
    132       2.1983      0.00000
    133       2.2406      0.00000
    134       2.4741      0.00000
    135       2.5119      0.00000
    136       2.6051      0.00000
    137       2.6424      0.00000
    138       2.7099      0.00000
    139       2.8310      0.00000
    140       2.8366      0.00000
    141       2.8614      0.00000
    142       2.9623      0.00000
    143       2.9837      0.00000
    144       3.0290      0.00000
    145       3.1508      0.00000
    146       3.3580      0.00000
    147       3.3835      0.00000
    148       3.4293      0.00000
    149       3.5940      0.00000
    150       3.6239      0.00000
    151       3.6390      0.00000
    152       3.6826      0.00000
    153       3.7961      0.00000
    154       3.8128      0.00000
    155       4.0155      0.00000
    156       4.0373      0.00000
    157       4.0603      0.00000
    158       4.1373      0.00000
    159       4.2441      0.00000
    160       4.3589      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1172      1.00000
      2     -22.1010      1.00000
      3     -21.9156      1.00000
      4     -21.3583      1.00000
      5     -20.9916      1.00000
      6     -20.9797      1.00000
      7     -20.4402      1.00000
      8     -20.4262      1.00000
      9     -20.2467      1.00000
     10     -20.2452      1.00000
     11     -19.8877      1.00000
     12     -19.8739      1.00000
     13     -18.8216      1.00000
     14     -18.7951      1.00000
     15     -18.2832      1.00000
     16     -18.2773      1.00000
     17     -18.1123      1.00000
     18     -18.1053      1.00000
     19     -17.7651      1.00000
     20     -17.7610      1.00000
     21     -17.2293      1.00000
     22     -17.2011      1.00000
     23     -17.1148      1.00000
     24     -17.0986      1.00000
     25     -16.0913      1.00000
     26     -15.8316      1.00000
     27     -15.8209      1.00000
     28     -15.8050      1.00000
     29     -15.1829      1.00000
     30     -14.5111      1.00000
     31     -14.4977      1.00000
     32     -14.2280      1.00000
     33     -13.9634      1.00000
     34     -13.9255      1.00000
     35     -13.7891      1.00000
     36     -13.7769      1.00000
     37     -13.5586      1.00000
     38     -13.5396      1.00000
     39     -13.3292      1.00000
     40     -12.6100      1.00000
     41     -12.1291      1.00000
     42     -12.1183      1.00000
     43     -12.0063      1.00000
     44     -11.9895      1.00000
     45     -11.6517      1.00000
     46     -11.6365      1.00000
     47     -11.1389      1.00000
     48     -11.1013      1.00000
     49     -10.7591      1.00000
     50     -10.7014      1.00000
     51     -10.4412      1.00000
     52     -10.1726      1.00000
     53     -10.1652      1.00000
     54     -10.1486      1.00000
     55     -10.0024      1.00000
     56      -9.9631      1.00000
     57      -9.9364      1.00000
     58      -9.8137      1.00000
     59      -9.7647      1.00000
     60      -9.7425      1.00000
     61      -9.7284      1.00000
     62      -9.4312      1.00000
     63      -9.3319      1.00000
     64      -9.0773      1.00000
     65      -9.0398      1.00000
     66      -8.9680      1.00000
     67      -8.9404      1.00000
     68      -8.8006      1.00000
     69      -8.6829      1.00000
     70      -8.6666      1.00000
     71      -8.5464      1.00000
     72      -8.5141      1.00000
     73      -8.4437      1.00000
     74      -8.4369      1.00000
     75      -8.2996      1.00000
     76      -8.2307      1.00000
     77      -8.1098      1.00000
     78      -8.0482      1.00000
     79      -8.0239      1.00000
     80      -7.7886      1.00000
     81      -7.6006      1.00000
     82      -7.5922      1.00000
     83      -7.4603      1.00000
     84      -7.0023      1.00000
     85      -6.9479      1.00000
     86      -6.8622      1.00000
     87      -6.5741      1.00000
     88      -6.5404      1.00000
     89      -6.4591      1.00000
     90      -6.4064      1.00000
     91      -6.3300      1.00000
     92      -5.9847      1.00000
     93      -5.7689      1.00000
     94      -5.7270      1.00000
     95      -5.5591      1.00000
     96      -5.3790      1.00000
     97      -5.2041      1.00000
     98      -5.1989      1.00000
     99      -5.1774      1.00000
    100      -5.1557      1.00000
    101      -4.6485      1.00000
    102      -4.5018      1.00000
    103      -4.4425      1.00000
    104      -4.3847      1.00000
    105      -3.5730      1.00000
    106      -3.4307      1.00000
    107      -2.7324      0.00000
    108      -2.4078      0.00000
    109      -1.1651      0.00000
    110      -1.1568      0.00000
    111      -1.1469      0.00000
    112      -1.0516      0.00000
    113      -0.4882      0.00000
    114      -0.4783      0.00000
    115      -0.3228      0.00000
    116      -0.2466      0.00000
    117       0.0056      0.00000
    118       0.0086      0.00000
    119       0.5229      0.00000
    120       0.6643      0.00000
    121       0.8242      0.00000
    122       1.0085      0.00000
    123       1.2473      0.00000
    124       1.5092      0.00000
    125       1.7690      0.00000
    126       1.9621      0.00000
    127       1.9661      0.00000
    128       2.0324      0.00000
    129       2.1176      0.00000
    130       2.1824      0.00000
    131       2.2895      0.00000
    132       2.2954      0.00000
    133       2.3690      0.00000
    134       2.5635      0.00000
    135       2.6391      0.00000
    136       2.6890      0.00000
    137       2.8544      0.00000
    138       2.8937      0.00000
    139       2.9687      0.00000
    140       3.0024      0.00000
    141       3.1376      0.00000
    142       3.1480      0.00000
    143       3.1522      0.00000
    144       3.1874      0.00000
    145       3.2496      0.00000
    146       3.2545      0.00000
    147       3.3407      0.00000
    148       3.3567      0.00000
    149       3.4277      0.00000
    150       3.4362      0.00000
    151       3.5215      0.00000
    152       3.6463      0.00000
    153       3.6938      0.00000
    154       3.7185      0.00000
    155       3.8453      0.00000
    156       3.9171      0.00000
    157       3.9745      0.00000
    158       4.0046      0.00000
    159       4.1265      0.00000
    160       4.2169      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2211      1.00000
      2     -22.0332      1.00000
      3     -21.6681      1.00000
      4     -21.6428      1.00000
      5     -20.9274      1.00000
      6     -20.8974      1.00000
      7     -20.5578      1.00000
      8     -20.5380      1.00000
      9     -20.5274      1.00000
     10     -19.9910      1.00000
     11     -19.4665      1.00000
     12     -19.4335      1.00000
     13     -19.2806      1.00000
     14     -19.2532      1.00000
     15     -18.3991      1.00000
     16     -18.3676      1.00000
     17     -17.8971      1.00000
     18     -17.8647      1.00000
     19     -17.7145      1.00000
     20     -17.6806      1.00000
     21     -17.4122      1.00000
     22     -17.3813      1.00000
     23     -17.2943      1.00000
     24     -16.4536      1.00000
     25     -16.4144      1.00000
     26     -15.9357      1.00000
     27     -15.3787      1.00000
     28     -15.3509      1.00000
     29     -15.0672      1.00000
     30     -15.0377      1.00000
     31     -14.8100      1.00000
     32     -14.7882      1.00000
     33     -14.2857      1.00000
     34     -14.2142      1.00000
     35     -13.4428      1.00000
     36     -13.3600      1.00000
     37     -13.1521      1.00000
     38     -13.1206      1.00000
     39     -12.9604      1.00000
     40     -12.9300      1.00000
     41     -12.5860      1.00000
     42     -12.5590      1.00000
     43     -12.1734      1.00000
     44     -11.5344      1.00000
     45     -11.4984      1.00000
     46     -11.2732      1.00000
     47     -11.2445      1.00000
     48     -11.1305      1.00000
     49     -10.7661      1.00000
     50     -10.6255      1.00000
     51     -10.4491      1.00000
     52     -10.2812      1.00000
     53     -10.2744      1.00000
     54     -10.1655      1.00000
     55     -10.0884      1.00000
     56     -10.0561      1.00000
     57      -9.8046      1.00000
     58      -9.7039      1.00000
     59      -9.6905      1.00000
     60      -9.6829      1.00000
     61      -9.6697      1.00000
     62      -9.6037      1.00000
     63      -9.3436      1.00000
     64      -9.3162      1.00000
     65      -9.2865      1.00000
     66      -8.9684      1.00000
     67      -8.9287      1.00000
     68      -8.8787      1.00000
     69      -8.7468      1.00000
     70      -8.5596      1.00000
     71      -8.4825      1.00000
     72      -8.3995      1.00000
     73      -8.3594      1.00000
     74      -8.2858      1.00000
     75      -8.2394      1.00000
     76      -8.2239      1.00000
     77      -8.2099      1.00000
     78      -8.1928      1.00000
     79      -7.9954      1.00000
     80      -7.7790      1.00000
     81      -7.4136      1.00000
     82      -7.3172      1.00000
     83      -7.2392      1.00000
     84      -7.1398      1.00000
     85      -7.0945      1.00000
     86      -6.9556      1.00000
     87      -6.9081      1.00000
     88      -6.5843      1.00000
     89      -6.5573      1.00000
     90      -6.4342      1.00000
     91      -6.2471      1.00000
     92      -5.9031      1.00000
     93      -5.8224      1.00000
     94      -5.6743      1.00000
     95      -5.5832      1.00000
     96      -5.2943      1.00000
     97      -5.2597      1.00000
     98      -5.1833      1.00000
     99      -5.1833      1.00000
    100      -5.1599      1.00000
    101      -4.5226      1.00000
    102      -4.4557      1.00000
    103      -4.3977      1.00000
    104      -4.0754      1.00000
    105      -3.9276      1.00000
    106      -3.5188      1.00000
    107      -2.8146      0.00000
    108      -1.8045      0.00000
    109      -1.7929      0.00000
    110      -1.0776      0.00000
    111      -1.0099      0.00000
    112      -0.9262      0.00000
    113      -0.6544      0.00000
    114      -0.6056      0.00000
    115      -0.5694      0.00000
    116      -0.5276      0.00000
    117       0.1597      0.00000
    118       0.2634      0.00000
    119       0.7141      0.00000
    120       0.9765      0.00000
    121       1.0969      0.00000
    122       1.2566      0.00000
    123       1.4298      0.00000
    124       1.5363      0.00000
    125       1.6048      0.00000
    126       1.6368      0.00000
    127       1.6494      0.00000
    128       1.8496      0.00000
    129       1.9408      0.00000
    130       2.1201      0.00000
    131       2.2176      0.00000
    132       2.3495      0.00000
    133       2.3743      0.00000
    134       2.4736      0.00000
    135       2.6066      0.00000
    136       2.6658      0.00000
    137       2.7489      0.00000
    138       2.7523      0.00000
    139       2.8632      0.00000
    140       2.9695      0.00000
    141       3.0623      0.00000
    142       3.0773      0.00000
    143       3.1962      0.00000
    144       3.2944      0.00000
    145       3.3395      0.00000
    146       3.3524      0.00000
    147       3.4882      0.00000
    148       3.5351      0.00000
    149       3.5664      0.00000
    150       3.6041      0.00000
    151       3.6243      0.00000
    152       3.6987      0.00000
    153       3.7419      0.00000
    154       3.7836      0.00000
    155       3.7908      0.00000
    156       3.8604      0.00000
    157       3.9356      0.00000
    158       4.0242      0.00000
    159       4.0451      0.00000
    160       4.2924      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3714      1.00000
      2     -21.5027      1.00000
      3     -21.4303      1.00000
      4     -21.4297      1.00000
      5     -21.4172      1.00000
      6     -21.4067      1.00000
      7     -21.4039      1.00000
      8     -19.6647      1.00000
      9     -19.5961      1.00000
     10     -19.5916      1.00000
     11     -19.5786      1.00000
     12     -19.5679      1.00000
     13     -19.5645      1.00000
     14     -18.7649      1.00000
     15     -18.7029      1.00000
     16     -18.6948      1.00000
     17     -18.6819      1.00000
     18     -18.6731      1.00000
     19     -18.6693      1.00000
     20     -16.6293      1.00000
     21     -16.5480      1.00000
     22     -16.5438      1.00000
     23     -16.5341      1.00000
     24     -16.5258      1.00000
     25     -16.5225      1.00000
     26     -15.6075      1.00000
     27     -15.5645      1.00000
     28     -15.5230      1.00000
     29     -15.5208      1.00000
     30     -15.5178      1.00000
     31     -15.5143      1.00000
     32     -14.2555      1.00000
     33     -14.2199      1.00000
     34     -14.1945      1.00000
     35     -14.1932      1.00000
     36     -14.1745      1.00000
     37     -14.1704      1.00000
     38     -11.9843      1.00000
     39     -11.8719      1.00000
     40     -11.8236      1.00000
     41     -11.8082      1.00000
     42     -11.8074      1.00000
     43     -11.8014      1.00000
     44     -11.7292      1.00000
     45     -11.7204      1.00000
     46     -11.7062      1.00000
     47     -11.6978      1.00000
     48     -11.6865      1.00000
     49     -11.6819      1.00000
     50     -10.6433      1.00000
     51     -10.3743      1.00000
     52     -10.3563      1.00000
     53     -10.3369      1.00000
     54     -10.3272      1.00000
     55     -10.3190      1.00000
     56     -10.2947      1.00000
     57      -9.7906      1.00000
     58      -9.4106      1.00000
     59      -9.3894      1.00000
     60      -9.3524      1.00000
     61      -9.3413      1.00000
     62      -9.3327      1.00000
     63      -9.1764      1.00000
     64      -9.0760      1.00000
     65      -9.0745      1.00000
     66      -9.0628      1.00000
     67      -9.0610      1.00000
     68      -9.0323      1.00000
     69      -9.0261      1.00000
     70      -9.0258      1.00000
     71      -9.0139      1.00000
     72      -9.0037      1.00000
     73      -8.9944      1.00000
     74      -8.9717      1.00000
     75      -7.9884      1.00000
     76      -7.7003      1.00000
     77      -7.5050      1.00000
     78      -7.4850      1.00000
     79      -7.4584      1.00000
     80      -7.4123      1.00000
     81      -7.3971      1.00000
     82      -7.3762      1.00000
     83      -7.3478      1.00000
     84      -7.2231      1.00000
     85      -7.1817      1.00000
     86      -7.1770      1.00000
     87      -7.1731      1.00000
     88      -6.6141      1.00000
     89      -6.5768      1.00000
     90      -6.3650      1.00000
     91      -6.3559      1.00000
     92      -6.3167      1.00000
     93      -6.2931      1.00000
     94      -5.9444      1.00000
     95      -5.8915      1.00000
     96      -5.3615      1.00000
     97      -5.1920      1.00000
     98      -4.8387      1.00000
     99      -4.7162      1.00000
    100      -4.3636      1.00000
    101      -4.3571      1.00000
    102      -4.3462      1.00000
    103      -4.3346      1.00000
    104      -4.1680      1.00000
    105      -3.9327      1.00000
    106      -3.5944      1.00000
    107      -2.9208      0.00000
    108      -1.5530      0.00000
    109      -1.5490      0.00000
    110      -1.5366      0.00000
    111      -1.5360      0.00000
    112      -1.4796      0.00000
    113      -1.4631      0.00000
    114       0.0772      0.00000
    115       0.2362      0.00000
    116       0.2812      0.00000
    117       0.3023      0.00000
    118       0.3073      0.00000
    119       0.3743      0.00000
    120       0.6172      0.00000
    121       1.2682      0.00000
    122       1.3753      0.00000
    123       1.7048      0.00000
    124       1.7575      0.00000
    125       1.7868      0.00000
    126       1.7921      0.00000
    127       1.8542      0.00000
    128       1.8743      0.00000
    129       2.0016      0.00000
    130       2.0048      0.00000
    131       2.0173      0.00000
    132       2.0229      0.00000
    133       2.0243      0.00000
    134       2.0893      0.00000
    135       2.3199      0.00000
    136       2.4661      0.00000
    137       2.5783      0.00000
    138       2.6085      0.00000
    139       2.6451      0.00000
    140       2.7398      0.00000
    141       2.8597      0.00000
    142       3.0398      0.00000
    143       3.0648      0.00000
    144       3.0804      0.00000
    145       3.0885      0.00000
    146       3.0940      0.00000
    147       3.0975      0.00000
    148       3.4546      0.00000
    149       3.5462      0.00000
    150       3.5937      0.00000
    151       3.9363      0.00000
    152       3.9464      0.00000
    153       3.9531      0.00000
    154       3.9672      0.00000
    155       3.9811      0.00000
    156       4.0558      0.00000
    157       4.1608      0.00000
    158       4.2110      0.00000
    159       4.2594      0.00000
    160       4.2729      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3339      1.00000
      2     -21.7713      1.00000
      3     -21.5966      1.00000
      4     -21.5667      1.00000
      5     -21.2214      1.00000
      6     -21.1939      1.00000
      7     -21.0199      1.00000
      8     -20.1187      1.00000
      9     -20.0869      1.00000
     10     -19.5717      1.00000
     11     -19.5443      1.00000
     12     -19.3776      1.00000
     13     -19.0495      1.00000
     14     -19.0189      1.00000
     15     -19.0042      1.00000
     16     -18.9940      1.00000
     17     -18.3277      1.00000
     18     -18.3034      1.00000
     19     -17.9808      1.00000
     20     -17.0344      1.00000
     21     -16.9837      1.00000
     22     -16.9171      1.00000
     23     -16.8981      1.00000
     24     -16.4367      1.00000
     25     -16.4147      1.00000
     26     -15.5896      1.00000
     27     -15.5568      1.00000
     28     -15.2349      1.00000
     29     -15.1949      1.00000
     30     -15.1315      1.00000
     31     -15.0573      1.00000
     32     -15.0285      1.00000
     33     -14.6690      1.00000
     34     -14.6499      1.00000
     35     -13.7058      1.00000
     36     -13.6797      1.00000
     37     -13.2012      1.00000
     38     -12.5977      1.00000
     39     -12.5405      1.00000
     40     -12.4191      1.00000
     41     -12.4026      1.00000
     42     -12.1099      1.00000
     43     -12.0680      1.00000
     44     -11.6959      1.00000
     45     -11.6470      1.00000
     46     -11.2338      1.00000
     47     -11.1893      1.00000
     48     -11.0074      1.00000
     49     -10.9706      1.00000
     50     -10.9092      1.00000
     51     -10.8655      1.00000
     52     -10.5294      1.00000
     53     -10.1277      1.00000
     54     -10.1216      1.00000
     55     -10.0802      1.00000
     56      -9.9181      1.00000
     57      -9.7068      1.00000
     58      -9.6694      1.00000
     59      -9.6115      1.00000
     60      -9.5822      1.00000
     61      -9.5432      1.00000
     62      -9.4790      1.00000
     63      -9.2949      1.00000
     64      -9.2762      1.00000
     65      -9.2286      1.00000
     66      -9.1750      1.00000
     67      -9.1098      1.00000
     68      -9.0751      1.00000
     69      -9.0645      1.00000
     70      -8.9047      1.00000
     71      -8.8457      1.00000
     72      -8.6024      1.00000
     73      -8.5658      1.00000
     74      -8.1226      1.00000
     75      -8.0442      1.00000
     76      -7.9500      1.00000
     77      -7.8299      1.00000
     78      -7.7916      1.00000
     79      -7.7281      1.00000
     80      -7.6928      1.00000
     81      -7.3480      1.00000
     82      -7.3338      1.00000
     83      -7.3267      1.00000
     84      -7.2691      1.00000
     85      -7.0653      1.00000
     86      -6.9815      1.00000
     87      -6.8251      1.00000
     88      -6.7502      1.00000
     89      -6.6419      1.00000
     90      -6.5639      1.00000
     91      -6.1379      1.00000
     92      -6.1039      1.00000
     93      -6.0931      1.00000
     94      -5.9657      1.00000
     95      -5.7340      1.00000
     96      -5.3974      1.00000
     97      -5.2068      1.00000
     98      -4.9388      1.00000
     99      -4.7990      1.00000
    100      -4.6378      1.00000
    101      -4.5376      1.00000
    102      -4.4857      1.00000
    103      -4.3645      1.00000
    104      -4.0446      1.00000
    105      -3.8142      1.00000
    106      -3.5715      1.00000
    107      -2.9429      0.00000
    108      -1.7185      0.00000
    109      -1.6754      0.00000
    110      -1.2930      0.00000
    111      -1.2720      0.00000
    112      -1.2446      0.00000
    113      -1.2131      0.00000
    114      -0.5597      0.00000
    115      -0.1912      0.00000
    116      -0.1697      0.00000
    117       0.6306      0.00000
    118       0.6793      0.00000
    119       0.7264      0.00000
    120       0.9859      0.00000
    121       1.1173      0.00000
    122       1.2409      0.00000
    123       1.3443      0.00000
    124       1.4509      0.00000
    125       1.4989      0.00000
    126       1.7452      0.00000
    127       1.7670      0.00000
    128       1.8008      0.00000
    129       1.8574      0.00000
    130       1.9518      0.00000
    131       2.1749      0.00000
    132       2.2156      0.00000
    133       2.2712      0.00000
    134       2.4311      0.00000
    135       2.5097      0.00000
    136       2.6208      0.00000
    137       2.6937      0.00000
    138       2.6989      0.00000
    139       2.7837      0.00000
    140       2.8104      0.00000
    141       2.8575      0.00000
    142       2.8610      0.00000
    143       3.0001      0.00000
    144       3.0724      0.00000
    145       3.2807      0.00000
    146       3.3653      0.00000
    147       3.3752      0.00000
    148       3.4473      0.00000
    149       3.5338      0.00000
    150       3.5989      0.00000
    151       3.6585      0.00000
    152       3.7307      0.00000
    153       3.7703      0.00000
    154       3.9377      0.00000
    155       3.9630      0.00000
    156       4.0494      0.00000
    157       4.0898      0.00000
    158       4.1713      0.00000
    159       4.2497      0.00000
    160       4.2753      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2222      1.00000
      2     -22.0308      1.00000
      3     -21.6710      1.00000
      4     -21.6416      1.00000
      5     -20.9274      1.00000
      6     -20.8970      1.00000
      7     -20.5671      1.00000
      8     -20.5324      1.00000
      9     -20.5238      1.00000
     10     -19.9909      1.00000
     11     -19.4660      1.00000
     12     -19.4364      1.00000
     13     -19.2741      1.00000
     14     -19.2536      1.00000
     15     -18.4052      1.00000
     16     -18.3678      1.00000
     17     -17.8951      1.00000
     18     -17.8646      1.00000
     19     -17.7166      1.00000
     20     -17.6825      1.00000
     21     -17.4076      1.00000
     22     -17.3828      1.00000
     23     -17.3045      1.00000
     24     -16.4322      1.00000
     25     -16.4120      1.00000
     26     -15.9171      1.00000
     27     -15.3888      1.00000
     28     -15.3589      1.00000
     29     -15.0725      1.00000
     30     -15.0452      1.00000
     31     -14.8373      1.00000
     32     -14.8030      1.00000
     33     -14.2530      1.00000
     34     -14.2151      1.00000
     35     -13.4112      1.00000
     36     -13.3613      1.00000
     37     -13.1599      1.00000
     38     -13.1302      1.00000
     39     -12.9359      1.00000
     40     -12.9260      1.00000
     41     -12.6023      1.00000
     42     -12.5700      1.00000
     43     -12.1690      1.00000
     44     -11.5631      1.00000
     45     -11.5028      1.00000
     46     -11.3005      1.00000
     47     -11.2495      1.00000
     48     -11.1205      1.00000
     49     -10.6810      1.00000
     50     -10.6327      1.00000
     51     -10.4473      1.00000
     52     -10.2868      1.00000
     53     -10.2747      1.00000
     54     -10.1599      1.00000
     55     -10.0841      1.00000
     56     -10.0700      1.00000
     57      -9.7884      1.00000
     58      -9.7383      1.00000
     59      -9.6944      1.00000
     60      -9.6734      1.00000
     61      -9.6595      1.00000
     62      -9.5976      1.00000
     63      -9.3376      1.00000
     64      -9.3204      1.00000
     65      -9.2867      1.00000
     66      -9.0292      1.00000
     67      -8.9321      1.00000
     68      -8.8418      1.00000
     69      -8.7610      1.00000
     70      -8.5916      1.00000
     71      -8.4952      1.00000
     72      -8.3697      1.00000
     73      -8.3632      1.00000
     74      -8.3032      1.00000
     75      -8.2438      1.00000
     76      -8.2423      1.00000
     77      -8.2230      1.00000
     78      -8.1957      1.00000
     79      -7.8744      1.00000
     80      -7.7446      1.00000
     81      -7.3705      1.00000
     82      -7.3146      1.00000
     83      -7.2986      1.00000
     84      -7.2068      1.00000
     85      -7.1797      1.00000
     86      -6.9492      1.00000
     87      -6.9308      1.00000
     88      -6.5927      1.00000
     89      -6.5387      1.00000
     90      -6.2648      1.00000
     91      -6.2012      1.00000
     92      -5.9816      1.00000
     93      -5.8150      1.00000
     94      -5.6687      1.00000
     95      -5.5138      1.00000
     96      -5.3304      1.00000
     97      -5.3051      1.00000
     98      -5.1922      1.00000
     99      -5.1897      1.00000
    100      -5.1070      1.00000
    101      -4.6900      1.00000
    102      -4.5501      1.00000
    103      -4.4517      1.00000
    104      -3.9146      1.00000
    105      -3.7074      1.00000
    106      -3.5369      1.00000
    107      -2.9652      0.00000
    108      -1.8170      0.00000
    109      -1.7617      0.00000
    110      -1.0854      0.00000
    111      -0.9714      0.00000
    112      -0.9413      0.00000
    113      -0.6473      0.00000
    114      -0.6050      0.00000
    115      -0.5684      0.00000
    116      -0.5313      0.00000
    117       0.1757      0.00000
    118       0.2574      0.00000
    119       0.7925      0.00000
    120       1.0085      0.00000
    121       1.1160      0.00000
    122       1.1685      0.00000
    123       1.3581      0.00000
    124       1.4831      0.00000
    125       1.5922      0.00000
    126       1.5965      0.00000
    127       1.6928      0.00000
    128       1.9137      0.00000
    129       1.9554      0.00000
    130       2.0348      0.00000
    131       2.1957      0.00000
    132       2.3454      0.00000
    133       2.3907      0.00000
    134       2.4158      0.00000
    135       2.6034      0.00000
    136       2.6895      0.00000
    137       2.7474      0.00000
    138       2.7829      0.00000
    139       2.8488      0.00000
    140       3.0095      0.00000
    141       3.0567      0.00000
    142       3.0931      0.00000
    143       3.1433      0.00000
    144       3.2668      0.00000
    145       3.3323      0.00000
    146       3.4003      0.00000
    147       3.4664      0.00000
    148       3.5452      0.00000
    149       3.5847      0.00000
    150       3.6064      0.00000
    151       3.6860      0.00000
    152       3.7123      0.00000
    153       3.7754      0.00000
    154       3.7933      0.00000
    155       3.8012      0.00000
    156       3.9466      0.00000
    157       3.9558      0.00000
    158       4.0432      0.00000
    159       4.1991      0.00000
    160       4.2608      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2592      1.00000
      2     -21.8876      1.00000
      3     -21.8753      1.00000
      4     -21.3265      1.00000
      5     -21.3143      1.00000
      6     -20.7704      1.00000
      7     -20.7559      1.00000
      8     -20.5782      1.00000
      9     -20.0296      1.00000
     10     -20.0273      1.00000
     11     -19.6715      1.00000
     12     -19.6567      1.00000
     13     -18.9482      1.00000
     14     -18.9480      1.00000
     15     -18.5927      1.00000
     16     -18.5926      1.00000
     17     -18.4178      1.00000
     18     -17.6425      1.00000
     19     -17.5869      1.00000
     20     -17.5648      1.00000
     21     -17.5601      1.00000
     22     -17.0735      1.00000
     23     -17.0722      1.00000
     24     -16.9200      1.00000
     25     -15.9535      1.00000
     26     -15.9040      1.00000
     27     -15.5475      1.00000
     28     -15.5309      1.00000
     29     -15.2680      1.00000
     30     -14.8170      1.00000
     31     -14.7942      1.00000
     32     -14.5405      1.00000
     33     -14.5101      1.00000
     34     -14.1313      1.00000
     35     -14.1274      1.00000
     36     -13.1046      1.00000
     37     -13.0409      1.00000
     38     -13.0181      1.00000
     39     -12.9864      1.00000
     40     -12.6758      1.00000
     41     -12.6736      1.00000
     42     -12.2877      1.00000
     43     -12.2813      1.00000
     44     -11.6528      1.00000
     45     -11.5994      1.00000
     46     -11.5394      1.00000
     47     -10.9401      1.00000
     48     -10.8911      1.00000
     49     -10.6372      1.00000
     50     -10.5962      1.00000
     51     -10.4748      1.00000
     52     -10.4640      1.00000
     53     -10.4057      1.00000
     54     -10.4028      1.00000
     55     -10.3143      1.00000
     56     -10.0392      1.00000
     57      -9.8756      1.00000
     58      -9.5844      1.00000
     59      -9.5212      1.00000
     60      -9.5024      1.00000
     61      -9.3782      1.00000
     62      -9.3707      1.00000
     63      -9.3401      1.00000
     64      -9.2942      1.00000
     65      -9.2413      1.00000
     66      -9.1703      1.00000
     67      -9.1264      1.00000
     68      -9.0827      1.00000
     69      -8.8447      1.00000
     70      -8.8242      1.00000
     71      -8.6812      1.00000
     72      -8.5742      1.00000
     73      -8.4189      1.00000
     74      -8.1993      1.00000
     75      -8.1520      1.00000
     76      -7.9741      1.00000
     77      -7.8825      1.00000
     78      -7.8193      1.00000
     79      -7.7928      1.00000
     80      -7.7662      1.00000
     81      -7.6755      1.00000
     82      -7.6208      1.00000
     83      -7.4096      1.00000
     84      -7.3502      1.00000
     85      -6.8995      1.00000
     86      -6.8907      1.00000
     87      -6.7310      1.00000
     88      -6.6467      1.00000
     89      -6.4084      1.00000
     90      -6.3303      1.00000
     91      -6.2889      1.00000
     92      -6.1837      1.00000
     93      -5.9722      1.00000
     94      -5.5805      1.00000
     95      -5.4783      1.00000
     96      -5.4112      1.00000
     97      -5.3705      1.00000
     98      -5.1937      1.00000
     99      -5.1059      1.00000
    100      -4.7528      1.00000
    101      -4.7036      1.00000
    102      -4.5700      1.00000
    103      -4.4199      1.00000
    104      -4.2012      1.00000
    105      -3.5551      1.00000
    106      -3.3949      1.00000
    107      -3.0482      0.00000
    108      -2.1022      0.00000
    109      -1.2450      0.00000
    110      -1.2039      0.00000
    111      -1.1753      0.00000
    112      -0.9320      0.00000
    113      -0.8331      0.00000
    114      -0.7839      0.00000
    115      -0.7016      0.00000
    116       0.1967      0.00000
    117       0.2019      0.00000
    118       0.3064      0.00000
    119       0.7710      0.00000
    120       0.8231      0.00000
    121       0.9128      0.00000
    122       1.1223      0.00000
    123       1.3305      0.00000
    124       1.5089      0.00000
    125       1.5887      0.00000
    126       1.8089      0.00000
    127       1.8360      0.00000
    128       1.8795      0.00000
    129       1.9701      0.00000
    130       1.9936      0.00000
    131       2.2559      0.00000
    132       2.4058      0.00000
    133       2.4275      0.00000
    134       2.4373      0.00000
    135       2.5582      0.00000
    136       2.5913      0.00000
    137       2.6319      0.00000
    138       2.7210      0.00000
    139       2.7359      0.00000
    140       2.9657      0.00000
    141       3.0626      0.00000
    142       3.1333      0.00000
    143       3.1989      0.00000
    144       3.2462      0.00000
    145       3.2464      0.00000
    146       3.3132      0.00000
    147       3.3504      0.00000
    148       3.5238      0.00000
    149       3.5258      0.00000
    150       3.6283      0.00000
    151       3.6982      0.00000
    152       3.7472      0.00000
    153       3.8109      0.00000
    154       3.9306      0.00000
    155       3.9900      0.00000
    156       3.9980      0.00000
    157       4.0020      0.00000
    158       4.0258      0.00000
    159       4.0333      0.00000
    160       4.1444      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1274      1.00000
      2     -22.0887      1.00000
      3     -21.9176      1.00000
      4     -21.3583      1.00000
      5     -21.0036      1.00000
      6     -20.9675      1.00000
      7     -20.4520      1.00000
      8     -20.4139      1.00000
      9     -20.2608      1.00000
     10     -20.2306      1.00000
     11     -19.9000      1.00000
     12     -19.8623      1.00000
     13     -18.8273      1.00000
     14     -18.7838      1.00000
     15     -18.3113      1.00000
     16     -18.2606      1.00000
     17     -18.1207      1.00000
     18     -18.0914      1.00000
     19     -17.7849      1.00000
     20     -17.7457      1.00000
     21     -17.2251      1.00000
     22     -17.1938      1.00000
     23     -17.1319      1.00000
     24     -17.0932      1.00000
     25     -16.0574      1.00000
     26     -15.8592      1.00000
     27     -15.8215      1.00000
     28     -15.7885      1.00000
     29     -15.2086      1.00000
     30     -14.5301      1.00000
     31     -14.4841      1.00000
     32     -14.2529      1.00000
     33     -13.9291      1.00000
     34     -13.9174      1.00000
     35     -13.7914      1.00000
     36     -13.7623      1.00000
     37     -13.5820      1.00000
     38     -13.5335      1.00000
     39     -13.3225      1.00000
     40     -12.5841      1.00000
     41     -12.1752      1.00000
     42     -12.1005      1.00000
     43     -12.0346      1.00000
     44     -11.9897      1.00000
     45     -11.6557      1.00000
     46     -11.6207      1.00000
     47     -11.1379      1.00000
     48     -11.0829      1.00000
     49     -10.7806      1.00000
     50     -10.7044      1.00000
     51     -10.4038      1.00000
     52     -10.1922      1.00000
     53     -10.1673      1.00000
     54     -10.1260      1.00000
     55      -9.9935      1.00000
     56      -9.9820      1.00000
     57      -9.9401      1.00000
     58      -9.7942      1.00000
     59      -9.7697      1.00000
     60      -9.7416      1.00000
     61      -9.7205      1.00000
     62      -9.4374      1.00000
     63      -9.3352      1.00000
     64      -9.0891      1.00000
     65      -9.0435      1.00000
     66      -9.0027      1.00000
     67      -8.8911      1.00000
     68      -8.8251      1.00000
     69      -8.7080      1.00000
     70      -8.6649      1.00000
     71      -8.5668      1.00000
     72      -8.5074      1.00000
     73      -8.4718      1.00000
     74      -8.4370      1.00000
     75      -8.3319      1.00000
     76      -8.1979      1.00000
     77      -8.0663      1.00000
     78      -7.9801      1.00000
     79      -7.9076      1.00000
     80      -7.8801      1.00000
     81      -7.6950      1.00000
     82      -7.5615      1.00000
     83      -7.4932      1.00000
     84      -6.9786      1.00000
     85      -6.9090      1.00000
     86      -6.8590      1.00000
     87      -6.7409      1.00000
     88      -6.5200      1.00000
     89      -6.4681      1.00000
     90      -6.3788      1.00000
     91      -6.1926      1.00000
     92      -5.9291      1.00000
     93      -5.7958      1.00000
     94      -5.7498      1.00000
     95      -5.5568      1.00000
     96      -5.3757      1.00000
     97      -5.2434      1.00000
     98      -5.1955      1.00000
     99      -5.1815      1.00000
    100      -5.1216      1.00000
    101      -4.8094      1.00000
    102      -4.5398      1.00000
    103      -4.4580      1.00000
    104      -4.2453      1.00000
    105      -3.5561      1.00000
    106      -3.2895      1.00000
    107      -2.9380      0.00000
    108      -2.3430      0.00000
    109      -1.1825      0.00000
    110      -1.1638      0.00000
    111      -1.1143      0.00000
    112      -1.0588      0.00000
    113      -0.5032      0.00000
    114      -0.4562      0.00000
    115      -0.2970      0.00000
    116      -0.2723      0.00000
    117       0.0007      0.00000
    118       0.0356      0.00000
    119       0.5323      0.00000
    120       0.6429      0.00000
    121       0.8869      0.00000
    122       0.9836      0.00000
    123       1.1915      0.00000
    124       1.5383      0.00000
    125       1.7695      0.00000
    126       1.7891      0.00000
    127       2.0084      0.00000
    128       2.1294      0.00000
    129       2.1386      0.00000
    130       2.1518      0.00000
    131       2.2657      0.00000
    132       2.3120      0.00000
    133       2.3654      0.00000
    134       2.4647      0.00000
    135       2.6703      0.00000
    136       2.7567      0.00000
    137       2.7998      0.00000
    138       2.8806      0.00000
    139       2.9706      0.00000
    140       3.0117      0.00000
    141       3.0650      0.00000
    142       3.1194      0.00000
    143       3.1700      0.00000
    144       3.2442      0.00000
    145       3.2707      0.00000
    146       3.3022      0.00000
    147       3.3313      0.00000
    148       3.3523      0.00000
    149       3.4136      0.00000
    150       3.5426      0.00000
    151       3.6305      0.00000
    152       3.6795      0.00000
    153       3.7058      0.00000
    154       3.7156      0.00000
    155       3.7373      0.00000
    156       3.7960      0.00000
    157       3.9684      0.00000
    158       4.0678      0.00000
    159       4.1472      0.00000
    160       4.2746      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2588      1.00000
      2     -21.9005      1.00000
      3     -21.8625      1.00000
      4     -21.3380      1.00000
      5     -21.3022      1.00000
      6     -20.7823      1.00000
      7     -20.7442      1.00000
      8     -20.5780      1.00000
      9     -20.0472      1.00000
     10     -20.0115      1.00000
     11     -19.6806      1.00000
     12     -19.6456      1.00000
     13     -18.9681      1.00000
     14     -18.9304      1.00000
     15     -18.6122      1.00000
     16     -18.5748      1.00000
     17     -18.4173      1.00000
     18     -17.6322      1.00000
     19     -17.5871      1.00000
     20     -17.5661      1.00000
     21     -17.5490      1.00000
     22     -17.0978      1.00000
     23     -17.0553      1.00000
     24     -16.9378      1.00000
     25     -15.9811      1.00000
     26     -15.8697      1.00000
     27     -15.5670      1.00000
     28     -15.5279      1.00000
     29     -15.2315      1.00000
     30     -14.8492      1.00000
     31     -14.7912      1.00000
     32     -14.5378      1.00000
     33     -14.5002      1.00000
     34     -14.1284      1.00000
     35     -14.1162      1.00000
     36     -13.1560      1.00000
     37     -13.0493      1.00000
     38     -12.9960      1.00000
     39     -12.9761      1.00000
     40     -12.6994      1.00000
     41     -12.6541      1.00000
     42     -12.2974      1.00000
     43     -12.2783      1.00000
     44     -11.6191      1.00000
     45     -11.5861      1.00000
     46     -11.5258      1.00000
     47     -10.9224      1.00000
     48     -10.8963      1.00000
     49     -10.7119      1.00000
     50     -10.5661      1.00000
     51     -10.5341      1.00000
     52     -10.4659      1.00000
     53     -10.4253      1.00000
     54     -10.3662      1.00000
     55     -10.3150      1.00000
     56     -10.0339      1.00000
     57      -9.8699      1.00000
     58      -9.6015      1.00000
     59      -9.5223      1.00000
     60      -9.4539      1.00000
     61      -9.4033      1.00000
     62      -9.3723      1.00000
     63      -9.3416      1.00000
     64      -9.2972      1.00000
     65      -9.2452      1.00000
     66      -9.1342      1.00000
     67      -9.0880      1.00000
     68      -9.0714      1.00000
     69      -8.8507      1.00000
     70      -8.8325      1.00000
     71      -8.7028      1.00000
     72      -8.5597      1.00000
     73      -8.4373      1.00000
     74      -8.1978      1.00000
     75      -8.1696      1.00000
     76      -8.0390      1.00000
     77      -7.8666      1.00000
     78      -7.8035      1.00000
     79      -7.7703      1.00000
     80      -7.7174      1.00000
     81      -7.6792      1.00000
     82      -7.6412      1.00000
     83      -7.4467      1.00000
     84      -7.3077      1.00000
     85      -6.9185      1.00000
     86      -6.8880      1.00000
     87      -6.7761      1.00000
     88      -6.5571      1.00000
     89      -6.3885      1.00000
     90      -6.3223      1.00000
     91      -6.2776      1.00000
     92      -6.1696      1.00000
     93      -6.0674      1.00000
     94      -5.7831      1.00000
     95      -5.5314      1.00000
     96      -5.3562      1.00000
     97      -5.2038      1.00000
     98      -5.1770      1.00000
     99      -5.0297      1.00000
    100      -4.8136      1.00000
    101      -4.6690      1.00000
    102      -4.4934      1.00000
    103      -4.4315      1.00000
    104      -4.2366      1.00000
    105      -3.6318      1.00000
    106      -3.5474      1.00000
    107      -2.8438      0.00000
    108      -2.1351      0.00000
    109      -1.2454      0.00000
    110      -1.1888      0.00000
    111      -1.1779      0.00000
    112      -0.8854      0.00000
    113      -0.8670      0.00000
    114      -0.7858      0.00000
    115      -0.7528      0.00000
    116       0.1436      0.00000
    117       0.2447      0.00000
    118       0.3169      0.00000
    119       0.7234      0.00000
    120       0.8584      0.00000
    121       0.9369      0.00000
    122       1.1682      0.00000
    123       1.2645      0.00000
    124       1.5220      0.00000
    125       1.5867      0.00000
    126       1.7991      0.00000
    127       1.8853      0.00000
    128       1.8942      0.00000
    129       1.9727      0.00000
    130       2.0545      0.00000
    131       2.2268      0.00000
    132       2.3430      0.00000
    133       2.4365      0.00000
    134       2.4499      0.00000
    135       2.5787      0.00000
    136       2.6080      0.00000
    137       2.6653      0.00000
    138       2.7210      0.00000
    139       2.7631      0.00000
    140       2.9024      0.00000
    141       3.0506      0.00000
    142       3.1482      0.00000
    143       3.2055      0.00000
    144       3.2321      0.00000
    145       3.2473      0.00000
    146       3.2868      0.00000
    147       3.3487      0.00000
    148       3.4473      0.00000
    149       3.5541      0.00000
    150       3.6120      0.00000
    151       3.6960      0.00000
    152       3.7259      0.00000
    153       3.8632      0.00000
    154       3.9058      0.00000
    155       3.9396      0.00000
    156       3.9671      0.00000
    157       4.0211      0.00000
    158       4.0261      0.00000
    159       4.0399      0.00000
    160       4.0861      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3337      1.00000
      2     -21.7733      1.00000
      3     -21.5924      1.00000
      4     -21.5681      1.00000
      5     -21.2232      1.00000
      6     -21.1941      1.00000
      7     -21.0185      1.00000
      8     -20.1188      1.00000
      9     -20.0873      1.00000
     10     -19.5764      1.00000
     11     -19.5420      1.00000
     12     -19.3725      1.00000
     13     -19.0607      1.00000
     14     -19.0203      1.00000
     15     -19.0032      1.00000
     16     -18.9853      1.00000
     17     -18.3331      1.00000
     18     -18.3020      1.00000
     19     -17.9735      1.00000
     20     -17.0232      1.00000
     21     -16.9822      1.00000
     22     -16.9251      1.00000
     23     -16.8992      1.00000
     24     -16.4543      1.00000
     25     -16.4193      1.00000
     26     -15.5757      1.00000
     27     -15.5472      1.00000
     28     -15.2039      1.00000
     29     -15.1814      1.00000
     30     -15.1625      1.00000
     31     -15.0831      1.00000
     32     -15.0290      1.00000
     33     -14.6698      1.00000
     34     -14.6432      1.00000
     35     -13.7034      1.00000
     36     -13.6713      1.00000
     37     -13.2072      1.00000
     38     -12.6394      1.00000
     39     -12.5385      1.00000
     40     -12.4261      1.00000
     41     -12.4036      1.00000
     42     -12.0734      1.00000
     43     -12.0523      1.00000
     44     -11.6769      1.00000
     45     -11.6449      1.00000
     46     -11.2872      1.00000
     47     -11.1846      1.00000
     48     -10.9958      1.00000
     49     -10.9641      1.00000
     50     -10.8882      1.00000
     51     -10.8558      1.00000
     52     -10.5617      1.00000
     53     -10.2061      1.00000
     54     -10.1163      1.00000
     55     -10.0594      1.00000
     56      -9.8895      1.00000
     57      -9.6625      1.00000
     58      -9.6621      1.00000
     59      -9.6262      1.00000
     60      -9.6000      1.00000
     61      -9.5327      1.00000
     62      -9.4734      1.00000
     63      -9.3129      1.00000
     64      -9.2647      1.00000
     65      -9.2209      1.00000
     66      -9.1931      1.00000
     67      -9.0952      1.00000
     68      -9.0905      1.00000
     69      -9.0686      1.00000
     70      -8.9026      1.00000
     71      -8.8379      1.00000
     72      -8.5730      1.00000
     73      -8.5589      1.00000
     74      -8.1713      1.00000
     75      -8.0108      1.00000
     76      -7.9481      1.00000
     77      -7.8827      1.00000
     78      -7.7764      1.00000
     79      -7.7279      1.00000
     80      -7.7132      1.00000
     81      -7.4023      1.00000
     82      -7.2820      1.00000
     83      -7.2448      1.00000
     84      -7.2176      1.00000
     85      -7.1530      1.00000
     86      -6.9676      1.00000
     87      -6.8568      1.00000
     88      -6.6935      1.00000
     89      -6.6616      1.00000
     90      -6.5851      1.00000
     91      -6.1596      1.00000
     92      -6.0870      1.00000
     93      -6.0719      1.00000
     94      -5.9088      1.00000
     95      -5.8820      1.00000
     96      -5.3764      1.00000
     97      -5.1900      1.00000
     98      -4.8722      1.00000
     99      -4.8562      1.00000
    100      -4.6464      1.00000
    101      -4.5241      1.00000
    102      -4.3906      1.00000
    103      -4.2657      1.00000
    104      -4.0639      1.00000
    105      -4.0390      1.00000
    106      -3.5658      1.00000
    107      -2.8652      0.00000
    108      -1.7039      0.00000
    109      -1.6983      0.00000
    110      -1.3069      0.00000
    111      -1.2606      0.00000
    112      -1.2301      0.00000
    113      -1.2290      0.00000
    114      -0.5668      0.00000
    115      -0.2540      0.00000
    116      -0.1141      0.00000
    117       0.5857      0.00000
    118       0.6765      0.00000
    119       0.8088      0.00000
    120       0.9577      0.00000
    121       1.1405      0.00000
    122       1.2052      0.00000
    123       1.2840      0.00000
    124       1.4600      0.00000
    125       1.6224      0.00000
    126       1.6907      0.00000
    127       1.7794      0.00000
    128       1.7852      0.00000
    129       1.9126      0.00000
    130       1.9403      0.00000
    131       2.1857      0.00000
    132       2.1983      0.00000
    133       2.2407      0.00000
    134       2.4741      0.00000
    135       2.5119      0.00000
    136       2.6051      0.00000
    137       2.6424      0.00000
    138       2.7099      0.00000
    139       2.8310      0.00000
    140       2.8366      0.00000
    141       2.8614      0.00000
    142       2.9623      0.00000
    143       2.9837      0.00000
    144       3.0290      0.00000
    145       3.1508      0.00000
    146       3.3579      0.00000
    147       3.3835      0.00000
    148       3.4293      0.00000
    149       3.5940      0.00000
    150       3.6239      0.00000
    151       3.6390      0.00000
    152       3.6826      0.00000
    153       3.7961      0.00000
    154       3.8128      0.00000
    155       4.0155      0.00000
    156       4.0373      0.00000
    157       4.0603      0.00000
    158       4.1372      0.00000
    159       4.2441      0.00000
    160       4.3589      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1172      1.00000
      2     -22.1010      1.00000
      3     -21.9156      1.00000
      4     -21.3583      1.00000
      5     -20.9916      1.00000
      6     -20.9797      1.00000
      7     -20.4402      1.00000
      8     -20.4262      1.00000
      9     -20.2467      1.00000
     10     -20.2452      1.00000
     11     -19.8877      1.00000
     12     -19.8739      1.00000
     13     -18.8216      1.00000
     14     -18.7951      1.00000
     15     -18.2832      1.00000
     16     -18.2773      1.00000
     17     -18.1123      1.00000
     18     -18.1053      1.00000
     19     -17.7651      1.00000
     20     -17.7610      1.00000
     21     -17.2293      1.00000
     22     -17.2011      1.00000
     23     -17.1148      1.00000
     24     -17.0986      1.00000
     25     -16.0913      1.00000
     26     -15.8316      1.00000
     27     -15.8209      1.00000
     28     -15.8050      1.00000
     29     -15.1829      1.00000
     30     -14.5111      1.00000
     31     -14.4977      1.00000
     32     -14.2280      1.00000
     33     -13.9634      1.00000
     34     -13.9255      1.00000
     35     -13.7891      1.00000
     36     -13.7769      1.00000
     37     -13.5586      1.00000
     38     -13.5396      1.00000
     39     -13.3292      1.00000
     40     -12.6100      1.00000
     41     -12.1291      1.00000
     42     -12.1183      1.00000
     43     -12.0063      1.00000
     44     -11.9895      1.00000
     45     -11.6517      1.00000
     46     -11.6365      1.00000
     47     -11.1389      1.00000
     48     -11.1013      1.00000
     49     -10.7591      1.00000
     50     -10.7014      1.00000
     51     -10.4412      1.00000
     52     -10.1726      1.00000
     53     -10.1652      1.00000
     54     -10.1486      1.00000
     55     -10.0024      1.00000
     56      -9.9631      1.00000
     57      -9.9364      1.00000
     58      -9.8137      1.00000
     59      -9.7647      1.00000
     60      -9.7425      1.00000
     61      -9.7284      1.00000
     62      -9.4312      1.00000
     63      -9.3319      1.00000
     64      -9.0773      1.00000
     65      -9.0398      1.00000
     66      -8.9680      1.00000
     67      -8.9404      1.00000
     68      -8.8006      1.00000
     69      -8.6829      1.00000
     70      -8.6666      1.00000
     71      -8.5464      1.00000
     72      -8.5141      1.00000
     73      -8.4437      1.00000
     74      -8.4369      1.00000
     75      -8.2996      1.00000
     76      -8.2307      1.00000
     77      -8.1098      1.00000
     78      -8.0482      1.00000
     79      -8.0239      1.00000
     80      -7.7886      1.00000
     81      -7.6006      1.00000
     82      -7.5922      1.00000
     83      -7.4603      1.00000
     84      -7.0023      1.00000
     85      -6.9479      1.00000
     86      -6.8622      1.00000
     87      -6.5741      1.00000
     88      -6.5404      1.00000
     89      -6.4591      1.00000
     90      -6.4064      1.00000
     91      -6.3300      1.00000
     92      -5.9847      1.00000
     93      -5.7689      1.00000
     94      -5.7270      1.00000
     95      -5.5591      1.00000
     96      -5.3790      1.00000
     97      -5.2041      1.00000
     98      -5.1989      1.00000
     99      -5.1774      1.00000
    100      -5.1557      1.00000
    101      -4.6485      1.00000
    102      -4.5018      1.00000
    103      -4.4425      1.00000
    104      -4.3847      1.00000
    105      -3.5730      1.00000
    106      -3.4307      1.00000
    107      -2.7324      0.00000
    108      -2.4078      0.00000
    109      -1.1651      0.00000
    110      -1.1568      0.00000
    111      -1.1469      0.00000
    112      -1.0516      0.00000
    113      -0.4882      0.00000
    114      -0.4783      0.00000
    115      -0.3228      0.00000
    116      -0.2466      0.00000
    117       0.0056      0.00000
    118       0.0086      0.00000
    119       0.5229      0.00000
    120       0.6643      0.00000
    121       0.8242      0.00000
    122       1.0085      0.00000
    123       1.2473      0.00000
    124       1.5092      0.00000
    125       1.7690      0.00000
    126       1.9620      0.00000
    127       1.9661      0.00000
    128       2.0324      0.00000
    129       2.1176      0.00000
    130       2.1824      0.00000
    131       2.2895      0.00000
    132       2.2954      0.00000
    133       2.3690      0.00000
    134       2.5635      0.00000
    135       2.6391      0.00000
    136       2.6890      0.00000
    137       2.8544      0.00000
    138       2.8937      0.00000
    139       2.9687      0.00000
    140       3.0024      0.00000
    141       3.1376      0.00000
    142       3.1480      0.00000
    143       3.1521      0.00000
    144       3.1874      0.00000
    145       3.2496      0.00000
    146       3.2545      0.00000
    147       3.3407      0.00000
    148       3.3566      0.00000
    149       3.4277      0.00000
    150       3.4361      0.00000
    151       3.5215      0.00000
    152       3.6463      0.00000
    153       3.6938      0.00000
    154       3.7184      0.00000
    155       3.8453      0.00000
    156       3.9171      0.00000
    157       3.9745      0.00000
    158       4.0046      0.00000
    159       4.1265      0.00000
    160       4.2169      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2211      1.00000
      2     -22.0332      1.00000
      3     -21.6681      1.00000
      4     -21.6428      1.00000
      5     -20.9274      1.00000
      6     -20.8974      1.00000
      7     -20.5578      1.00000
      8     -20.5380      1.00000
      9     -20.5274      1.00000
     10     -19.9910      1.00000
     11     -19.4665      1.00000
     12     -19.4335      1.00000
     13     -19.2806      1.00000
     14     -19.2532      1.00000
     15     -18.3991      1.00000
     16     -18.3676      1.00000
     17     -17.8971      1.00000
     18     -17.8647      1.00000
     19     -17.7145      1.00000
     20     -17.6806      1.00000
     21     -17.4122      1.00000
     22     -17.3813      1.00000
     23     -17.2943      1.00000
     24     -16.4536      1.00000
     25     -16.4144      1.00000
     26     -15.9357      1.00000
     27     -15.3787      1.00000
     28     -15.3509      1.00000
     29     -15.0672      1.00000
     30     -15.0377      1.00000
     31     -14.8100      1.00000
     32     -14.7882      1.00000
     33     -14.2857      1.00000
     34     -14.2142      1.00000
     35     -13.4428      1.00000
     36     -13.3600      1.00000
     37     -13.1521      1.00000
     38     -13.1206      1.00000
     39     -12.9604      1.00000
     40     -12.9300      1.00000
     41     -12.5860      1.00000
     42     -12.5590      1.00000
     43     -12.1734      1.00000
     44     -11.5344      1.00000
     45     -11.4984      1.00000
     46     -11.2732      1.00000
     47     -11.2445      1.00000
     48     -11.1305      1.00000
     49     -10.7661      1.00000
     50     -10.6255      1.00000
     51     -10.4491      1.00000
     52     -10.2812      1.00000
     53     -10.2744      1.00000
     54     -10.1655      1.00000
     55     -10.0884      1.00000
     56     -10.0561      1.00000
     57      -9.8046      1.00000
     58      -9.7039      1.00000
     59      -9.6905      1.00000
     60      -9.6829      1.00000
     61      -9.6697      1.00000
     62      -9.6037      1.00000
     63      -9.3436      1.00000
     64      -9.3162      1.00000
     65      -9.2865      1.00000
     66      -8.9684      1.00000
     67      -8.9287      1.00000
     68      -8.8787      1.00000
     69      -8.7468      1.00000
     70      -8.5596      1.00000
     71      -8.4825      1.00000
     72      -8.3995      1.00000
     73      -8.3594      1.00000
     74      -8.2858      1.00000
     75      -8.2394      1.00000
     76      -8.2239      1.00000
     77      -8.2099      1.00000
     78      -8.1928      1.00000
     79      -7.9954      1.00000
     80      -7.7790      1.00000
     81      -7.4136      1.00000
     82      -7.3172      1.00000
     83      -7.2392      1.00000
     84      -7.1398      1.00000
     85      -7.0945      1.00000
     86      -6.9556      1.00000
     87      -6.9081      1.00000
     88      -6.5843      1.00000
     89      -6.5573      1.00000
     90      -6.4342      1.00000
     91      -6.2471      1.00000
     92      -5.9031      1.00000
     93      -5.8224      1.00000
     94      -5.6743      1.00000
     95      -5.5832      1.00000
     96      -5.2943      1.00000
     97      -5.2597      1.00000
     98      -5.1833      1.00000
     99      -5.1833      1.00000
    100      -5.1599      1.00000
    101      -4.5226      1.00000
    102      -4.4557      1.00000
    103      -4.3977      1.00000
    104      -4.0754      1.00000
    105      -3.9276      1.00000
    106      -3.5188      1.00000
    107      -2.8146      0.00000
    108      -1.8045      0.00000
    109      -1.7929      0.00000
    110      -1.0776      0.00000
    111      -1.0099      0.00000
    112      -0.9262      0.00000
    113      -0.6544      0.00000
    114      -0.6056      0.00000
    115      -0.5694      0.00000
    116      -0.5276      0.00000
    117       0.1597      0.00000
    118       0.2634      0.00000
    119       0.7141      0.00000
    120       0.9765      0.00000
    121       1.0969      0.00000
    122       1.2566      0.00000
    123       1.4298      0.00000
    124       1.5363      0.00000
    125       1.6048      0.00000
    126       1.6368      0.00000
    127       1.6494      0.00000
    128       1.8496      0.00000
    129       1.9408      0.00000
    130       2.1201      0.00000
    131       2.2175      0.00000
    132       2.3495      0.00000
    133       2.3743      0.00000
    134       2.4736      0.00000
    135       2.6066      0.00000
    136       2.6658      0.00000
    137       2.7489      0.00000
    138       2.7523      0.00000
    139       2.8632      0.00000
    140       2.9695      0.00000
    141       3.0623      0.00000
    142       3.0773      0.00000
    143       3.1962      0.00000
    144       3.2944      0.00000
    145       3.3395      0.00000
    146       3.3524      0.00000
    147       3.4882      0.00000
    148       3.5350      0.00000
    149       3.5664      0.00000
    150       3.6041      0.00000
    151       3.6243      0.00000
    152       3.6987      0.00000
    153       3.7419      0.00000
    154       3.7836      0.00000
    155       3.7907      0.00000
    156       3.8604      0.00000
    157       3.9356      0.00000
    158       4.0242      0.00000
    159       4.0450      0.00000
    160       4.2923      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0450   -6.8578    2.8565   -0.4769   -0.0182   17.1422    0.0991   -0.0750    0.1199   -0.2121
x    -3.1502   -0.0334   -0.0584    0.0253    0.0335   -3.0236    0.0201   -0.0018   -0.0001    0.0000
x    -0.0932   -0.0011    0.0020   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0450    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0011    0.0005    0.0034   -0.0984   -0.0407    0.0704    0.0103
y     0.0426   -3.2490   -0.0992    0.2041   -2.4401   -0.6650
z   204.0450    1.9851    0.0138   -0.0671    0.0177    0.0775   -0.0028   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0613    0.0083    0.0020    0.0006    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8100
z    -0.5100    0.0393    0.0741    0.1456   -0.0978   -0.0018
 total charge-density along one line
x   212.0000   -9.6853    4.7910   -1.2799   -0.2536   19.0820   -1.1238    1.0512   -0.6832    0.2216
x    -2.7486   -0.0176   -0.0410    0.0178    0.0342   -2.3071    0.0194    0.0019   -0.0030   -0.0008
x    -0.0822    0.0012   -0.0021    0.0004    0.0010   -0.0370    0.0003    0.0005   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6853    4.7910   -1.2799   -0.2536   19.0820   -1.1238    1.0512   -0.6832    0.2216
y    -2.7486   -0.0176   -0.0410    0.0178    0.0342   -2.3071    0.0194    0.0019   -0.0030   -0.0008
y    -0.0822    0.0012   -0.0021    0.0004    0.0010   -0.0370    0.0003    0.0005   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6781  189.4288 -169.4346  151.1794 -136.5078  123.7877 -110.3136   94.7116  -77.7465
z    61.4758  -47.7801   37.3792  -29.7928   23.9762  -19.0402   14.6083  -10.7376    7.6176   -5.3162
z     3.7122   -2.5835    1.7320   -1.0503    0.5104   -0.1146   -0.1440    0.2906   -0.3580    0.3749
z    -0.3623    0.3367   -0.3103    0.2893   -0.2715    0.2499   -0.2186    0.1786   -0.1368    0.1022
z    -0.0793    0.0668   -0.0592    0.0516   -0.0420    0.0320   -0.0237    0.0184   -0.0156    0.0141
z    -0.0125    0.0107   -0.0088    0.0069   -0.0052    0.0039   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.301   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.420   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.298   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.196   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.268   0.000   0.298   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.062   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.068   0.037   0.000  -0.053   0.000   0.000
  0.279   0.000  -0.268   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.110   0.321  -0.103   0.000   0.025   0.000   0.000
  0.000   0.047   0.000  -0.062   0.000   0.000   0.111   0.000  -0.049   0.000   0.000   0.000   0.026   0.000   0.059   0.001
 -0.305   0.000   0.298   0.000   0.182  -0.122   0.000   0.429   0.000   0.069   0.148  -0.138   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.049   0.000   0.171   0.000   0.000   0.000   0.060   0.000  -0.042  -0.002
 -0.196   0.000   0.158   0.000   0.063  -0.110   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.068   0.321   0.000   0.148   0.000  -0.178   1.140  -0.354   0.000  -0.140   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.103   0.000  -0.138   0.000   0.061  -0.354   0.214   0.000   0.097   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.026   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.175  -0.009
  0.081   0.000  -0.096   0.000  -0.053   0.025   0.000  -0.178   0.000  -0.012  -0.140   0.097   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.042   0.000   0.000   0.000   0.175   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.008   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.855   8.784
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.643
  5        0.864   1.782   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.785   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.775   0.000   2.640
 17        0.849   1.732   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.783   0.000   2.646
 22        0.865   1.767   0.000   2.632
 23        0.864   1.775   0.000   2.638
 24        0.863   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.638
 36        0.865   1.767   0.000   2.632
 37        0.863   1.783   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.785   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.581
 42        0.865   1.775   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.643
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.792  89.405   7.855 142.052
 


 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  114.61: CPU time   57.78
    FORLOC:  VPU time    1.25: CPU time    1.24
    FORNL :  VPU time  442.46: CPU time  222.00
    STRESS:  VPU time 1363.29: CPU time  685.66
    FORCOR:  VPU time    8.20: CPU time    8.20
    FORHAR:  VPU time    1.98: CPU time    1.98
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.2343302E-04[ 0.215E-04, 0.253E-04]  d Energy = 0.2627930E-04-0.285E-05
 d Force =-0.1167051E+00[-0.117E+00,-0.117E+00]  d Ewald  = 0.4837417E+00-0.600E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648731 eV

  energy  without entropy=     -469.648731  energy(sigma->0) =     -469.648731
 

  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    40934.83  40980.39 -47640.49     39.45      0.00      0.00
  Hartree  40393.34  40418.10 -39641.72     21.44      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.30      0.00      0.00
  Local   -83619.05 -83686.79  84594.88    -58.67      0.00      0.00
  n-local   -214.72   -206.82   -206.57      5.96      0.00      0.00
  augment     21.81     19.28     20.59     -2.20      0.00      0.00
  Kinetic   3165.43   3163.59   3585.94     -8.04      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.49     -0.40     -0.42      0.08      0.00      0.00
  in kB       -0.30     -0.24     -0.26      0.05      0.00      0.00
  external pressure =       -0.27 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342239130 -0.001700153  0.000000000     0.081029022  0.046797080  0.000000000
    -6.172598579 10.687838380  0.000000000     0.000012890  0.093571733  0.000000000
     0.000000000  0.000000000 20.000262007     0.000000000  0.000000000  0.049999345

  length of vectors
    12.342239247 12.342238956 20.000262007     0.093571732  0.093571734  0.049999345


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.854E-05 -.311E-04 -.110E+04   0.447E-05 -.262E-04 0.110E+04   -.169E-20 0.169E-20 0.368E+01   0.675E-08 -.811E-09 0.305E-02
   -.268E+02 -.463E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.195E+00   0.372E-04 0.622E-04 0.507E-03
   0.268E+02 0.463E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.195E+00   -.372E-04 -.622E-04 0.507E-03
   -.209E+01 0.121E+01 0.308E+02   0.204E+01 -.118E+01 -.308E+02   0.512E-01 -.296E-01 0.687E-02   -.474E-03 0.271E-03 0.300E-03
   0.660E+01 0.653E+01 0.344E+02   -.657E+01 -.651E+01 -.343E+02   -.348E-01 -.104E-01 -.433E-01   0.696E-03 -.105E-03 0.409E-03
   0.117E+02 0.588E+01 0.251E+02   -.117E+02 -.590E+01 -.250E+02   -.527E-01 0.190E-01 -.120E+00   0.666E-03 0.313E-03 0.100E-02
   0.430E+01 -.108E+01 0.209E+02   -.430E+01 0.108E+01 -.209E+02   0.131E-02 -.804E-02 0.144E-01   0.809E-04 0.836E-03 0.101E-02
   -.286E+01 -.261E+01 0.221E+02   0.286E+01 0.259E+01 -.221E+02   -.347E-02 0.168E-01 0.212E-01   -.967E-03 0.165E-03 0.150E-02
   0.831E+00 0.378E+01 0.221E+02   -.814E+00 -.378E+01 -.221E+02   -.163E-01 -.541E-02 0.212E-01   -.632E-03 0.749E-03 0.149E-02
   0.289E+01 0.187E+02 0.370E+02   -.293E+01 -.187E+02 -.369E+02   0.321E-01 -.255E-01 -.201E-01   -.272E-03 0.145E-02 0.135E-03
   0.203E+02 0.223E+02 0.461E+02   -.203E+02 -.224E+02 -.457E+02   0.546E-02 0.119E+00 -.323E+00   0.477E-03 -.125E-04 -.266E-02
   0.273E+02 -.583E+01 0.229E+02   -.274E+02 0.589E+01 -.229E+02   0.945E-01 -.612E-01 0.120E-01   0.763E-03 -.269E-03 -.873E-03
   0.978E+01 -.565E+01 0.157E+02   -.973E+01 0.562E+01 -.158E+02   -.598E-01 0.345E-01 0.416E-01   0.225E-03 -.136E-03 0.181E-02
   0.309E+01 -.319E+01 0.209E+02   -.309E+01 0.318E+01 -.209E+02   0.761E-02 0.288E-02 0.144E-01   -.685E-03 -.492E-03 0.993E-03
   -.691E+01 0.128E+02 0.240E+02   0.689E+01 -.128E+02 -.241E+02   0.235E-01 -.706E-03 0.195E-01   -.127E-02 0.139E-02 0.655E-03
   -.134E+02 0.311E+02 0.318E+02   0.133E+02 -.315E+02 -.321E+02   0.104E+00 0.440E+00 0.267E+00   -.258E-03 0.115E-02 -.413E-02
   0.341E+02 -.197E+02 0.950E+01   -.353E+02 0.204E+02 -.118E+02   0.114E+01 -.659E+00 0.233E+01   0.408E-03 -.239E-03 -.530E-02
   0.187E+02 -.208E+02 0.229E+02   -.188E+02 0.208E+02 -.229E+02   0.100E+00 -.512E-01 0.120E-01   0.613E-03 -.534E-03 -.880E-03
   0.765E+00 -.131E+02 0.251E+02   -.720E+00 0.130E+02 -.250E+02   -.428E-01 0.361E-01 -.120E+00   0.648E-04 -.734E-03 0.996E-03
   -.408E+01 0.985E+00 0.175E+02   0.409E+01 -.100E+01 -.174E+02   -.302E-02 0.192E-01 -.797E-01   -.936E-03 -.132E-05 0.182E-02
   -.181E+02 0.105E+02 0.130E+02   0.181E+02 -.105E+02 -.127E+02   0.429E-02 -.248E-02 -.247E+00   -.140E-02 0.813E-03 0.738E-03
   -.336E+02 -.393E+01 0.318E+02   0.340E+02 0.424E+01 -.321E+02   -.329E+00 -.310E+00 0.267E+00   -.112E-02 -.353E-03 -.413E-02
   -.911E+01 -.287E+02 0.461E+02   0.920E+01 0.288E+02 -.457E+02   -.100E+00 -.641E-01 -.323E+00   0.252E-03 -.412E-03 -.267E-02
   -.235E+01 -.898E+01 0.344E+02   0.235E+01 0.895E+01 -.343E+02   -.837E-02 0.354E-01 -.433E-01   0.441E-03 -.553E-03 0.407E-03
   0.118E+01 -.683E+00 0.238E+02   -.117E+01 0.674E+00 -.237E+02   -.167E-01 0.964E-02 -.655E-01   0.428E-03 -.245E-03 0.808E-03
   -.289E+01 0.304E+01 0.175E+02   0.291E+01 -.304E+01 -.174E+02   -.181E-01 -.699E-02 -.797E-01   -.465E-03 0.815E-03 0.183E-02
   -.146E+02 -.426E+00 0.240E+02   0.145E+02 0.445E+00 -.241E+02   0.123E-01 -.200E-01 0.195E-01   -.184E-02 0.403E-03 0.667E-03
   -.148E+02 -.119E+02 0.370E+02   0.147E+02 0.119E+02 -.369E+02   0.382E-01 -.150E-01 -.201E-01   -.139E-02 -.493E-03 0.139E-03
   0.235E+01 0.898E+01 0.344E+02   -.235E+01 -.895E+01 -.343E+02   0.837E-02 -.354E-01 -.433E-01   -.441E-03 0.553E-03 0.407E-03
   0.148E+02 0.119E+02 0.370E+02   -.147E+02 -.119E+02 -.369E+02   -.382E-01 0.150E-01 -.201E-01   0.139E-02 0.493E-03 0.139E-03
   0.146E+02 0.426E+00 0.240E+02   -.145E+02 -.445E+00 -.241E+02   -.123E-01 0.200E-01 0.195E-01   0.184E-02 -.403E-03 0.667E-03
   0.289E+01 -.304E+01 0.175E+02   -.291E+01 0.304E+01 -.174E+02   0.181E-01 0.699E-02 -.797E-01   0.465E-03 -.815E-03 0.183E-02
   -.118E+01 0.683E+00 0.238E+02   0.117E+01 -.674E+00 -.237E+02   0.167E-01 -.964E-02 -.655E-01   -.428E-03 0.245E-03 0.808E-03
   -.765E+00 0.131E+02 0.251E+02   0.720E+00 -.130E+02 -.250E+02   0.428E-01 -.361E-01 -.120E+00   -.648E-04 0.734E-03 0.996E-03
   0.911E+01 0.287E+02 0.461E+02   -.920E+01 -.288E+02 -.457E+02   0.100E+00 0.641E-01 -.323E+00   -.252E-03 0.412E-03 -.267E-02
   0.336E+02 0.393E+01 0.318E+02   -.340E+02 -.424E+01 -.321E+02   0.329E+00 0.310E+00 0.267E+00   0.112E-02 0.353E-03 -.413E-02
   0.181E+02 -.105E+02 0.130E+02   -.181E+02 0.105E+02 -.127E+02   -.429E-02 0.248E-02 -.247E+00   0.140E-02 -.813E-03 0.738E-03
   0.408E+01 -.985E+00 0.175E+02   -.409E+01 0.100E+01 -.174E+02   0.302E-02 -.192E-01 -.797E-01   0.936E-03 0.133E-05 0.182E-02
   -.309E+01 0.319E+01 0.209E+02   0.309E+01 -.318E+01 -.209E+02   -.761E-02 -.288E-02 0.144E-01   0.685E-03 0.492E-03 0.993E-03
   -.187E+02 0.208E+02 0.229E+02   0.188E+02 -.208E+02 -.229E+02   -.100E+00 0.512E-01 0.120E-01   -.613E-03 0.534E-03 -.880E-03
   -.341E+02 0.197E+02 0.950E+01   0.353E+02 -.204E+02 -.118E+02   -.114E+01 0.659E+00 0.233E+01   -.408E-03 0.239E-03 -.530E-02
   0.134E+02 -.311E+02 0.318E+02   -.133E+02 0.315E+02 -.321E+02   -.104E+00 -.440E+00 0.267E+00   0.258E-03 -.115E-02 -.413E-02
   0.691E+01 -.128E+02 0.240E+02   -.689E+01 0.128E+02 -.241E+02   -.235E-01 0.706E-03 0.195E-01   0.127E-02 -.139E-02 0.655E-03
   -.831E+00 -.378E+01 0.221E+02   0.814E+00 0.378E+01 -.221E+02   0.163E-01 0.541E-02 0.212E-01   0.632E-03 -.749E-03 0.149E-02
   -.978E+01 0.565E+01 0.157E+02   0.973E+01 -.562E+01 -.158E+02   0.598E-01 -.345E-01 0.416E-01   -.225E-03 0.136E-03 0.181E-02
   -.273E+02 0.583E+01 0.229E+02   0.274E+02 -.589E+01 -.229E+02   -.945E-01 0.612E-01 0.120E-01   -.763E-03 0.269E-03 -.873E-03
   -.203E+02 -.223E+02 0.461E+02   0.203E+02 0.224E+02 -.457E+02   -.546E-02 -.119E+00 -.323E+00   -.477E-03 0.125E-04 -.266E-02
   -.289E+01 -.187E+02 0.370E+02   0.293E+01 0.187E+02 -.369E+02   -.321E-01 0.255E-01 -.201E-01   0.272E-03 -.145E-02 0.135E-03
   0.209E+01 -.121E+01 0.308E+02   -.204E+01 0.118E+01 -.308E+02   -.512E-01 0.296E-01 0.687E-02   0.474E-03 -.271E-03 0.300E-03
   0.286E+01 0.261E+01 0.221E+02   -.286E+01 -.259E+01 -.221E+02   0.347E-02 -.168E-01 0.212E-01   0.967E-03 -.165E-03 0.150E-02
   -.430E+01 0.108E+01 0.209E+02   0.430E+01 -.108E+01 -.209E+02   -.131E-02 0.804E-02 0.144E-01   -.809E-04 -.836E-03 0.101E-02
   -.117E+02 -.588E+01 0.251E+02   0.117E+02 0.590E+01 -.250E+02   0.527E-01 -.190E-01 -.120E+00   -.666E-03 -.313E-03 0.100E-02
   -.660E+01 -.653E+01 0.344E+02   0.657E+01 0.651E+01 -.343E+02   0.348E-01 0.104E-01 -.433E-01   -.696E-03 0.105E-03 0.409E-03
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.338E-03 -.640E+01   -.298E-12 -.149E-12 0.497E-13   0.763E-16 0.184E-15 0.643E+01   0.673E-08 0.117E-09 -.380E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85050      6.05571     12.41194         0.000000      0.000000      0.000907
      2.67793      7.48886     12.52356         0.000555      0.000960     -0.010157
      1.02307      4.62255     12.52356        -0.000555     -0.000960     -0.010157
     12.34180     -0.00145      9.87996        -0.001025      0.000592      0.000300
     -1.23333      2.13842      9.88523        -0.005745      0.005825     -0.000680
     -2.46942      4.27619      9.93375         0.002306     -0.001093     -0.001856
      8.63811      6.41093      9.94315         0.001477     -0.005141     -0.002594
     -4.93639      8.54976      9.91941         0.001086      0.000439     -0.001239
     -3.70286     10.68629      9.91941         0.000163     -0.001161     -0.001239
      1.23527      2.14020      9.92539        -0.001637     -0.007407      0.000676
     -0.00399      4.27848     10.00869         0.006373      0.007915      0.006466
     -1.23905      6.41038     10.03590         0.002424     -0.001240      0.003750
     -2.46660      8.54818      9.96805        -0.007675      0.004431     -0.005617
      4.93667     -0.00015      9.94315         0.005191      0.001291     -0.002594
      3.70252      2.13355      9.96198         0.001028      0.000483     -0.000163
      2.47216      4.25330     10.13018        -0.006673     -0.001379      0.001443
      1.21380      6.42330     10.35752        -0.003943      0.002277      0.007652
     -0.00144      8.55399     10.03590         0.002286     -0.001479      0.003750
      1.23165     10.68662      9.93375         0.002100     -0.001450     -0.001856
      6.17042      2.13584      9.94373         0.004845      0.003725     -0.000960
      4.93904      4.27254     10.02832        -0.003855      0.002226      0.000010
      3.72226      6.41853     10.13018        -0.002142      0.006469      0.001443
      2.46238      8.55035     10.00869        -0.003668     -0.009476      0.006466
      3.70105     10.68502      9.88523        -0.007917      0.002063     -0.000680
      8.63878      2.13649      9.90237        -0.000541      0.000312     -0.002329
      7.40516      4.27448      9.94373        -0.000803     -0.006058     -0.000960
      6.17320      6.41289      9.96198         0.000096     -0.001132     -0.000163
      4.93381      8.54626      9.92539         0.005596      0.005122      0.000676
     -0.00005      1.42639      9.88523         0.007917     -0.002063     -0.000680
     -1.23281      3.56515      9.92539        -0.005596     -0.005122      0.000676
     -2.47221      5.69852      9.96198        -0.000096      0.001132     -0.000163
     -3.70417      7.83693      9.94373         0.000803      0.006058     -0.000960
     -4.93778      9.97492      9.90237         0.000541     -0.000312     -0.002329
      2.46935      1.42479      9.93375        -0.002100      0.001450     -0.001856
      1.23862      3.56106     10.00869         0.003668      0.009476      0.006466
     -0.02127      5.69288     10.13018         0.002142     -0.006469      0.001443
     -1.23804      7.83887     10.02832         0.003855     -0.002226      0.000010
     -2.46942      9.97557      9.94373        -0.004845     -0.003725     -0.000960
      4.93692      1.42373      9.94315        -0.005191     -0.001291     -0.002594
      3.70243      3.55742     10.03590        -0.002286      0.001479      0.003750
      2.48719      5.68811     10.35752         0.003943     -0.002277      0.007652
      1.22883      7.85811     10.13018         0.006673      0.001379      0.001443
     -0.00153      9.97786      9.96198        -0.001028     -0.000483     -0.000163
      7.40386      1.42512      9.91941        -0.000163      0.001161     -0.001239
      6.16760      3.56323      9.96805         0.007675     -0.004431     -0.005617
      4.94004      5.70103     10.03590        -0.002424      0.001240      0.003750
      3.70498      7.83293     10.00869        -0.006373     -0.007915      0.006466
      2.46572      9.97121      9.92539         0.001637      0.007407      0.000676
      9.87403      1.42332      9.87996         0.001025     -0.000592      0.000300
      8.63739      3.56165      9.91941        -0.001086     -0.000439     -0.001239
      7.40512      5.69878      9.94315        -0.001477      0.005141     -0.002594
      6.17042      7.83523      9.93375        -0.002306      0.001093     -0.001856
      4.93433      9.97299      9.88523         0.005745     -0.005825     -0.000680
 -----------------------------------------------------------------------------------
    total drift:                               -0.001838      0.000338      0.023527


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000026  1 .order   -0.000026   -0.000028   -0.000023
  (g-gl).g = 0.188E-03      g.g   = 0.175E-03  gl.gl    = 0.104E-03
 g(Force)  = 0.155E-03   g(Stress)= 0.197E-04 ortho     =-0.160E-04
 gamma     =   1.81066
 trial     =   0.18964
 opt step  =   0.75857  (harmonic =   1.24785) maximal distance =0.00108975
 next E    =  -469.648796   (d E  =  -0.00009)


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


    WAVPRE:  VPU time    1.71: CPU time    1.71
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.19
    ORTHCH:  VPU time  183.79: CPU time   92.21
     LOOP+:  VPU time 5418.94: CPU time 2785.34


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


    POTLOK:  VPU time    9.22: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1840.20: CPU time  954.69
 BZINTS: Fermi energy: -3.242896;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.90: CPU time   57.16
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1962.88: CPU time 1021.46

 eigenvalue-minimisations  :  6096
 total energy-change (2. order) :-0.4696488E+03  (-0.1428466E-02)
 number of electron  212.0000051 magnetization    0.0000000
 augmentation part     7.9547295 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.21737E-02    rms(broyden)= 0.21709E-02
  rms(prec ) = 0.23246E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34273.29878824
  -1/2 Hartree   DENC   =    -41168.47057063
  -V(xc)+E(xc)   XCENC  =       726.33537334
  PAW double counting   =      4067.84714172    -4106.49995523
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.59939642
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64876538 eV

  energy without entropy =     -469.64876538  energy(sigma->0) =     -469.64876538


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




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


    POTLOK:  VPU time    9.18: CPU time    9.18
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1479.41: CPU time  766.78
 BZINTS: Fermi energy: -3.241894;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1488.99: CPU time  776.34

 eigenvalue-minimisations  :  4528
 total energy-change (2. order) :-0.3788391E-05  (-0.1724451E-04)
 number of electron  212.0000051 magnetization    0.0000000
 augmentation part     7.9547295 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34273.29878824
  -1/2 Hartree   DENC   =    -41168.44118923
  -V(xc)+E(xc)   XCENC  =       726.33356988
  PAW double counting   =      4067.79444701    -4106.44738186
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.62685681
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64876917 eV

  energy without entropy =     -469.64876917  energy(sigma->0) =     -469.64876917


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




 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 -59.0122       2 -37.4839       3 -37.4839       4 -58.3170       5 -58.2914
       6 -58.3039       7 -58.3023       8 -58.3108       9 -58.3107      10 -58.2847
      11 -58.3223      12 -58.2792      13 -58.3223      14 -58.3023      15 -58.3003
      16 -58.3966      17 -58.9692      18 -58.2792      19 -58.3039      20 -58.3065
      21 -58.2926      22 -58.3966      23 -58.3223      24 -58.2914      25 -58.3272
      26 -58.3065      27 -58.3003      28 -58.2848      29 -58.2913      30 -58.2846
      31 -58.3002      32 -58.3064      33 -58.3271      34 -58.3038      35 -58.3222
      36 -58.3965      37 -58.2926      38 -58.3064      39 -58.3022      40 -58.2791
      41 -58.9691      42 -58.3966      43 -58.3002      44 -58.3106      45 -58.3222
      46 -58.2791      47 -58.3222      48 -58.2846      49 -58.3169      50 -58.3106
      51 -58.3022      52 -58.3038      53 -58.2913
 
 
 
 E-fermi :  -3.2419     XC(G=0):  -2.3405     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     -22.3705      1.00000
      2     -21.5017      1.00000
      3     -21.4293      1.00000
      4     -21.4292      1.00000
      5     -21.4168      1.00000
      6     -21.4053      1.00000
      7     -21.4031      1.00000
      8     -19.6640      1.00000
      9     -19.5953      1.00000
     10     -19.5908      1.00000
     11     -19.5780      1.00000
     12     -19.5670      1.00000
     13     -19.5634      1.00000
     14     -18.7645      1.00000
     15     -18.7023      1.00000
     16     -18.6941      1.00000
     17     -18.6811      1.00000
     18     -18.6725      1.00000
     19     -18.6678      1.00000
     20     -16.6288      1.00000
     21     -16.5477      1.00000
     22     -16.5430      1.00000
     23     -16.5328      1.00000
     24     -16.5255      1.00000
     25     -16.5216      1.00000
     26     -15.6064      1.00000
     27     -15.5640      1.00000
     28     -15.5221      1.00000
     29     -15.5206      1.00000
     30     -15.5167      1.00000
     31     -15.5134      1.00000
     32     -14.2545      1.00000
     33     -14.2195      1.00000
     34     -14.1938      1.00000
     35     -14.1930      1.00000
     36     -14.1738      1.00000
     37     -14.1692      1.00000
     38     -11.9835      1.00000
     39     -11.8710      1.00000
     40     -11.8227      1.00000
     41     -11.8077      1.00000
     42     -11.8069      1.00000
     43     -11.8011      1.00000
     44     -11.7279      1.00000
     45     -11.7205      1.00000
     46     -11.7055      1.00000
     47     -11.6970      1.00000
     48     -11.6865      1.00000
     49     -11.6804      1.00000
     50     -10.6427      1.00000
     51     -10.3737      1.00000
     52     -10.3560      1.00000
     53     -10.3358      1.00000
     54     -10.3265      1.00000
     55     -10.3181      1.00000
     56     -10.2940      1.00000
     57      -9.7900      1.00000
     58      -9.4098      1.00000
     59      -9.3886      1.00000
     60      -9.3521      1.00000
     61      -9.3410      1.00000
     62      -9.3321      1.00000
     63      -9.1759      1.00000
     64      -9.0760      1.00000
     65      -9.0744      1.00000
     66      -9.0620      1.00000
     67      -9.0598      1.00000
     68      -9.0313      1.00000
     69      -9.0269      1.00000
     70      -9.0251      1.00000
     71      -9.0126      1.00000
     72      -9.0033      1.00000
     73      -8.9929      1.00000
     74      -8.9712      1.00000
     75      -7.9889      1.00000
     76      -7.6992      1.00000
     77      -7.5049      1.00000
     78      -7.4851      1.00000
     79      -7.4585      1.00000
     80      -7.4114      1.00000
     81      -7.3957      1.00000
     82      -7.3764      1.00000
     83      -7.3468      1.00000
     84      -7.2226      1.00000
     85      -7.1813      1.00000
     86      -7.1764      1.00000
     87      -7.1723      1.00000
     88      -6.6141      1.00000
     89      -6.5766      1.00000
     90      -6.3649      1.00000
     91      -6.3556      1.00000
     92      -6.3160      1.00000
     93      -6.2920      1.00000
     94      -5.9428      1.00000
     95      -5.8919      1.00000
     96      -5.3624      1.00000
     97      -5.1907      1.00000
     98      -4.8384      1.00000
     99      -4.7172      1.00000
    100      -4.3644      1.00000
    101      -4.3568      1.00000
    102      -4.3457      1.00000
    103      -4.3334      1.00000
    104      -4.1679      1.00000
    105      -3.9325      1.00000
    106      -3.5962      1.00000
    107      -2.9194      0.00000
    108      -1.5524      0.00000
    109      -1.5485      0.00000
    110      -1.5363      0.00000
    111      -1.5362      0.00000
    112      -1.4787      0.00000
    113      -1.4620      0.00000
    114       0.0774      0.00000
    115       0.2373      0.00000
    116       0.2817      0.00000
    117       0.3027      0.00000
    118       0.3074      0.00000
    119       0.3746      0.00000
    120       0.6184      0.00000
    121       1.2692      0.00000
    122       1.3782      0.00000
    123       1.7054      0.00000
    124       1.7579      0.00000
    125       1.7881      0.00000
    126       1.7937      0.00000
    127       1.8560      0.00000
    128       1.8747      0.00000
    129       2.0021      0.00000
    130       2.0051      0.00000
    131       2.0175      0.00000
    132       2.0233      0.00000
    133       2.0242      0.00000
    134       2.0901      0.00000
    135       2.3214      0.00000
    136       2.4671      0.00000
    137       2.5778      0.00000
    138       2.6125      0.00000
    139       2.6499      0.00000
    140       2.7404      0.00000
    141       2.8651      0.00000
    142       3.0409      0.00000
    143       3.0756      0.00000
    144       3.0853      0.00000
    145       3.0893      0.00000
    146       3.0907      0.00000
    147       3.0925      0.00000
    148       3.4565      0.00000
    149       3.5471      0.00000
    150       3.5959      0.00000
    151       3.9429      0.00000
    152       3.9481      0.00000
    153       3.9654      0.00000
    154       3.9686      0.00000
    155       3.9816      0.00000
    156       4.0561      0.00000
    157       4.1611      0.00000
    158       4.2086      0.00000
    159       4.2610      0.00000
    160       4.2748      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3330      1.00000
      2     -21.7704      1.00000
      3     -21.5959      1.00000
      4     -21.5657      1.00000
      5     -21.2205      1.00000
      6     -21.1930      1.00000
      7     -21.0191      1.00000
      8     -20.1180      1.00000
      9     -20.0861      1.00000
     10     -19.5708      1.00000
     11     -19.5433      1.00000
     12     -19.3769      1.00000
     13     -19.0488      1.00000
     14     -19.0179      1.00000
     15     -19.0038      1.00000
     16     -18.9930      1.00000
     17     -18.3270      1.00000
     18     -18.3024      1.00000
     19     -17.9802      1.00000
     20     -17.0339      1.00000
     21     -16.9830      1.00000
     22     -16.9169      1.00000
     23     -16.8970      1.00000
     24     -16.4359      1.00000
     25     -16.4137      1.00000
     26     -15.5886      1.00000
     27     -15.5561      1.00000
     28     -15.2341      1.00000
     29     -15.1943      1.00000
     30     -15.1310      1.00000
     31     -15.0567      1.00000
     32     -15.0280      1.00000
     33     -14.6679      1.00000
     34     -14.6492      1.00000
     35     -13.7049      1.00000
     36     -13.6790      1.00000
     37     -13.2008      1.00000
     38     -12.5971      1.00000
     39     -12.5400      1.00000
     40     -12.4183      1.00000
     41     -12.4022      1.00000
     42     -12.1092      1.00000
     43     -12.0673      1.00000
     44     -11.6949      1.00000
     45     -11.6457      1.00000
     46     -11.2328      1.00000
     47     -11.1890      1.00000
     48     -11.0067      1.00000
     49     -10.9703      1.00000
     50     -10.9082      1.00000
     51     -10.8646      1.00000
     52     -10.5288      1.00000
     53     -10.1270      1.00000
     54     -10.1216      1.00000
     55     -10.0796      1.00000
     56      -9.9176      1.00000
     57      -9.7060      1.00000
     58      -9.6692      1.00000
     59      -9.6108      1.00000
     60      -9.5816      1.00000
     61      -9.5422      1.00000
     62      -9.4785      1.00000
     63      -9.2946      1.00000
     64      -9.2755      1.00000
     65      -9.2277      1.00000
     66      -9.1743      1.00000
     67      -9.1094      1.00000
     68      -9.0749      1.00000
     69      -9.0638      1.00000
     70      -8.9043      1.00000
     71      -8.8445      1.00000
     72      -8.6014      1.00000
     73      -8.5653      1.00000
     74      -8.1226      1.00000
     75      -8.0438      1.00000
     76      -7.9499      1.00000
     77      -7.8291      1.00000
     78      -7.7913      1.00000
     79      -7.7283      1.00000
     80      -7.6918      1.00000
     81      -7.3477      1.00000
     82      -7.3336      1.00000
     83      -7.3259      1.00000
     84      -7.2689      1.00000
     85      -7.0650      1.00000
     86      -6.9805      1.00000
     87      -6.8247      1.00000
     88      -6.7496      1.00000
     89      -6.6418      1.00000
     90      -6.5632      1.00000
     91      -6.1374      1.00000
     92      -6.1040      1.00000
     93      -6.0923      1.00000
     94      -5.9650      1.00000
     95      -5.7335      1.00000
     96      -5.3980      1.00000
     97      -5.2057      1.00000
     98      -4.9382      1.00000
     99      -4.7996      1.00000
    100      -4.6372      1.00000
    101      -4.5376      1.00000
    102      -4.4860      1.00000
    103      -4.3649      1.00000
    104      -4.0442      1.00000
    105      -3.8139      1.00000
    106      -3.5732      1.00000
    107      -2.9415      0.00000
    108      -1.7180      0.00000
    109      -1.6748      0.00000
    110      -1.2926      0.00000
    111      -1.2712      0.00000
    112      -1.2446      0.00000
    113      -1.2123      0.00000
    114      -0.5595      0.00000
    115      -0.1902      0.00000
    116      -0.1694      0.00000
    117       0.6312      0.00000
    118       0.6801      0.00000
    119       0.7272      0.00000
    120       0.9865      0.00000
    121       1.1175      0.00000
    122       1.2414      0.00000
    123       1.3455      0.00000
    124       1.4530      0.00000
    125       1.4999      0.00000
    126       1.7460      0.00000
    127       1.7683      0.00000
    128       1.8011      0.00000
    129       1.8584      0.00000
    130       1.9523      0.00000
    131       2.1763      0.00000
    132       2.2170      0.00000
    133       2.2750      0.00000
    134       2.4315      0.00000
    135       2.5098      0.00000
    136       2.6233      0.00000
    137       2.6947      0.00000
    138       2.6993      0.00000
    139       2.7857      0.00000
    140       2.8146      0.00000
    141       2.8588      0.00000
    142       2.8609      0.00000
    143       3.0000      0.00000
    144       3.0761      0.00000
    145       3.2849      0.00000
    146       3.3672      0.00000
    147       3.3760      0.00000
    148       3.4468      0.00000
    149       3.5368      0.00000
    150       3.6070      0.00000
    151       3.6602      0.00000
    152       3.7313      0.00000
    153       3.7720      0.00000
    154       3.9400      0.00000
    155       3.9646      0.00000
    156       4.0534      0.00000
    157       4.0927      0.00000
    158       4.1739      0.00000
    159       4.2526      0.00000
    160       4.2774      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2213      1.00000
      2     -22.0299      1.00000
      3     -21.6703      1.00000
      4     -21.6406      1.00000
      5     -20.9267      1.00000
      6     -20.8961      1.00000
      7     -20.5664      1.00000
      8     -20.5316      1.00000
      9     -20.5229      1.00000
     10     -19.9902      1.00000
     11     -19.4651      1.00000
     12     -19.4355      1.00000
     13     -19.2733      1.00000
     14     -19.2527      1.00000
     15     -18.4046      1.00000
     16     -18.3670      1.00000
     17     -17.8944      1.00000
     18     -17.8637      1.00000
     19     -17.7161      1.00000
     20     -17.6818      1.00000
     21     -17.4072      1.00000
     22     -17.3818      1.00000
     23     -17.3040      1.00000
     24     -16.4312      1.00000
     25     -16.4111      1.00000
     26     -15.9165      1.00000
     27     -15.3877      1.00000
     28     -15.3582      1.00000
     29     -15.0714      1.00000
     30     -15.0444      1.00000
     31     -14.8367      1.00000
     32     -14.8024      1.00000
     33     -14.2525      1.00000
     34     -14.2146      1.00000
     35     -13.4108      1.00000
     36     -13.3608      1.00000
     37     -13.1590      1.00000
     38     -13.1296      1.00000
     39     -12.9351      1.00000
     40     -12.9253      1.00000
     41     -12.6016      1.00000
     42     -12.5693      1.00000
     43     -12.1687      1.00000
     44     -11.5621      1.00000
     45     -11.5016      1.00000
     46     -11.2995      1.00000
     47     -11.2484      1.00000
     48     -11.1203      1.00000
     49     -10.6800      1.00000
     50     -10.6321      1.00000
     51     -10.4467      1.00000
     52     -10.2867      1.00000
     53     -10.2741      1.00000
     54     -10.1589      1.00000
     55     -10.0833      1.00000
     56     -10.0696      1.00000
     57      -9.7877      1.00000
     58      -9.7385      1.00000
     59      -9.6937      1.00000
     60      -9.6724      1.00000
     61      -9.6595      1.00000
     62      -9.5969      1.00000
     63      -9.3368      1.00000
     64      -9.3203      1.00000
     65      -9.2854      1.00000
     66      -9.0282      1.00000
     67      -8.9321      1.00000
     68      -8.8412      1.00000
     69      -8.7605      1.00000
     70      -8.5907      1.00000
     71      -8.4943      1.00000
     72      -8.3693      1.00000
     73      -8.3629      1.00000
     74      -8.3027      1.00000
     75      -8.2432      1.00000
     76      -8.2420      1.00000
     77      -8.2219      1.00000
     78      -8.1949      1.00000
     79      -7.8746      1.00000
     80      -7.7442      1.00000
     81      -7.3700      1.00000
     82      -7.3144      1.00000
     83      -7.2985      1.00000
     84      -7.2063      1.00000
     85      -7.1794      1.00000
     86      -6.9486      1.00000
     87      -6.9302      1.00000
     88      -6.5920      1.00000
     89      -6.5384      1.00000
     90      -6.2639      1.00000
     91      -6.2013      1.00000
     92      -5.9810      1.00000
     93      -5.8147      1.00000
     94      -5.6683      1.00000
     95      -5.5137      1.00000
     96      -5.3297      1.00000
     97      -5.3049      1.00000
     98      -5.1916      1.00000
     99      -5.1896      1.00000
    100      -5.1057      1.00000
    101      -4.6900      1.00000
    102      -4.5508      1.00000
    103      -4.4527      1.00000
    104      -3.9141      1.00000
    105      -3.7074      1.00000
    106      -3.5382      1.00000
    107      -2.9638      0.00000
    108      -1.8166      0.00000
    109      -1.7612      0.00000
    110      -1.0851      0.00000
    111      -0.9705      0.00000
    112      -0.9410      0.00000
    113      -0.6469      0.00000
    114      -0.6041      0.00000
    115      -0.5682      0.00000
    116      -0.5307      0.00000
    117       0.1762      0.00000
    118       0.2575      0.00000
    119       0.7937      0.00000
    120       1.0094      0.00000
    121       1.1170      0.00000
    122       1.1689      0.00000
    123       1.3588      0.00000
    124       1.4844      0.00000
    125       1.5927      0.00000
    126       1.5969      0.00000
    127       1.6956      0.00000
    128       1.9158      0.00000
    129       1.9557      0.00000
    130       2.0372      0.00000
    131       2.1972      0.00000
    132       2.3463      0.00000
    133       2.3912      0.00000
    134       2.4171      0.00000
    135       2.6054      0.00000
    136       2.6907      0.00000
    137       2.7482      0.00000
    138       2.7830      0.00000
    139       2.8525      0.00000
    140       3.0097      0.00000
    141       3.0575      0.00000
    142       3.0963      0.00000
    143       3.1442      0.00000
    144       3.2691      0.00000
    145       3.3332      0.00000
    146       3.4030      0.00000
    147       3.4712      0.00000
    148       3.5467      0.00000
    149       3.5875      0.00000
    150       3.6077      0.00000
    151       3.6880      0.00000
    152       3.7151      0.00000
    153       3.7777      0.00000
    154       3.7953      0.00000
    155       3.8023      0.00000
    156       3.9488      0.00000
    157       3.9610      0.00000
    158       4.0452      0.00000
    159       4.2009      0.00000
    160       4.2641      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2583      1.00000
      2     -21.8864      1.00000
      3     -21.8748      1.00000
      4     -21.3258      1.00000
      5     -21.3133      1.00000
      6     -20.7693      1.00000
      7     -20.7555      1.00000
      8     -20.5775      1.00000
      9     -20.0287      1.00000
     10     -20.0262      1.00000
     11     -19.6709      1.00000
     12     -19.6558      1.00000
     13     -18.9473      1.00000
     14     -18.9472      1.00000
     15     -18.5921      1.00000
     16     -18.5911      1.00000
     17     -18.4173      1.00000
     18     -17.6419      1.00000
     19     -17.5863      1.00000
     20     -17.5644      1.00000
     21     -17.5602      1.00000
     22     -17.0731      1.00000
     23     -17.0709      1.00000
     24     -16.9188      1.00000
     25     -15.9524      1.00000
     26     -15.9029      1.00000
     27     -15.5471      1.00000
     28     -15.5302      1.00000
     29     -15.2674      1.00000
     30     -14.8166      1.00000
     31     -14.7931      1.00000
     32     -14.5398      1.00000
     33     -14.5102      1.00000
     34     -14.1296      1.00000
     35     -14.1266      1.00000
     36     -13.1039      1.00000
     37     -13.0405      1.00000
     38     -13.0181      1.00000
     39     -12.9860      1.00000
     40     -12.6754      1.00000
     41     -12.6735      1.00000
     42     -12.2863      1.00000
     43     -12.2805      1.00000
     44     -11.6519      1.00000
     45     -11.5980      1.00000
     46     -11.5382      1.00000
     47     -10.9386      1.00000
     48     -10.8904      1.00000
     49     -10.6365      1.00000
     50     -10.5964      1.00000
     51     -10.4739      1.00000
     52     -10.4628      1.00000
     53     -10.4054      1.00000
     54     -10.4022      1.00000
     55     -10.3145      1.00000
     56     -10.0385      1.00000
     57      -9.8752      1.00000
     58      -9.5846      1.00000
     59      -9.5218      1.00000
     60      -9.5015      1.00000
     61      -9.3770      1.00000
     62      -9.3707      1.00000
     63      -9.3400      1.00000
     64      -9.2936      1.00000
     65      -9.2404      1.00000
     66      -9.1694      1.00000
     67      -9.1253      1.00000
     68      -9.0814      1.00000
     69      -8.8435      1.00000
     70      -8.8230      1.00000
     71      -8.6805      1.00000
     72      -8.5739      1.00000
     73      -8.4184      1.00000
     74      -8.1982      1.00000
     75      -8.1513      1.00000
     76      -7.9743      1.00000
     77      -7.8824      1.00000
     78      -7.8197      1.00000
     79      -7.7926      1.00000
     80      -7.7652      1.00000
     81      -7.6756      1.00000
     82      -7.6202      1.00000
     83      -7.4092      1.00000
     84      -7.3497      1.00000
     85      -6.8985      1.00000
     86      -6.8901      1.00000
     87      -6.7314      1.00000
     88      -6.6460      1.00000
     89      -6.4085      1.00000
     90      -6.3302      1.00000
     91      -6.2877      1.00000
     92      -6.1827      1.00000
     93      -5.9714      1.00000
     94      -5.5798      1.00000
     95      -5.4786      1.00000
     96      -5.4111      1.00000
     97      -5.3703      1.00000
     98      -5.1937      1.00000
     99      -5.1046      1.00000
    100      -4.7526      1.00000
    101      -4.7029      1.00000
    102      -4.5706      1.00000
    103      -4.4207      1.00000
    104      -4.2012      1.00000
    105      -3.5568      1.00000
    106      -3.3944      1.00000
    107      -3.0469      0.00000
    108      -2.1016      0.00000
    109      -1.2440      0.00000
    110      -1.2038      0.00000
    111      -1.1746      0.00000
    112      -0.9318      0.00000
    113      -0.8326      0.00000
    114      -0.7839      0.00000
    115      -0.7010      0.00000
    116       0.1972      0.00000
    117       0.2032      0.00000
    118       0.3068      0.00000
    119       0.7722      0.00000
    120       0.8235      0.00000
    121       0.9132      0.00000
    122       1.1235      0.00000
    123       1.3312      0.00000
    124       1.5099      0.00000
    125       1.5916      0.00000
    126       1.8090      0.00000
    127       1.8364      0.00000
    128       1.8800      0.00000
    129       1.9709      0.00000
    130       1.9970      0.00000
    131       2.2569      0.00000
    132       2.4013      0.00000
    133       2.4309      0.00000
    134       2.4456      0.00000
    135       2.5575      0.00000
    136       2.5927      0.00000
    137       2.6330      0.00000
    138       2.7224      0.00000
    139       2.7347      0.00000
    140       2.9667      0.00000
    141       3.0652      0.00000
    142       3.1350      0.00000
    143       3.2025      0.00000
    144       3.2450      0.00000
    145       3.2501      0.00000
    146       3.3131      0.00000
    147       3.3579      0.00000
    148       3.5263      0.00000
    149       3.5265      0.00000
    150       3.6282      0.00000
    151       3.6983      0.00000
    152       3.7551      0.00000
    153       3.8143      0.00000
    154       3.9309      0.00000
    155       3.9889      0.00000
    156       4.0037      0.00000
    157       4.0045      0.00000
    158       4.0308      0.00000
    159       4.0335      0.00000
    160       4.1462      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1263      1.00000
      2     -22.0880      1.00000
      3     -21.9168      1.00000
      4     -21.3574      1.00000
      5     -21.0028      1.00000
      6     -20.9666      1.00000
      7     -20.4512      1.00000
      8     -20.4130      1.00000
      9     -20.2601      1.00000
     10     -20.2299      1.00000
     11     -19.8990      1.00000
     12     -19.8615      1.00000
     13     -18.8263      1.00000
     14     -18.7829      1.00000
     15     -18.3106      1.00000
     16     -18.2599      1.00000
     17     -18.1202      1.00000
     18     -18.0905      1.00000
     19     -17.7843      1.00000
     20     -17.7450      1.00000
     21     -17.2247      1.00000
     22     -17.1927      1.00000
     23     -17.1314      1.00000
     24     -17.0923      1.00000
     25     -16.0567      1.00000
     26     -15.8581      1.00000
     27     -15.8207      1.00000
     28     -15.7877      1.00000
     29     -15.2080      1.00000
     30     -14.5292      1.00000
     31     -14.4832      1.00000
     32     -14.2523      1.00000
     33     -13.9289      1.00000
     34     -13.9168      1.00000
     35     -13.7910      1.00000
     36     -13.7616      1.00000
     37     -13.5813      1.00000
     38     -13.5327      1.00000
     39     -13.3217      1.00000
     40     -12.5834      1.00000
     41     -12.1745      1.00000
     42     -12.0997      1.00000
     43     -12.0336      1.00000
     44     -11.9888      1.00000
     45     -11.6554      1.00000
     46     -11.6205      1.00000
     47     -11.1370      1.00000
     48     -11.0821      1.00000
     49     -10.7795      1.00000
     50     -10.7033      1.00000
     51     -10.4031      1.00000
     52     -10.1920      1.00000
     53     -10.1665      1.00000
     54     -10.1257      1.00000
     55      -9.9932      1.00000
     56      -9.9815      1.00000
     57      -9.9396      1.00000
     58      -9.7933      1.00000
     59      -9.7700      1.00000
     60      -9.7404      1.00000
     61      -9.7202      1.00000
     62      -9.4363      1.00000
     63      -9.3346      1.00000
     64      -9.0881      1.00000
     65      -9.0438      1.00000
     66      -9.0016      1.00000
     67      -8.8907      1.00000
     68      -8.8244      1.00000
     69      -8.7074      1.00000
     70      -8.6648      1.00000
     71      -8.5659      1.00000
     72      -8.5060      1.00000
     73      -8.4710      1.00000
     74      -8.4368      1.00000
     75      -8.3315      1.00000
     76      -8.1974      1.00000
     77      -8.0660      1.00000
     78      -7.9798      1.00000
     79      -7.9078      1.00000
     80      -7.8797      1.00000
     81      -7.6946      1.00000
     82      -7.5610      1.00000
     83      -7.4922      1.00000
     84      -6.9783      1.00000
     85      -6.9089      1.00000
     86      -6.8588      1.00000
     87      -6.7404      1.00000
     88      -6.5196      1.00000
     89      -6.4672      1.00000
     90      -6.3781      1.00000
     91      -6.1923      1.00000
     92      -5.9287      1.00000
     93      -5.7953      1.00000
     94      -5.7497      1.00000
     95      -5.5566      1.00000
     96      -5.3750      1.00000
     97      -5.2430      1.00000
     98      -5.1952      1.00000
     99      -5.1812      1.00000
    100      -5.1203      1.00000
    101      -4.8091      1.00000
    102      -4.5405      1.00000
    103      -4.4590      1.00000
    104      -4.2454      1.00000
    105      -3.5578      1.00000
    106      -3.2887      1.00000
    107      -2.9369      0.00000
    108      -2.3424      0.00000
    109      -1.1822      0.00000
    110      -1.1633      0.00000
    111      -1.1133      0.00000
    112      -1.0584      0.00000
    113      -0.5027      0.00000
    114      -0.4559      0.00000
    115      -0.2963      0.00000
    116      -0.2720      0.00000
    117       0.0012      0.00000
    118       0.0359      0.00000
    119       0.5328      0.00000
    120       0.6435      0.00000
    121       0.8881      0.00000
    122       0.9847      0.00000
    123       1.1921      0.00000
    124       1.5400      0.00000
    125       1.7723      0.00000
    126       1.7919      0.00000
    127       2.0070      0.00000
    128       2.1314      0.00000
    129       2.1414      0.00000
    130       2.1516      0.00000
    131       2.2676      0.00000
    132       2.3138      0.00000
    133       2.3675      0.00000
    134       2.4652      0.00000
    135       2.6698      0.00000
    136       2.7555      0.00000
    137       2.8001      0.00000
    138       2.8807      0.00000
    139       2.9731      0.00000
    140       3.0156      0.00000
    141       3.0676      0.00000
    142       3.1223      0.00000
    143       3.1704      0.00000
    144       3.2475      0.00000
    145       3.2720      0.00000
    146       3.3037      0.00000
    147       3.3314      0.00000
    148       3.3524      0.00000
    149       3.4171      0.00000
    150       3.5451      0.00000
    151       3.6353      0.00000
    152       3.6814      0.00000
    153       3.7085      0.00000
    154       3.7164      0.00000
    155       3.7393      0.00000
    156       3.7976      0.00000
    157       3.9709      0.00000
    158       4.0705      0.00000
    159       4.1512      0.00000
    160       4.2770      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2579      1.00000
      2     -21.8995      1.00000
      3     -21.8617      1.00000
      4     -21.3373      1.00000
      5     -21.3013      1.00000
      6     -20.7813      1.00000
      7     -20.7434      1.00000
      8     -20.5771      1.00000
      9     -20.0464      1.00000
     10     -20.0108      1.00000
     11     -19.6799      1.00000
     12     -19.6446      1.00000
     13     -18.9672      1.00000
     14     -18.9297      1.00000
     15     -18.6118      1.00000
     16     -18.5741      1.00000
     17     -18.4164      1.00000
     18     -17.6316      1.00000
     19     -17.5859      1.00000
     20     -17.5652      1.00000
     21     -17.5481      1.00000
     22     -17.0972      1.00000
     23     -17.0546      1.00000
     24     -16.9375      1.00000
     25     -15.9806      1.00000
     26     -15.8691      1.00000
     27     -15.5660      1.00000
     28     -15.5272      1.00000
     29     -15.2307      1.00000
     30     -14.8484      1.00000
     31     -14.7905      1.00000
     32     -14.5368      1.00000
     33     -14.4994      1.00000
     34     -14.1281      1.00000
     35     -14.1157      1.00000
     36     -13.1553      1.00000
     37     -13.0483      1.00000
     38     -12.9952      1.00000
     39     -12.9753      1.00000
     40     -12.6985      1.00000
     41     -12.6533      1.00000
     42     -12.2963      1.00000
     43     -12.2781      1.00000
     44     -11.6188      1.00000
     45     -11.5858      1.00000
     46     -11.5252      1.00000
     47     -10.9216      1.00000
     48     -10.8960      1.00000
     49     -10.7112      1.00000
     50     -10.5651      1.00000
     51     -10.5336      1.00000
     52     -10.4657      1.00000
     53     -10.4244      1.00000
     54     -10.3656      1.00000
     55     -10.3139      1.00000
     56     -10.0335      1.00000
     57      -9.8693      1.00000
     58      -9.6004      1.00000
     59      -9.5212      1.00000
     60      -9.4530      1.00000
     61      -9.4035      1.00000
     62      -9.3711      1.00000
     63      -9.3404      1.00000
     64      -9.2966      1.00000
     65      -9.2449      1.00000
     66      -9.1340      1.00000
     67      -9.0876      1.00000
     68      -9.0709      1.00000
     69      -8.8500      1.00000
     70      -8.8326      1.00000
     71      -8.7022      1.00000
     72      -8.5592      1.00000
     73      -8.4368      1.00000
     74      -8.1969      1.00000
     75      -8.1698      1.00000
     76      -8.0389      1.00000
     77      -7.8663      1.00000
     78      -7.8026      1.00000
     79      -7.7693      1.00000
     80      -7.7172      1.00000
     81      -7.6784      1.00000
     82      -7.6406      1.00000
     83      -7.4464      1.00000
     84      -7.3071      1.00000
     85      -6.9173      1.00000
     86      -6.8882      1.00000
     87      -6.7759      1.00000
     88      -6.5568      1.00000
     89      -6.3874      1.00000
     90      -6.3222      1.00000
     91      -6.2773      1.00000
     92      -6.1694      1.00000
     93      -6.0670      1.00000
     94      -5.7829      1.00000
     95      -5.5310      1.00000
     96      -5.3556      1.00000
     97      -5.2030      1.00000
     98      -5.1761      1.00000
     99      -5.0295      1.00000
    100      -4.8133      1.00000
    101      -4.6689      1.00000
    102      -4.4939      1.00000
    103      -4.4323      1.00000
    104      -4.2367      1.00000
    105      -3.6314      1.00000
    106      -3.5489      1.00000
    107      -2.8425      0.00000
    108      -2.1346      0.00000
    109      -1.2452      0.00000
    110      -1.1883      0.00000
    111      -1.1773      0.00000
    112      -0.8844      0.00000
    113      -0.8667      0.00000
    114      -0.7853      0.00000
    115      -0.7522      0.00000
    116       0.1438      0.00000
    117       0.2449      0.00000
    118       0.3173      0.00000
    119       0.7246      0.00000
    120       0.8590      0.00000
    121       0.9374      0.00000
    122       1.1690      0.00000
    123       1.2655      0.00000
    124       1.5229      0.00000
    125       1.5899      0.00000
    126       1.7993      0.00000
    127       1.8855      0.00000
    128       1.8949      0.00000
    129       1.9749      0.00000
    130       2.0563      0.00000
    131       2.2284      0.00000
    132       2.3460      0.00000
    133       2.4376      0.00000
    134       2.4523      0.00000
    135       2.5775      0.00000
    136       2.6080      0.00000
    137       2.6644      0.00000
    138       2.7223      0.00000
    139       2.7657      0.00000
    140       2.9053      0.00000
    141       3.0530      0.00000
    142       3.1506      0.00000
    143       3.2070      0.00000
    144       3.2337      0.00000
    145       3.2482      0.00000
    146       3.2881      0.00000
    147       3.3549      0.00000
    148       3.4482      0.00000
    149       3.5581      0.00000
    150       3.6126      0.00000
    151       3.6964      0.00000
    152       3.7300      0.00000
    153       3.8651      0.00000
    154       3.9067      0.00000
    155       3.9422      0.00000
    156       3.9685      0.00000
    157       4.0237      0.00000
    158       4.0285      0.00000
    159       4.0417      0.00000
    160       4.0871      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3328      1.00000
      2     -21.7724      1.00000
      3     -21.5916      1.00000
      4     -21.5673      1.00000
      5     -21.2224      1.00000
      6     -21.1933      1.00000
      7     -21.0176      1.00000
      8     -20.1179      1.00000
      9     -20.0864      1.00000
     10     -19.5758      1.00000
     11     -19.5414      1.00000
     12     -19.3715      1.00000
     13     -19.0600      1.00000
     14     -19.0193      1.00000
     15     -19.0024      1.00000
     16     -18.9846      1.00000
     17     -18.3325      1.00000
     18     -18.3013      1.00000
     19     -17.9723      1.00000
     20     -17.0223      1.00000
     21     -16.9810      1.00000
     22     -16.9244      1.00000
     23     -16.8986      1.00000
     24     -16.4541      1.00000
     25     -16.4190      1.00000
     26     -15.5752      1.00000
     27     -15.5468      1.00000
     28     -15.2031      1.00000
     29     -15.1806      1.00000
     30     -15.1613      1.00000
     31     -15.0819      1.00000
     32     -15.0280      1.00000
     33     -14.6693      1.00000
     34     -14.6428      1.00000
     35     -13.7030      1.00000
     36     -13.6709      1.00000
     37     -13.2059      1.00000
     38     -12.6385      1.00000
     39     -12.5376      1.00000
     40     -12.4250      1.00000
     41     -12.4024      1.00000
     42     -12.0729      1.00000
     43     -12.0518      1.00000
     44     -11.6771      1.00000
     45     -11.6448      1.00000
     46     -11.2866      1.00000
     47     -11.1844      1.00000
     48     -10.9947      1.00000
     49     -10.9629      1.00000
     50     -10.8880      1.00000
     51     -10.8554      1.00000
     52     -10.5612      1.00000
     53     -10.2051      1.00000
     54     -10.1153      1.00000
     55     -10.0580      1.00000
     56      -9.8890      1.00000
     57      -9.6618      1.00000
     58      -9.6613      1.00000
     59      -9.6255      1.00000
     60      -9.5999      1.00000
     61      -9.5323      1.00000
     62      -9.4730      1.00000
     63      -9.3118      1.00000
     64      -9.2634      1.00000
     65      -9.2211      1.00000
     66      -9.1925      1.00000
     67      -9.0942      1.00000
     68      -9.0899      1.00000
     69      -9.0676      1.00000
     70      -8.9019      1.00000
     71      -8.8383      1.00000
     72      -8.5729      1.00000
     73      -8.5590      1.00000
     74      -8.1702      1.00000
     75      -8.0103      1.00000
     76      -7.9480      1.00000
     77      -7.8826      1.00000
     78      -7.7762      1.00000
     79      -7.7269      1.00000
     80      -7.7122      1.00000
     81      -7.4012      1.00000
     82      -7.2809      1.00000
     83      -7.2439      1.00000
     84      -7.2175      1.00000
     85      -7.1528      1.00000
     86      -6.9679      1.00000
     87      -6.8567      1.00000
     88      -6.6930      1.00000
     89      -6.6614      1.00000
     90      -6.5845      1.00000
     91      -6.1588      1.00000
     92      -6.0860      1.00000
     93      -6.0720      1.00000
     94      -5.9088      1.00000
     95      -5.8814      1.00000
     96      -5.3766      1.00000
     97      -5.1888      1.00000
     98      -4.8718      1.00000
     99      -4.8565      1.00000
    100      -4.6458      1.00000
    101      -4.5246      1.00000
    102      -4.3906      1.00000
    103      -4.2660      1.00000
    104      -4.0637      1.00000
    105      -4.0386      1.00000
    106      -3.5675      1.00000
    107      -2.8638      0.00000
    108      -1.7035      0.00000
    109      -1.6979      0.00000
    110      -1.3065      0.00000
    111      -1.2602      0.00000
    112      -1.2295      0.00000
    113      -1.2280      0.00000
    114      -0.5657      0.00000
    115      -0.2538      0.00000
    116      -0.1139      0.00000
    117       0.5863      0.00000
    118       0.6773      0.00000
    119       0.8090      0.00000
    120       0.9587      0.00000
    121       1.1408      0.00000
    122       1.2060      0.00000
    123       1.2851      0.00000
    124       1.4620      0.00000
    125       1.6240      0.00000
    126       1.6917      0.00000
    127       1.7803      0.00000
    128       1.7861      0.00000
    129       1.9127      0.00000
    130       1.9410      0.00000
    131       2.1865      0.00000
    132       2.1993      0.00000
    133       2.2427      0.00000
    134       2.4752      0.00000
    135       2.5149      0.00000
    136       2.6090      0.00000
    137       2.6414      0.00000
    138       2.7103      0.00000
    139       2.8322      0.00000
    140       2.8410      0.00000
    141       2.8616      0.00000
    142       2.9636      0.00000
    143       2.9852      0.00000
    144       3.0316      0.00000
    145       3.1535      0.00000
    146       3.3598      0.00000
    147       3.3850      0.00000
    148       3.4313      0.00000
    149       3.5948      0.00000
    150       3.6277      0.00000
    151       3.6396      0.00000
    152       3.6843      0.00000
    153       3.8006      0.00000
    154       3.8165      0.00000
    155       4.0189      0.00000
    156       4.0377      0.00000
    157       4.0620      0.00000
    158       4.1414      0.00000
    159       4.2478      0.00000
    160       4.3620      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1158      1.00000
      2     -22.1005      1.00000
      3     -21.9148      1.00000
      4     -21.3576      1.00000
      5     -20.9909      1.00000
      6     -20.9787      1.00000
      7     -20.4395      1.00000
      8     -20.4252      1.00000
      9     -20.2458      1.00000
     10     -20.2441      1.00000
     11     -19.8866      1.00000
     12     -19.8736      1.00000
     13     -18.8207      1.00000
     14     -18.7949      1.00000
     15     -18.2826      1.00000
     16     -18.2759      1.00000
     17     -18.1115      1.00000
     18     -18.1047      1.00000
     19     -17.7646      1.00000
     20     -17.7595      1.00000
     21     -17.2286      1.00000
     22     -17.2006      1.00000
     23     -17.1135      1.00000
     24     -17.0984      1.00000
     25     -16.0902      1.00000
     26     -15.8310      1.00000
     27     -15.8207      1.00000
     28     -15.8045      1.00000
     29     -15.1820      1.00000
     30     -14.5111      1.00000
     31     -14.4972      1.00000
     32     -14.2272      1.00000
     33     -13.9618      1.00000
     34     -13.9248      1.00000
     35     -13.7877      1.00000
     36     -13.7766      1.00000
     37     -13.5585      1.00000
     38     -13.5386      1.00000
     39     -13.3282      1.00000
     40     -12.6090      1.00000
     41     -12.1292      1.00000
     42     -12.1174      1.00000
     43     -12.0058      1.00000
     44     -11.9893      1.00000
     45     -11.6505      1.00000
     46     -11.6350      1.00000
     47     -11.1385      1.00000
     48     -11.1013      1.00000
     49     -10.7590      1.00000
     50     -10.7017      1.00000
     51     -10.4406      1.00000
     52     -10.1715      1.00000
     53     -10.1642      1.00000
     54     -10.1479      1.00000
     55     -10.0012      1.00000
     56      -9.9625      1.00000
     57      -9.9356      1.00000
     58      -9.8127      1.00000
     59      -9.7634      1.00000
     60      -9.7422      1.00000
     61      -9.7275      1.00000
     62      -9.4316      1.00000
     63      -9.3314      1.00000
     64      -9.0761      1.00000
     65      -9.0393      1.00000
     66      -8.9678      1.00000
     67      -8.9398      1.00000
     68      -8.7999      1.00000
     69      -8.6815      1.00000
     70      -8.6655      1.00000
     71      -8.5470      1.00000
     72      -8.5141      1.00000
     73      -8.4429      1.00000
     74      -8.4364      1.00000
     75      -8.2991      1.00000
     76      -8.2302      1.00000
     77      -8.1102      1.00000
     78      -8.0477      1.00000
     79      -8.0229      1.00000
     80      -7.7880      1.00000
     81      -7.6005      1.00000
     82      -7.5917      1.00000
     83      -7.4603      1.00000
     84      -7.0008      1.00000
     85      -6.9474      1.00000
     86      -6.8605      1.00000
     87      -6.5737      1.00000
     88      -6.5408      1.00000
     89      -6.4595      1.00000
     90      -6.4060      1.00000
     91      -6.3303      1.00000
     92      -5.9842      1.00000
     93      -5.7681      1.00000
     94      -5.7266      1.00000
     95      -5.5592      1.00000
     96      -5.3781      1.00000
     97      -5.2036      1.00000
     98      -5.1978      1.00000
     99      -5.1767      1.00000
    100      -5.1553      1.00000
    101      -4.6483      1.00000
    102      -4.5025      1.00000
    103      -4.4434      1.00000
    104      -4.3851      1.00000
    105      -3.5742      1.00000
    106      -3.4305      1.00000
    107      -2.7312      0.00000
    108      -2.4073      0.00000
    109      -1.1650      0.00000
    110      -1.1557      0.00000
    111      -1.1463      0.00000
    112      -1.0513      0.00000
    113      -0.4880      0.00000
    114      -0.4773      0.00000
    115      -0.3227      0.00000
    116      -0.2464      0.00000
    117       0.0068      0.00000
    118       0.0090      0.00000
    119       0.5230      0.00000
    120       0.6649      0.00000
    121       0.8255      0.00000
    122       1.0092      0.00000
    123       1.2482      0.00000
    124       1.5117      0.00000
    125       1.7705      0.00000
    126       1.9615      0.00000
    127       1.9686      0.00000
    128       2.0322      0.00000
    129       2.1274      0.00000
    130       2.1797      0.00000
    131       2.2901      0.00000
    132       2.2957      0.00000
    133       2.3700      0.00000
    134       2.5634      0.00000
    135       2.6385      0.00000
    136       2.6907      0.00000
    137       2.8553      0.00000
    138       2.8953      0.00000
    139       2.9688      0.00000
    140       3.0113      0.00000
    141       3.1383      0.00000
    142       3.1492      0.00000
    143       3.1522      0.00000
    144       3.1876      0.00000
    145       3.2501      0.00000
    146       3.2556      0.00000
    147       3.3420      0.00000
    148       3.3546      0.00000
    149       3.4318      0.00000
    150       3.4445      0.00000
    151       3.5232      0.00000
    152       3.6507      0.00000
    153       3.6961      0.00000
    154       3.7178      0.00000
    155       3.8470      0.00000
    156       3.9184      0.00000
    157       3.9755      0.00000
    158       4.0070      0.00000
    159       4.1294      0.00000
    160       4.2208      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2202      1.00000
      2     -22.0323      1.00000
      3     -21.6673      1.00000
      4     -21.6420      1.00000
      5     -20.9267      1.00000
      6     -20.8965      1.00000
      7     -20.5570      1.00000
      8     -20.5370      1.00000
      9     -20.5265      1.00000
     10     -19.9900      1.00000
     11     -19.4657      1.00000
     12     -19.4329      1.00000
     13     -19.2802      1.00000
     14     -19.2525      1.00000
     15     -18.3981      1.00000
     16     -18.3665      1.00000
     17     -17.8965      1.00000
     18     -17.8641      1.00000
     19     -17.7135      1.00000
     20     -17.6795      1.00000
     21     -17.4116      1.00000
     22     -17.3806      1.00000
     23     -17.2930      1.00000
     24     -16.4533      1.00000
     25     -16.4141      1.00000
     26     -15.9346      1.00000
     27     -15.3783      1.00000
     28     -15.3506      1.00000
     29     -15.0668      1.00000
     30     -15.0373      1.00000
     31     -14.8091      1.00000
     32     -14.7873      1.00000
     33     -14.2846      1.00000
     34     -14.2132      1.00000
     35     -13.4418      1.00000
     36     -13.3590      1.00000
     37     -13.1516      1.00000
     38     -13.1201      1.00000
     39     -12.9594      1.00000
     40     -12.9290      1.00000
     41     -12.5855      1.00000
     42     -12.5585      1.00000
     43     -12.1720      1.00000
     44     -11.5345      1.00000
     45     -11.4983      1.00000
     46     -11.2733      1.00000
     47     -11.2443      1.00000
     48     -11.1291      1.00000
     49     -10.7655      1.00000
     50     -10.6254      1.00000
     51     -10.4487      1.00000
     52     -10.2802      1.00000
     53     -10.2731      1.00000
     54     -10.1650      1.00000
     55     -10.0884      1.00000
     56     -10.0558      1.00000
     57      -9.8035      1.00000
     58      -9.7027      1.00000
     59      -9.6895      1.00000
     60      -9.6817      1.00000
     61      -9.6690      1.00000
     62      -9.6032      1.00000
     63      -9.3427      1.00000
     64      -9.3150      1.00000
     65      -9.2869      1.00000
     66      -8.9674      1.00000
     67      -8.9276      1.00000
     68      -8.8781      1.00000
     69      -8.7464      1.00000
     70      -8.5600      1.00000
     71      -8.4820      1.00000
     72      -8.3988      1.00000
     73      -8.3589      1.00000
     74      -8.2849      1.00000
     75      -8.2389      1.00000
     76      -8.2238      1.00000
     77      -8.2096      1.00000
     78      -8.1929      1.00000
     79      -7.9959      1.00000
     80      -7.7782      1.00000
     81      -7.4127      1.00000
     82      -7.3161      1.00000
     83      -7.2377      1.00000
     84      -7.1388      1.00000
     85      -7.0944      1.00000
     86      -6.9554      1.00000
     87      -6.9079      1.00000
     88      -6.5847      1.00000
     89      -6.5562      1.00000
     90      -6.4345      1.00000
     91      -6.2474      1.00000
     92      -5.9024      1.00000
     93      -5.8220      1.00000
     94      -5.6737      1.00000
     95      -5.5830      1.00000
     96      -5.2936      1.00000
     97      -5.2593      1.00000
     98      -5.1827      1.00000
     99      -5.1821      1.00000
    100      -5.1593      1.00000
    101      -4.5234      1.00000
    102      -4.4565      1.00000
    103      -4.3982      1.00000
    104      -4.0752      1.00000
    105      -3.9272      1.00000
    106      -3.5203      1.00000
    107      -2.8132      0.00000
    108      -1.8040      0.00000
    109      -1.7924      0.00000
    110      -1.0765      0.00000
    111      -1.0096      0.00000
    112      -0.9259      0.00000
    113      -0.6542      0.00000
    114      -0.6047      0.00000
    115      -0.5689      0.00000
    116      -0.5273      0.00000
    117       0.1605      0.00000
    118       0.2639      0.00000
    119       0.7154      0.00000
    120       0.9769      0.00000
    121       1.0973      0.00000
    122       1.2567      0.00000
    123       1.4315      0.00000
    124       1.5371      0.00000
    125       1.6057      0.00000
    126       1.6394      0.00000
    127       1.6496      0.00000
    128       1.8509      0.00000
    129       1.9400      0.00000
    130       2.1230      0.00000
    131       2.2216      0.00000
    132       2.3520      0.00000
    133       2.3748      0.00000
    134       2.4727      0.00000
    135       2.6077      0.00000
    136       2.6666      0.00000
    137       2.7500      0.00000
    138       2.7533      0.00000
    139       2.8665      0.00000
    140       2.9725      0.00000
    141       3.0661      0.00000
    142       3.0786      0.00000
    143       3.1957      0.00000
    144       3.2959      0.00000
    145       3.3403      0.00000
    146       3.3555      0.00000
    147       3.4928      0.00000
    148       3.5357      0.00000
    149       3.5674      0.00000
    150       3.6042      0.00000
    151       3.6254      0.00000
    152       3.7006      0.00000
    153       3.7437      0.00000
    154       3.7887      0.00000
    155       3.7933      0.00000
    156       3.8624      0.00000
    157       3.9374      0.00000
    158       4.0277      0.00000
    159       4.0473      0.00000
    160       4.2955      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3705      1.00000
      2     -21.5017      1.00000
      3     -21.4293      1.00000
      4     -21.4292      1.00000
      5     -21.4168      1.00000
      6     -21.4053      1.00000
      7     -21.4031      1.00000
      8     -19.6640      1.00000
      9     -19.5953      1.00000
     10     -19.5908      1.00000
     11     -19.5780      1.00000
     12     -19.5670      1.00000
     13     -19.5634      1.00000
     14     -18.7645      1.00000
     15     -18.7023      1.00000
     16     -18.6941      1.00000
     17     -18.6811      1.00000
     18     -18.6725      1.00000
     19     -18.6678      1.00000
     20     -16.6288      1.00000
     21     -16.5477      1.00000
     22     -16.5430      1.00000
     23     -16.5328      1.00000
     24     -16.5255      1.00000
     25     -16.5216      1.00000
     26     -15.6064      1.00000
     27     -15.5640      1.00000
     28     -15.5221      1.00000
     29     -15.5206      1.00000
     30     -15.5167      1.00000
     31     -15.5134      1.00000
     32     -14.2545      1.00000
     33     -14.2195      1.00000
     34     -14.1938      1.00000
     35     -14.1930      1.00000
     36     -14.1738      1.00000
     37     -14.1692      1.00000
     38     -11.9835      1.00000
     39     -11.8710      1.00000
     40     -11.8227      1.00000
     41     -11.8077      1.00000
     42     -11.8069      1.00000
     43     -11.8011      1.00000
     44     -11.7279      1.00000
     45     -11.7205      1.00000
     46     -11.7055      1.00000
     47     -11.6970      1.00000
     48     -11.6865      1.00000
     49     -11.6804      1.00000
     50     -10.6427      1.00000
     51     -10.3737      1.00000
     52     -10.3560      1.00000
     53     -10.3358      1.00000
     54     -10.3265      1.00000
     55     -10.3181      1.00000
     56     -10.2940      1.00000
     57      -9.7900      1.00000
     58      -9.4098      1.00000
     59      -9.3886      1.00000
     60      -9.3521      1.00000
     61      -9.3410      1.00000
     62      -9.3321      1.00000
     63      -9.1759      1.00000
     64      -9.0760      1.00000
     65      -9.0744      1.00000
     66      -9.0620      1.00000
     67      -9.0598      1.00000
     68      -9.0313      1.00000
     69      -9.0269      1.00000
     70      -9.0251      1.00000
     71      -9.0126      1.00000
     72      -9.0033      1.00000
     73      -8.9929      1.00000
     74      -8.9712      1.00000
     75      -7.9889      1.00000
     76      -7.6992      1.00000
     77      -7.5049      1.00000
     78      -7.4851      1.00000
     79      -7.4585      1.00000
     80      -7.4114      1.00000
     81      -7.3957      1.00000
     82      -7.3764      1.00000
     83      -7.3468      1.00000
     84      -7.2226      1.00000
     85      -7.1813      1.00000
     86      -7.1764      1.00000
     87      -7.1723      1.00000
     88      -6.6141      1.00000
     89      -6.5766      1.00000
     90      -6.3649      1.00000
     91      -6.3556      1.00000
     92      -6.3160      1.00000
     93      -6.2920      1.00000
     94      -5.9428      1.00000
     95      -5.8919      1.00000
     96      -5.3624      1.00000
     97      -5.1907      1.00000
     98      -4.8384      1.00000
     99      -4.7172      1.00000
    100      -4.3644      1.00000
    101      -4.3568      1.00000
    102      -4.3457      1.00000
    103      -4.3334      1.00000
    104      -4.1679      1.00000
    105      -3.9325      1.00000
    106      -3.5962      1.00000
    107      -2.9194      0.00000
    108      -1.5524      0.00000
    109      -1.5485      0.00000
    110      -1.5363      0.00000
    111      -1.5362      0.00000
    112      -1.4787      0.00000
    113      -1.4620      0.00000
    114       0.0774      0.00000
    115       0.2373      0.00000
    116       0.2817      0.00000
    117       0.3027      0.00000
    118       0.3074      0.00000
    119       0.3746      0.00000
    120       0.6184      0.00000
    121       1.2692      0.00000
    122       1.3782      0.00000
    123       1.7053      0.00000
    124       1.7579      0.00000
    125       1.7881      0.00000
    126       1.7937      0.00000
    127       1.8560      0.00000
    128       1.8747      0.00000
    129       2.0021      0.00000
    130       2.0051      0.00000
    131       2.0175      0.00000
    132       2.0233      0.00000
    133       2.0242      0.00000
    134       2.0901      0.00000
    135       2.3214      0.00000
    136       2.4671      0.00000
    137       2.5778      0.00000
    138       2.6125      0.00000
    139       2.6499      0.00000
    140       2.7404      0.00000
    141       2.8651      0.00000
    142       3.0409      0.00000
    143       3.0756      0.00000
    144       3.0853      0.00000
    145       3.0893      0.00000
    146       3.0907      0.00000
    147       3.0925      0.00000
    148       3.4565      0.00000
    149       3.5471      0.00000
    150       3.5959      0.00000
    151       3.9429      0.00000
    152       3.9481      0.00000
    153       3.9654      0.00000
    154       3.9686      0.00000
    155       3.9816      0.00000
    156       4.0561      0.00000
    157       4.1611      0.00000
    158       4.2086      0.00000
    159       4.2610      0.00000
    160       4.2748      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3330      1.00000
      2     -21.7704      1.00000
      3     -21.5959      1.00000
      4     -21.5657      1.00000
      5     -21.2205      1.00000
      6     -21.1930      1.00000
      7     -21.0191      1.00000
      8     -20.1180      1.00000
      9     -20.0861      1.00000
     10     -19.5708      1.00000
     11     -19.5433      1.00000
     12     -19.3769      1.00000
     13     -19.0488      1.00000
     14     -19.0179      1.00000
     15     -19.0038      1.00000
     16     -18.9930      1.00000
     17     -18.3270      1.00000
     18     -18.3024      1.00000
     19     -17.9802      1.00000
     20     -17.0339      1.00000
     21     -16.9830      1.00000
     22     -16.9169      1.00000
     23     -16.8970      1.00000
     24     -16.4359      1.00000
     25     -16.4137      1.00000
     26     -15.5886      1.00000
     27     -15.5561      1.00000
     28     -15.2341      1.00000
     29     -15.1943      1.00000
     30     -15.1310      1.00000
     31     -15.0567      1.00000
     32     -15.0280      1.00000
     33     -14.6679      1.00000
     34     -14.6492      1.00000
     35     -13.7049      1.00000
     36     -13.6790      1.00000
     37     -13.2008      1.00000
     38     -12.5971      1.00000
     39     -12.5400      1.00000
     40     -12.4183      1.00000
     41     -12.4022      1.00000
     42     -12.1092      1.00000
     43     -12.0673      1.00000
     44     -11.6949      1.00000
     45     -11.6457      1.00000
     46     -11.2328      1.00000
     47     -11.1890      1.00000
     48     -11.0067      1.00000
     49     -10.9703      1.00000
     50     -10.9082      1.00000
     51     -10.8646      1.00000
     52     -10.5288      1.00000
     53     -10.1270      1.00000
     54     -10.1216      1.00000
     55     -10.0796      1.00000
     56      -9.9176      1.00000
     57      -9.7060      1.00000
     58      -9.6692      1.00000
     59      -9.6108      1.00000
     60      -9.5816      1.00000
     61      -9.5422      1.00000
     62      -9.4785      1.00000
     63      -9.2946      1.00000
     64      -9.2755      1.00000
     65      -9.2277      1.00000
     66      -9.1743      1.00000
     67      -9.1094      1.00000
     68      -9.0749      1.00000
     69      -9.0638      1.00000
     70      -8.9043      1.00000
     71      -8.8445      1.00000
     72      -8.6014      1.00000
     73      -8.5653      1.00000
     74      -8.1226      1.00000
     75      -8.0438      1.00000
     76      -7.9499      1.00000
     77      -7.8291      1.00000
     78      -7.7913      1.00000
     79      -7.7283      1.00000
     80      -7.6918      1.00000
     81      -7.3477      1.00000
     82      -7.3336      1.00000
     83      -7.3259      1.00000
     84      -7.2689      1.00000
     85      -7.0650      1.00000
     86      -6.9805      1.00000
     87      -6.8247      1.00000
     88      -6.7496      1.00000
     89      -6.6418      1.00000
     90      -6.5632      1.00000
     91      -6.1374      1.00000
     92      -6.1040      1.00000
     93      -6.0923      1.00000
     94      -5.9650      1.00000
     95      -5.7335      1.00000
     96      -5.3980      1.00000
     97      -5.2057      1.00000
     98      -4.9382      1.00000
     99      -4.7996      1.00000
    100      -4.6372      1.00000
    101      -4.5376      1.00000
    102      -4.4860      1.00000
    103      -4.3649      1.00000
    104      -4.0442      1.00000
    105      -3.8139      1.00000
    106      -3.5732      1.00000
    107      -2.9415      0.00000
    108      -1.7180      0.00000
    109      -1.6748      0.00000
    110      -1.2926      0.00000
    111      -1.2712      0.00000
    112      -1.2446      0.00000
    113      -1.2123      0.00000
    114      -0.5595      0.00000
    115      -0.1902      0.00000
    116      -0.1694      0.00000
    117       0.6312      0.00000
    118       0.6801      0.00000
    119       0.7272      0.00000
    120       0.9865      0.00000
    121       1.1175      0.00000
    122       1.2414      0.00000
    123       1.3455      0.00000
    124       1.4530      0.00000
    125       1.4999      0.00000
    126       1.7460      0.00000
    127       1.7683      0.00000
    128       1.8011      0.00000
    129       1.8584      0.00000
    130       1.9523      0.00000
    131       2.1763      0.00000
    132       2.2170      0.00000
    133       2.2750      0.00000
    134       2.4315      0.00000
    135       2.5098      0.00000
    136       2.6233      0.00000
    137       2.6947      0.00000
    138       2.6993      0.00000
    139       2.7857      0.00000
    140       2.8146      0.00000
    141       2.8588      0.00000
    142       2.8609      0.00000
    143       3.0000      0.00000
    144       3.0761      0.00000
    145       3.2849      0.00000
    146       3.3672      0.00000
    147       3.3760      0.00000
    148       3.4468      0.00000
    149       3.5368      0.00000
    150       3.6070      0.00000
    151       3.6601      0.00000
    152       3.7312      0.00000
    153       3.7720      0.00000
    154       3.9400      0.00000
    155       3.9646      0.00000
    156       4.0534      0.00000
    157       4.0927      0.00000
    158       4.1739      0.00000
    159       4.2526      0.00000
    160       4.2774      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2213      1.00000
      2     -22.0299      1.00000
      3     -21.6703      1.00000
      4     -21.6406      1.00000
      5     -20.9267      1.00000
      6     -20.8961      1.00000
      7     -20.5664      1.00000
      8     -20.5316      1.00000
      9     -20.5229      1.00000
     10     -19.9902      1.00000
     11     -19.4651      1.00000
     12     -19.4355      1.00000
     13     -19.2733      1.00000
     14     -19.2527      1.00000
     15     -18.4046      1.00000
     16     -18.3670      1.00000
     17     -17.8944      1.00000
     18     -17.8637      1.00000
     19     -17.7161      1.00000
     20     -17.6818      1.00000
     21     -17.4072      1.00000
     22     -17.3818      1.00000
     23     -17.3040      1.00000
     24     -16.4312      1.00000
     25     -16.4111      1.00000
     26     -15.9165      1.00000
     27     -15.3877      1.00000
     28     -15.3582      1.00000
     29     -15.0714      1.00000
     30     -15.0444      1.00000
     31     -14.8367      1.00000
     32     -14.8024      1.00000
     33     -14.2525      1.00000
     34     -14.2146      1.00000
     35     -13.4108      1.00000
     36     -13.3608      1.00000
     37     -13.1590      1.00000
     38     -13.1296      1.00000
     39     -12.9351      1.00000
     40     -12.9253      1.00000
     41     -12.6016      1.00000
     42     -12.5693      1.00000
     43     -12.1687      1.00000
     44     -11.5621      1.00000
     45     -11.5016      1.00000
     46     -11.2995      1.00000
     47     -11.2484      1.00000
     48     -11.1203      1.00000
     49     -10.6800      1.00000
     50     -10.6321      1.00000
     51     -10.4467      1.00000
     52     -10.2867      1.00000
     53     -10.2741      1.00000
     54     -10.1589      1.00000
     55     -10.0833      1.00000
     56     -10.0696      1.00000
     57      -9.7877      1.00000
     58      -9.7385      1.00000
     59      -9.6937      1.00000
     60      -9.6724      1.00000
     61      -9.6595      1.00000
     62      -9.5969      1.00000
     63      -9.3368      1.00000
     64      -9.3203      1.00000
     65      -9.2854      1.00000
     66      -9.0282      1.00000
     67      -8.9321      1.00000
     68      -8.8412      1.00000
     69      -8.7605      1.00000
     70      -8.5907      1.00000
     71      -8.4943      1.00000
     72      -8.3693      1.00000
     73      -8.3629      1.00000
     74      -8.3027      1.00000
     75      -8.2432      1.00000
     76      -8.2420      1.00000
     77      -8.2219      1.00000
     78      -8.1949      1.00000
     79      -7.8746      1.00000
     80      -7.7442      1.00000
     81      -7.3700      1.00000
     82      -7.3144      1.00000
     83      -7.2985      1.00000
     84      -7.2063      1.00000
     85      -7.1794      1.00000
     86      -6.9486      1.00000
     87      -6.9302      1.00000
     88      -6.5920      1.00000
     89      -6.5384      1.00000
     90      -6.2639      1.00000
     91      -6.2013      1.00000
     92      -5.9810      1.00000
     93      -5.8147      1.00000
     94      -5.6683      1.00000
     95      -5.5137      1.00000
     96      -5.3297      1.00000
     97      -5.3049      1.00000
     98      -5.1916      1.00000
     99      -5.1896      1.00000
    100      -5.1057      1.00000
    101      -4.6900      1.00000
    102      -4.5508      1.00000
    103      -4.4527      1.00000
    104      -3.9141      1.00000
    105      -3.7074      1.00000
    106      -3.5382      1.00000
    107      -2.9638      0.00000
    108      -1.8166      0.00000
    109      -1.7612      0.00000
    110      -1.0851      0.00000
    111      -0.9705      0.00000
    112      -0.9410      0.00000
    113      -0.6469      0.00000
    114      -0.6041      0.00000
    115      -0.5682      0.00000
    116      -0.5307      0.00000
    117       0.1762      0.00000
    118       0.2575      0.00000
    119       0.7937      0.00000
    120       1.0094      0.00000
    121       1.1170      0.00000
    122       1.1689      0.00000
    123       1.3588      0.00000
    124       1.4844      0.00000
    125       1.5927      0.00000
    126       1.5969      0.00000
    127       1.6956      0.00000
    128       1.9158      0.00000
    129       1.9557      0.00000
    130       2.0372      0.00000
    131       2.1971      0.00000
    132       2.3463      0.00000
    133       2.3912      0.00000
    134       2.4171      0.00000
    135       2.6054      0.00000
    136       2.6907      0.00000
    137       2.7482      0.00000
    138       2.7829      0.00000
    139       2.8525      0.00000
    140       3.0097      0.00000
    141       3.0575      0.00000
    142       3.0962      0.00000
    143       3.1442      0.00000
    144       3.2691      0.00000
    145       3.3331      0.00000
    146       3.4030      0.00000
    147       3.4712      0.00000
    148       3.5467      0.00000
    149       3.5875      0.00000
    150       3.6077      0.00000
    151       3.6880      0.00000
    152       3.7151      0.00000
    153       3.7777      0.00000
    154       3.7953      0.00000
    155       3.8023      0.00000
    156       3.9488      0.00000
    157       3.9610      0.00000
    158       4.0452      0.00000
    159       4.2009      0.00000
    160       4.2619      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2583      1.00000
      2     -21.8864      1.00000
      3     -21.8748      1.00000
      4     -21.3258      1.00000
      5     -21.3133      1.00000
      6     -20.7693      1.00000
      7     -20.7555      1.00000
      8     -20.5775      1.00000
      9     -20.0287      1.00000
     10     -20.0262      1.00000
     11     -19.6709      1.00000
     12     -19.6558      1.00000
     13     -18.9473      1.00000
     14     -18.9472      1.00000
     15     -18.5921      1.00000
     16     -18.5911      1.00000
     17     -18.4173      1.00000
     18     -17.6419      1.00000
     19     -17.5863      1.00000
     20     -17.5644      1.00000
     21     -17.5602      1.00000
     22     -17.0731      1.00000
     23     -17.0709      1.00000
     24     -16.9188      1.00000
     25     -15.9524      1.00000
     26     -15.9029      1.00000
     27     -15.5471      1.00000
     28     -15.5302      1.00000
     29     -15.2674      1.00000
     30     -14.8166      1.00000
     31     -14.7931      1.00000
     32     -14.5398      1.00000
     33     -14.5102      1.00000
     34     -14.1296      1.00000
     35     -14.1266      1.00000
     36     -13.1039      1.00000
     37     -13.0405      1.00000
     38     -13.0181      1.00000
     39     -12.9860      1.00000
     40     -12.6754      1.00000
     41     -12.6735      1.00000
     42     -12.2863      1.00000
     43     -12.2805      1.00000
     44     -11.6519      1.00000
     45     -11.5980      1.00000
     46     -11.5382      1.00000
     47     -10.9386      1.00000
     48     -10.8904      1.00000
     49     -10.6365      1.00000
     50     -10.5964      1.00000
     51     -10.4739      1.00000
     52     -10.4628      1.00000
     53     -10.4054      1.00000
     54     -10.4022      1.00000
     55     -10.3145      1.00000
     56     -10.0385      1.00000
     57      -9.8752      1.00000
     58      -9.5846      1.00000
     59      -9.5218      1.00000
     60      -9.5015      1.00000
     61      -9.3770      1.00000
     62      -9.3707      1.00000
     63      -9.3400      1.00000
     64      -9.2936      1.00000
     65      -9.2404      1.00000
     66      -9.1694      1.00000
     67      -9.1253      1.00000
     68      -9.0814      1.00000
     69      -8.8435      1.00000
     70      -8.8230      1.00000
     71      -8.6805      1.00000
     72      -8.5739      1.00000
     73      -8.4184      1.00000
     74      -8.1982      1.00000
     75      -8.1513      1.00000
     76      -7.9743      1.00000
     77      -7.8824      1.00000
     78      -7.8197      1.00000
     79      -7.7926      1.00000
     80      -7.7652      1.00000
     81      -7.6756      1.00000
     82      -7.6202      1.00000
     83      -7.4092      1.00000
     84      -7.3497      1.00000
     85      -6.8985      1.00000
     86      -6.8901      1.00000
     87      -6.7314      1.00000
     88      -6.6460      1.00000
     89      -6.4085      1.00000
     90      -6.3302      1.00000
     91      -6.2877      1.00000
     92      -6.1827      1.00000
     93      -5.9714      1.00000
     94      -5.5798      1.00000
     95      -5.4786      1.00000
     96      -5.4111      1.00000
     97      -5.3703      1.00000
     98      -5.1937      1.00000
     99      -5.1046      1.00000
    100      -4.7526      1.00000
    101      -4.7029      1.00000
    102      -4.5706      1.00000
    103      -4.4207      1.00000
    104      -4.2012      1.00000
    105      -3.5568      1.00000
    106      -3.3944      1.00000
    107      -3.0469      0.00000
    108      -2.1016      0.00000
    109      -1.2440      0.00000
    110      -1.2038      0.00000
    111      -1.1746      0.00000
    112      -0.9318      0.00000
    113      -0.8326      0.00000
    114      -0.7839      0.00000
    115      -0.7010      0.00000
    116       0.1972      0.00000
    117       0.2032      0.00000
    118       0.3068      0.00000
    119       0.7722      0.00000
    120       0.8235      0.00000
    121       0.9132      0.00000
    122       1.1235      0.00000
    123       1.3312      0.00000
    124       1.5099      0.00000
    125       1.5916      0.00000
    126       1.8090      0.00000
    127       1.8364      0.00000
    128       1.8800      0.00000
    129       1.9709      0.00000
    130       1.9970      0.00000
    131       2.2569      0.00000
    132       2.4013      0.00000
    133       2.4309      0.00000
    134       2.4456      0.00000
    135       2.5575      0.00000
    136       2.5927      0.00000
    137       2.6330      0.00000
    138       2.7224      0.00000
    139       2.7347      0.00000
    140       2.9667      0.00000
    141       3.0652      0.00000
    142       3.1350      0.00000
    143       3.2024      0.00000
    144       3.2449      0.00000
    145       3.2501      0.00000
    146       3.3131      0.00000
    147       3.3579      0.00000
    148       3.5263      0.00000
    149       3.5265      0.00000
    150       3.6282      0.00000
    151       3.6983      0.00000
    152       3.7551      0.00000
    153       3.8143      0.00000
    154       3.9309      0.00000
    155       3.9889      0.00000
    156       4.0037      0.00000
    157       4.0045      0.00000
    158       4.0308      0.00000
    159       4.0335      0.00000
    160       4.1461      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1263      1.00000
      2     -22.0880      1.00000
      3     -21.9168      1.00000
      4     -21.3574      1.00000
      5     -21.0028      1.00000
      6     -20.9666      1.00000
      7     -20.4512      1.00000
      8     -20.4130      1.00000
      9     -20.2601      1.00000
     10     -20.2299      1.00000
     11     -19.8990      1.00000
     12     -19.8615      1.00000
     13     -18.8263      1.00000
     14     -18.7829      1.00000
     15     -18.3106      1.00000
     16     -18.2599      1.00000
     17     -18.1202      1.00000
     18     -18.0905      1.00000
     19     -17.7843      1.00000
     20     -17.7450      1.00000
     21     -17.2247      1.00000
     22     -17.1927      1.00000
     23     -17.1314      1.00000
     24     -17.0923      1.00000
     25     -16.0567      1.00000
     26     -15.8581      1.00000
     27     -15.8207      1.00000
     28     -15.7877      1.00000
     29     -15.2080      1.00000
     30     -14.5292      1.00000
     31     -14.4832      1.00000
     32     -14.2523      1.00000
     33     -13.9289      1.00000
     34     -13.9168      1.00000
     35     -13.7910      1.00000
     36     -13.7616      1.00000
     37     -13.5813      1.00000
     38     -13.5327      1.00000
     39     -13.3217      1.00000
     40     -12.5834      1.00000
     41     -12.1745      1.00000
     42     -12.0997      1.00000
     43     -12.0336      1.00000
     44     -11.9888      1.00000
     45     -11.6554      1.00000
     46     -11.6205      1.00000
     47     -11.1370      1.00000
     48     -11.0821      1.00000
     49     -10.7795      1.00000
     50     -10.7033      1.00000
     51     -10.4031      1.00000
     52     -10.1920      1.00000
     53     -10.1665      1.00000
     54     -10.1257      1.00000
     55      -9.9932      1.00000
     56      -9.9815      1.00000
     57      -9.9396      1.00000
     58      -9.7933      1.00000
     59      -9.7700      1.00000
     60      -9.7404      1.00000
     61      -9.7202      1.00000
     62      -9.4363      1.00000
     63      -9.3346      1.00000
     64      -9.0881      1.00000
     65      -9.0438      1.00000
     66      -9.0016      1.00000
     67      -8.8907      1.00000
     68      -8.8244      1.00000
     69      -8.7074      1.00000
     70      -8.6648      1.00000
     71      -8.5659      1.00000
     72      -8.5060      1.00000
     73      -8.4710      1.00000
     74      -8.4368      1.00000
     75      -8.3315      1.00000
     76      -8.1974      1.00000
     77      -8.0660      1.00000
     78      -7.9798      1.00000
     79      -7.9078      1.00000
     80      -7.8797      1.00000
     81      -7.6946      1.00000
     82      -7.5610      1.00000
     83      -7.4922      1.00000
     84      -6.9783      1.00000
     85      -6.9089      1.00000
     86      -6.8588      1.00000
     87      -6.7404      1.00000
     88      -6.5196      1.00000
     89      -6.4672      1.00000
     90      -6.3781      1.00000
     91      -6.1923      1.00000
     92      -5.9287      1.00000
     93      -5.7953      1.00000
     94      -5.7497      1.00000
     95      -5.5566      1.00000
     96      -5.3750      1.00000
     97      -5.2430      1.00000
     98      -5.1952      1.00000
     99      -5.1812      1.00000
    100      -5.1203      1.00000
    101      -4.8091      1.00000
    102      -4.5405      1.00000
    103      -4.4590      1.00000
    104      -4.2454      1.00000
    105      -3.5578      1.00000
    106      -3.2887      1.00000
    107      -2.9369      0.00000
    108      -2.3424      0.00000
    109      -1.1822      0.00000
    110      -1.1633      0.00000
    111      -1.1133      0.00000
    112      -1.0584      0.00000
    113      -0.5027      0.00000
    114      -0.4559      0.00000
    115      -0.2963      0.00000
    116      -0.2720      0.00000
    117       0.0012      0.00000
    118       0.0359      0.00000
    119       0.5328      0.00000
    120       0.6435      0.00000
    121       0.8881      0.00000
    122       0.9847      0.00000
    123       1.1921      0.00000
    124       1.5400      0.00000
    125       1.7723      0.00000
    126       1.7919      0.00000
    127       2.0070      0.00000
    128       2.1314      0.00000
    129       2.1414      0.00000
    130       2.1516      0.00000
    131       2.2676      0.00000
    132       2.3138      0.00000
    133       2.3675      0.00000
    134       2.4652      0.00000
    135       2.6698      0.00000
    136       2.7555      0.00000
    137       2.8001      0.00000
    138       2.8807      0.00000
    139       2.9731      0.00000
    140       3.0155      0.00000
    141       3.0676      0.00000
    142       3.1223      0.00000
    143       3.1704      0.00000
    144       3.2475      0.00000
    145       3.2720      0.00000
    146       3.3037      0.00000
    147       3.3314      0.00000
    148       3.3524      0.00000
    149       3.4171      0.00000
    150       3.5451      0.00000
    151       3.6352      0.00000
    152       3.6814      0.00000
    153       3.7085      0.00000
    154       3.7164      0.00000
    155       3.7393      0.00000
    156       3.7976      0.00000
    157       3.9709      0.00000
    158       4.0705      0.00000
    159       4.1512      0.00000
    160       4.2769      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2579      1.00000
      2     -21.8995      1.00000
      3     -21.8617      1.00000
      4     -21.3373      1.00000
      5     -21.3013      1.00000
      6     -20.7813      1.00000
      7     -20.7434      1.00000
      8     -20.5771      1.00000
      9     -20.0464      1.00000
     10     -20.0108      1.00000
     11     -19.6799      1.00000
     12     -19.6446      1.00000
     13     -18.9672      1.00000
     14     -18.9297      1.00000
     15     -18.6118      1.00000
     16     -18.5741      1.00000
     17     -18.4164      1.00000
     18     -17.6316      1.00000
     19     -17.5859      1.00000
     20     -17.5652      1.00000
     21     -17.5481      1.00000
     22     -17.0972      1.00000
     23     -17.0546      1.00000
     24     -16.9375      1.00000
     25     -15.9806      1.00000
     26     -15.8691      1.00000
     27     -15.5660      1.00000
     28     -15.5272      1.00000
     29     -15.2307      1.00000
     30     -14.8484      1.00000
     31     -14.7905      1.00000
     32     -14.5368      1.00000
     33     -14.4994      1.00000
     34     -14.1281      1.00000
     35     -14.1157      1.00000
     36     -13.1553      1.00000
     37     -13.0483      1.00000
     38     -12.9952      1.00000
     39     -12.9753      1.00000
     40     -12.6985      1.00000
     41     -12.6533      1.00000
     42     -12.2963      1.00000
     43     -12.2781      1.00000
     44     -11.6188      1.00000
     45     -11.5858      1.00000
     46     -11.5252      1.00000
     47     -10.9216      1.00000
     48     -10.8960      1.00000
     49     -10.7112      1.00000
     50     -10.5651      1.00000
     51     -10.5336      1.00000
     52     -10.4657      1.00000
     53     -10.4244      1.00000
     54     -10.3656      1.00000
     55     -10.3139      1.00000
     56     -10.0335      1.00000
     57      -9.8693      1.00000
     58      -9.6004      1.00000
     59      -9.5212      1.00000
     60      -9.4530      1.00000
     61      -9.4035      1.00000
     62      -9.3711      1.00000
     63      -9.3404      1.00000
     64      -9.2966      1.00000
     65      -9.2449      1.00000
     66      -9.1340      1.00000
     67      -9.0876      1.00000
     68      -9.0709      1.00000
     69      -8.8500      1.00000
     70      -8.8326      1.00000
     71      -8.7022      1.00000
     72      -8.5592      1.00000
     73      -8.4368      1.00000
     74      -8.1969      1.00000
     75      -8.1698      1.00000
     76      -8.0389      1.00000
     77      -7.8663      1.00000
     78      -7.8026      1.00000
     79      -7.7693      1.00000
     80      -7.7172      1.00000
     81      -7.6784      1.00000
     82      -7.6406      1.00000
     83      -7.4464      1.00000
     84      -7.3071      1.00000
     85      -6.9173      1.00000
     86      -6.8882      1.00000
     87      -6.7759      1.00000
     88      -6.5568      1.00000
     89      -6.3874      1.00000
     90      -6.3222      1.00000
     91      -6.2773      1.00000
     92      -6.1694      1.00000
     93      -6.0670      1.00000
     94      -5.7829      1.00000
     95      -5.5310      1.00000
     96      -5.3556      1.00000
     97      -5.2030      1.00000
     98      -5.1761      1.00000
     99      -5.0295      1.00000
    100      -4.8133      1.00000
    101      -4.6689      1.00000
    102      -4.4939      1.00000
    103      -4.4323      1.00000
    104      -4.2367      1.00000
    105      -3.6314      1.00000
    106      -3.5489      1.00000
    107      -2.8425      0.00000
    108      -2.1346      0.00000
    109      -1.2452      0.00000
    110      -1.1883      0.00000
    111      -1.1773      0.00000
    112      -0.8844      0.00000
    113      -0.8667      0.00000
    114      -0.7853      0.00000
    115      -0.7522      0.00000
    116       0.1438      0.00000
    117       0.2449      0.00000
    118       0.3173      0.00000
    119       0.7246      0.00000
    120       0.8590      0.00000
    121       0.9374      0.00000
    122       1.1690      0.00000
    123       1.2655      0.00000
    124       1.5229      0.00000
    125       1.5899      0.00000
    126       1.7993      0.00000
    127       1.8855      0.00000
    128       1.8949      0.00000
    129       1.9749      0.00000
    130       2.0563      0.00000
    131       2.2284      0.00000
    132       2.3460      0.00000
    133       2.4376      0.00000
    134       2.4523      0.00000
    135       2.5775      0.00000
    136       2.6080      0.00000
    137       2.6644      0.00000
    138       2.7223      0.00000
    139       2.7657      0.00000
    140       2.9053      0.00000
    141       3.0530      0.00000
    142       3.1506      0.00000
    143       3.2069      0.00000
    144       3.2337      0.00000
    145       3.2482      0.00000
    146       3.2881      0.00000
    147       3.3549      0.00000
    148       3.4482      0.00000
    149       3.5581      0.00000
    150       3.6126      0.00000
    151       3.6964      0.00000
    152       3.7300      0.00000
    153       3.8651      0.00000
    154       3.9067      0.00000
    155       3.9422      0.00000
    156       3.9685      0.00000
    157       4.0237      0.00000
    158       4.0285      0.00000
    159       4.0417      0.00000
    160       4.0871      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3328      1.00000
      2     -21.7724      1.00000
      3     -21.5916      1.00000
      4     -21.5673      1.00000
      5     -21.2224      1.00000
      6     -21.1933      1.00000
      7     -21.0176      1.00000
      8     -20.1179      1.00000
      9     -20.0864      1.00000
     10     -19.5758      1.00000
     11     -19.5414      1.00000
     12     -19.3715      1.00000
     13     -19.0600      1.00000
     14     -19.0193      1.00000
     15     -19.0024      1.00000
     16     -18.9846      1.00000
     17     -18.3325      1.00000
     18     -18.3013      1.00000
     19     -17.9723      1.00000
     20     -17.0223      1.00000
     21     -16.9810      1.00000
     22     -16.9244      1.00000
     23     -16.8986      1.00000
     24     -16.4541      1.00000
     25     -16.4190      1.00000
     26     -15.5752      1.00000
     27     -15.5468      1.00000
     28     -15.2031      1.00000
     29     -15.1806      1.00000
     30     -15.1613      1.00000
     31     -15.0819      1.00000
     32     -15.0280      1.00000
     33     -14.6693      1.00000
     34     -14.6428      1.00000
     35     -13.7030      1.00000
     36     -13.6709      1.00000
     37     -13.2059      1.00000
     38     -12.6385      1.00000
     39     -12.5376      1.00000
     40     -12.4250      1.00000
     41     -12.4024      1.00000
     42     -12.0729      1.00000
     43     -12.0518      1.00000
     44     -11.6771      1.00000
     45     -11.6448      1.00000
     46     -11.2866      1.00000
     47     -11.1844      1.00000
     48     -10.9947      1.00000
     49     -10.9629      1.00000
     50     -10.8880      1.00000
     51     -10.8554      1.00000
     52     -10.5612      1.00000
     53     -10.2051      1.00000
     54     -10.1153      1.00000
     55     -10.0580      1.00000
     56      -9.8890      1.00000
     57      -9.6618      1.00000
     58      -9.6613      1.00000
     59      -9.6255      1.00000
     60      -9.5999      1.00000
     61      -9.5323      1.00000
     62      -9.4730      1.00000
     63      -9.3118      1.00000
     64      -9.2634      1.00000
     65      -9.2211      1.00000
     66      -9.1925      1.00000
     67      -9.0942      1.00000
     68      -9.0899      1.00000
     69      -9.0676      1.00000
     70      -8.9019      1.00000
     71      -8.8383      1.00000
     72      -8.5729      1.00000
     73      -8.5590      1.00000
     74      -8.1702      1.00000
     75      -8.0103      1.00000
     76      -7.9480      1.00000
     77      -7.8826      1.00000
     78      -7.7762      1.00000
     79      -7.7269      1.00000
     80      -7.7122      1.00000
     81      -7.4012      1.00000
     82      -7.2809      1.00000
     83      -7.2439      1.00000
     84      -7.2175      1.00000
     85      -7.1528      1.00000
     86      -6.9679      1.00000
     87      -6.8567      1.00000
     88      -6.6930      1.00000
     89      -6.6614      1.00000
     90      -6.5845      1.00000
     91      -6.1588      1.00000
     92      -6.0860      1.00000
     93      -6.0720      1.00000
     94      -5.9088      1.00000
     95      -5.8814      1.00000
     96      -5.3766      1.00000
     97      -5.1888      1.00000
     98      -4.8718      1.00000
     99      -4.8565      1.00000
    100      -4.6458      1.00000
    101      -4.5246      1.00000
    102      -4.3906      1.00000
    103      -4.2660      1.00000
    104      -4.0637      1.00000
    105      -4.0386      1.00000
    106      -3.5675      1.00000
    107      -2.8638      0.00000
    108      -1.7035      0.00000
    109      -1.6979      0.00000
    110      -1.3065      0.00000
    111      -1.2602      0.00000
    112      -1.2295      0.00000
    113      -1.2280      0.00000
    114      -0.5657      0.00000
    115      -0.2538      0.00000
    116      -0.1139      0.00000
    117       0.5863      0.00000
    118       0.6773      0.00000
    119       0.8090      0.00000
    120       0.9587      0.00000
    121       1.1408      0.00000
    122       1.2060      0.00000
    123       1.2851      0.00000
    124       1.4620      0.00000
    125       1.6240      0.00000
    126       1.6917      0.00000
    127       1.7803      0.00000
    128       1.7861      0.00000
    129       1.9127      0.00000
    130       1.9410      0.00000
    131       2.1865      0.00000
    132       2.1993      0.00000
    133       2.2427      0.00000
    134       2.4752      0.00000
    135       2.5148      0.00000
    136       2.6089      0.00000
    137       2.6414      0.00000
    138       2.7103      0.00000
    139       2.8322      0.00000
    140       2.8409      0.00000
    141       2.8616      0.00000
    142       2.9636      0.00000
    143       2.9852      0.00000
    144       3.0316      0.00000
    145       3.1535      0.00000
    146       3.3598      0.00000
    147       3.3849      0.00000
    148       3.4313      0.00000
    149       3.5948      0.00000
    150       3.6277      0.00000
    151       3.6396      0.00000
    152       3.6843      0.00000
    153       3.8006      0.00000
    154       3.8165      0.00000
    155       4.0189      0.00000
    156       4.0377      0.00000
    157       4.0620      0.00000
    158       4.1414      0.00000
    159       4.2478      0.00000
    160       4.3620      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1158      1.00000
      2     -22.1005      1.00000
      3     -21.9148      1.00000
      4     -21.3576      1.00000
      5     -20.9909      1.00000
      6     -20.9787      1.00000
      7     -20.4395      1.00000
      8     -20.4252      1.00000
      9     -20.2458      1.00000
     10     -20.2441      1.00000
     11     -19.8866      1.00000
     12     -19.8736      1.00000
     13     -18.8207      1.00000
     14     -18.7949      1.00000
     15     -18.2826      1.00000
     16     -18.2759      1.00000
     17     -18.1115      1.00000
     18     -18.1047      1.00000
     19     -17.7646      1.00000
     20     -17.7595      1.00000
     21     -17.2286      1.00000
     22     -17.2006      1.00000
     23     -17.1135      1.00000
     24     -17.0984      1.00000
     25     -16.0902      1.00000
     26     -15.8310      1.00000
     27     -15.8207      1.00000
     28     -15.8045      1.00000
     29     -15.1820      1.00000
     30     -14.5111      1.00000
     31     -14.4972      1.00000
     32     -14.2272      1.00000
     33     -13.9618      1.00000
     34     -13.9248      1.00000
     35     -13.7877      1.00000
     36     -13.7766      1.00000
     37     -13.5585      1.00000
     38     -13.5386      1.00000
     39     -13.3282      1.00000
     40     -12.6090      1.00000
     41     -12.1292      1.00000
     42     -12.1174      1.00000
     43     -12.0058      1.00000
     44     -11.9893      1.00000
     45     -11.6505      1.00000
     46     -11.6350      1.00000
     47     -11.1385      1.00000
     48     -11.1013      1.00000
     49     -10.7590      1.00000
     50     -10.7017      1.00000
     51     -10.4406      1.00000
     52     -10.1715      1.00000
     53     -10.1642      1.00000
     54     -10.1479      1.00000
     55     -10.0012      1.00000
     56      -9.9625      1.00000
     57      -9.9356      1.00000
     58      -9.8127      1.00000
     59      -9.7634      1.00000
     60      -9.7422      1.00000
     61      -9.7275      1.00000
     62      -9.4316      1.00000
     63      -9.3314      1.00000
     64      -9.0761      1.00000
     65      -9.0393      1.00000
     66      -8.9678      1.00000
     67      -8.9398      1.00000
     68      -8.7999      1.00000
     69      -8.6815      1.00000
     70      -8.6655      1.00000
     71      -8.5470      1.00000
     72      -8.5141      1.00000
     73      -8.4429      1.00000
     74      -8.4364      1.00000
     75      -8.2991      1.00000
     76      -8.2302      1.00000
     77      -8.1102      1.00000
     78      -8.0477      1.00000
     79      -8.0229      1.00000
     80      -7.7880      1.00000
     81      -7.6005      1.00000
     82      -7.5917      1.00000
     83      -7.4603      1.00000
     84      -7.0008      1.00000
     85      -6.9474      1.00000
     86      -6.8605      1.00000
     87      -6.5737      1.00000
     88      -6.5408      1.00000
     89      -6.4595      1.00000
     90      -6.4060      1.00000
     91      -6.3303      1.00000
     92      -5.9842      1.00000
     93      -5.7681      1.00000
     94      -5.7266      1.00000
     95      -5.5592      1.00000
     96      -5.3781      1.00000
     97      -5.2036      1.00000
     98      -5.1978      1.00000
     99      -5.1767      1.00000
    100      -5.1553      1.00000
    101      -4.6483      1.00000
    102      -4.5025      1.00000
    103      -4.4434      1.00000
    104      -4.3851      1.00000
    105      -3.5742      1.00000
    106      -3.4305      1.00000
    107      -2.7312      0.00000
    108      -2.4073      0.00000
    109      -1.1650      0.00000
    110      -1.1557      0.00000
    111      -1.1463      0.00000
    112      -1.0513      0.00000
    113      -0.4880      0.00000
    114      -0.4773      0.00000
    115      -0.3227      0.00000
    116      -0.2464      0.00000
    117       0.0068      0.00000
    118       0.0090      0.00000
    119       0.5230      0.00000
    120       0.6649      0.00000
    121       0.8255      0.00000
    122       1.0092      0.00000
    123       1.2482      0.00000
    124       1.5117      0.00000
    125       1.7705      0.00000
    126       1.9615      0.00000
    127       1.9686      0.00000
    128       2.0322      0.00000
    129       2.1273      0.00000
    130       2.1797      0.00000
    131       2.2901      0.00000
    132       2.2957      0.00000
    133       2.3699      0.00000
    134       2.5634      0.00000
    135       2.6385      0.00000
    136       2.6907      0.00000
    137       2.8553      0.00000
    138       2.8953      0.00000
    139       2.9688      0.00000
    140       3.0113      0.00000
    141       3.1383      0.00000
    142       3.1492      0.00000
    143       3.1522      0.00000
    144       3.1876      0.00000
    145       3.2501      0.00000
    146       3.2556      0.00000
    147       3.3420      0.00000
    148       3.3546      0.00000
    149       3.4318      0.00000
    150       3.4445      0.00000
    151       3.5232      0.00000
    152       3.6507      0.00000
    153       3.6961      0.00000
    154       3.7178      0.00000
    155       3.8470      0.00000
    156       3.9184      0.00000
    157       3.9755      0.00000
    158       4.0070      0.00000
    159       4.1294      0.00000
    160       4.2208      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2202      1.00000
      2     -22.0323      1.00000
      3     -21.6673      1.00000
      4     -21.6420      1.00000
      5     -20.9267      1.00000
      6     -20.8965      1.00000
      7     -20.5570      1.00000
      8     -20.5370      1.00000
      9     -20.5265      1.00000
     10     -19.9900      1.00000
     11     -19.4657      1.00000
     12     -19.4329      1.00000
     13     -19.2802      1.00000
     14     -19.2525      1.00000
     15     -18.3981      1.00000
     16     -18.3665      1.00000
     17     -17.8965      1.00000
     18     -17.8641      1.00000
     19     -17.7135      1.00000
     20     -17.6795      1.00000
     21     -17.4116      1.00000
     22     -17.3806      1.00000
     23     -17.2930      1.00000
     24     -16.4533      1.00000
     25     -16.4141      1.00000
     26     -15.9346      1.00000
     27     -15.3783      1.00000
     28     -15.3506      1.00000
     29     -15.0668      1.00000
     30     -15.0373      1.00000
     31     -14.8091      1.00000
     32     -14.7873      1.00000
     33     -14.2846      1.00000
     34     -14.2132      1.00000
     35     -13.4418      1.00000
     36     -13.3590      1.00000
     37     -13.1516      1.00000
     38     -13.1201      1.00000
     39     -12.9594      1.00000
     40     -12.9290      1.00000
     41     -12.5855      1.00000
     42     -12.5585      1.00000
     43     -12.1720      1.00000
     44     -11.5345      1.00000
     45     -11.4983      1.00000
     46     -11.2733      1.00000
     47     -11.2443      1.00000
     48     -11.1291      1.00000
     49     -10.7655      1.00000
     50     -10.6254      1.00000
     51     -10.4487      1.00000
     52     -10.2802      1.00000
     53     -10.2731      1.00000
     54     -10.1650      1.00000
     55     -10.0884      1.00000
     56     -10.0558      1.00000
     57      -9.8035      1.00000
     58      -9.7027      1.00000
     59      -9.6895      1.00000
     60      -9.6817      1.00000
     61      -9.6690      1.00000
     62      -9.6032      1.00000
     63      -9.3427      1.00000
     64      -9.3150      1.00000
     65      -9.2869      1.00000
     66      -8.9674      1.00000
     67      -8.9276      1.00000
     68      -8.8781      1.00000
     69      -8.7464      1.00000
     70      -8.5600      1.00000
     71      -8.4820      1.00000
     72      -8.3988      1.00000
     73      -8.3589      1.00000
     74      -8.2849      1.00000
     75      -8.2389      1.00000
     76      -8.2238      1.00000
     77      -8.2096      1.00000
     78      -8.1929      1.00000
     79      -7.9959      1.00000
     80      -7.7782      1.00000
     81      -7.4127      1.00000
     82      -7.3161      1.00000
     83      -7.2377      1.00000
     84      -7.1388      1.00000
     85      -7.0944      1.00000
     86      -6.9554      1.00000
     87      -6.9079      1.00000
     88      -6.5847      1.00000
     89      -6.5562      1.00000
     90      -6.4345      1.00000
     91      -6.2474      1.00000
     92      -5.9024      1.00000
     93      -5.8220      1.00000
     94      -5.6737      1.00000
     95      -5.5830      1.00000
     96      -5.2936      1.00000
     97      -5.2593      1.00000
     98      -5.1827      1.00000
     99      -5.1821      1.00000
    100      -5.1593      1.00000
    101      -4.5234      1.00000
    102      -4.4565      1.00000
    103      -4.3982      1.00000
    104      -4.0752      1.00000
    105      -3.9272      1.00000
    106      -3.5203      1.00000
    107      -2.8132      0.00000
    108      -1.8040      0.00000
    109      -1.7924      0.00000
    110      -1.0765      0.00000
    111      -1.0096      0.00000
    112      -0.9259      0.00000
    113      -0.6542      0.00000
    114      -0.6047      0.00000
    115      -0.5689      0.00000
    116      -0.5273      0.00000
    117       0.1605      0.00000
    118       0.2639      0.00000
    119       0.7154      0.00000
    120       0.9769      0.00000
    121       1.0973      0.00000
    122       1.2567      0.00000
    123       1.4315      0.00000
    124       1.5371      0.00000
    125       1.6057      0.00000
    126       1.6394      0.00000
    127       1.6496      0.00000
    128       1.8509      0.00000
    129       1.9400      0.00000
    130       2.1229      0.00000
    131       2.2216      0.00000
    132       2.3520      0.00000
    133       2.3748      0.00000
    134       2.4727      0.00000
    135       2.6077      0.00000
    136       2.6666      0.00000
    137       2.7500      0.00000
    138       2.7532      0.00000
    139       2.8665      0.00000
    140       2.9725      0.00000
    141       3.0661      0.00000
    142       3.0786      0.00000
    143       3.1957      0.00000
    144       3.2959      0.00000
    145       3.3403      0.00000
    146       3.3555      0.00000
    147       3.4928      0.00000
    148       3.5357      0.00000
    149       3.5674      0.00000
    150       3.6042      0.00000
    151       3.6254      0.00000
    152       3.7006      0.00000
    153       3.7437      0.00000
    154       3.7887      0.00000
    155       3.7933      0.00000
    156       3.8624      0.00000
    157       3.9374      0.00000
    158       4.0277      0.00000
    159       4.0473      0.00000
    160       4.2954      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0453   -6.8554    2.8563   -0.4768   -0.0185   17.1421    0.1004   -0.0751    0.1200   -0.2119
x    -3.1500   -0.0334   -0.0584    0.0253    0.0340   -3.0235    0.0197   -0.0017   -0.0001    0.0000
x    -0.0931   -0.0011    0.0020   -0.0017    0.0007   -0.0239    0.0001    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0453    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0011    0.0005    0.0035   -0.0985   -0.0408    0.0710    0.0093
y     0.0425   -3.2488   -0.0988    0.2046   -2.4312   -0.6650
z   204.0453    1.9762    0.0129   -0.0671    0.0176    0.0776   -0.0028   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0611    0.0084    0.0021    0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.8000
z    -0.5098    0.0385    0.0740    0.1467   -0.0979   -0.0018
 total charge-density along one line
x   212.0000   -9.6832    4.7909   -1.2797   -0.2539   19.0814   -1.1225    1.0510   -0.6831    0.2215
x    -2.7484   -0.0176   -0.0409    0.0178    0.0346   -2.3070    0.0191    0.0019   -0.0031   -0.0008
x    -0.0821    0.0012   -0.0021    0.0004    0.0010   -0.0370    0.0003    0.0005   -0.0003   -0.0004
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6832    4.7909   -1.2797   -0.2539   19.0814   -1.1225    1.0510   -0.6831    0.2215
y    -2.7484   -0.0176   -0.0409    0.0178    0.0346   -2.3070    0.0191    0.0019   -0.0031   -0.0008
y    -0.0821    0.0012   -0.0021    0.0004    0.0010   -0.0370    0.0003    0.0005   -0.0003   -0.0004
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6783  189.4289 -169.4326  151.1733 -136.4969  123.7734 -110.2988   94.6983  -77.7353
z    61.4655  -47.7693   37.3673  -29.7804   23.9647  -19.0310   14.6019  -10.7337    7.6150   -5.3139
z     3.7098   -2.5812    1.7302   -1.0495    0.5106   -0.1156   -0.1427    0.2895   -0.3573    0.3745
z    -0.3619    0.3361   -0.3095    0.2883   -0.2706    0.2492   -0.2182    0.1784   -0.1367    0.1020
z    -0.0791    0.0665   -0.0590    0.0514   -0.0420    0.0319   -0.0236    0.0183   -0.0156    0.0140
z    -0.0125    0.0107   -0.0087    0.0069   -0.0052    0.0038   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.302   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.421   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.299   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.202   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.302   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.421   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.299   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.279   0.000  -0.305   0.000  -0.196   0.085  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.063   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.268   0.000   0.299   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.063   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.068   0.037   0.000  -0.052   0.000   0.000
  0.279   0.000  -0.268   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.109   0.321  -0.102   0.000   0.024   0.000   0.000
  0.000   0.047   0.000  -0.063   0.000   0.000   0.111   0.000  -0.050   0.000   0.000   0.000   0.026   0.000   0.059   0.001
 -0.305   0.000   0.299   0.000   0.182  -0.122   0.000   0.430   0.000   0.069   0.149  -0.139   0.000  -0.178   0.000   0.000
  0.000  -0.063   0.000   0.114   0.000   0.000  -0.050   0.000   0.171   0.000   0.000   0.000   0.060   0.000  -0.043  -0.002
 -0.196   0.000   0.158   0.000   0.063  -0.109   0.000   0.069   0.000   0.089  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.085   0.000  -0.280   0.000  -0.068   0.321   0.000   0.149   0.000  -0.178   1.140  -0.354   0.000  -0.140   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.102   0.000  -0.139   0.000   0.061  -0.354   0.215   0.000   0.098   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.026   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.174  -0.009
  0.081   0.000  -0.096   0.000  -0.052   0.024   0.000  -0.178   0.000  -0.012  -0.140   0.098   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.043   0.000   0.000   0.000   0.174   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.008   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.855   8.785
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.643
  5        0.863   1.782   0.000   2.645
  6        0.864   1.782   0.000   2.646
  7        0.865   1.786   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.785   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.775   0.000   2.640
 17        0.849   1.732   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.782   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.783   0.000   2.646
 22        0.865   1.767   0.000   2.632
 23        0.864   1.775   0.000   2.638
 24        0.863   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 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   2.647
 35        0.864   1.775   0.000   2.638
 36        0.865   1.767   0.000   2.632
 37        0.863   1.783   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.785   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.581
 42        0.865   1.775   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.643
 50        0.864   1.782   0.000   2.646
 51        0.865   1.786   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.863   1.782   0.000   2.645
------------------------------------------------
tot       44.792  89.403   7.855 142.050
 


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


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


    CHARGE:  VPU time  113.82: CPU time   57.60
    FORLOC:  VPU time    1.25: CPU time    1.24
    FORNL :  VPU time  454.69: CPU time  228.44
    STRESS:  VPU time 1345.33: CPU time  676.25
    FORCOR:  VPU time    8.67: CPU time    8.67
    FORHAR:  VPU time    2.27: CPU time    2.27
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force = 0.4087672E-04[ 0.171E-04, 0.646E-04]  d Energy = 0.3831212E-04 0.256E-05
 d Force =-0.3493958E+00[-0.349E+00,-0.350E+00]  d Ewald  = 0.1451863E+01-0.180E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648769 eV

  energy  without entropy=     -469.648769  energy(sigma->0) =     -469.648769
 

  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    40932.94  40978.72 -47638.38     39.64      0.00      0.00
  Hartree  40391.75  40416.51 -39639.95     21.45      0.00      0.00
  E(xc)     -779.25   -778.90   -806.98      0.30      0.00      0.00
  Local   -83615.60 -83683.53  84591.02    -58.83      0.00      0.00
  n-local   -214.71   -206.80   -206.56      5.97      0.00      0.00
  augment     21.82     19.28     20.59     -2.19      0.00      0.00
  Kinetic   3165.46   3163.49   3585.90     -8.15      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.49     -0.46     -0.44      0.02      0.00      0.00
  in kB       -0.29     -0.28     -0.27      0.02      0.00      0.00
  external pressure =       -0.28 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342147111 -0.001323969  0.000000000     0.081028199  0.046793311  0.000000000
    -6.172226786 10.687946781  0.000000000     0.000010037  0.093569137  0.000000000
     0.000000000  0.000000000 19.999856108     0.000000000  0.000000000  0.050000360

  length of vectors
    12.342147182 12.342146892 19.999856108     0.093569135  0.093569137  0.050000360


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.841E-05 -.312E-04 -.110E+04   0.447E-05 -.262E-04 0.110E+04   -.847E-21 -.169E-20 0.368E+01   -.551E-07 0.394E-07 0.118E-01
   -.268E+02 -.464E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.193E+00   0.283E-03 0.488E-03 0.148E-02
   0.268E+02 0.464E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.193E+00   -.283E-03 -.488E-03 0.148E-02
   -.208E+01 0.120E+01 0.308E+02   0.204E+01 -.118E+01 -.308E+02   0.538E-01 -.310E-01 0.635E-02   -.852E-03 0.489E-03 0.674E-03
   0.657E+01 0.654E+01 0.344E+02   -.654E+01 -.652E+01 -.343E+02   -.326E-01 -.122E-01 -.435E-01   0.169E-02 -.372E-03 0.104E-02
   0.117E+02 0.587E+01 0.251E+02   -.116E+02 -.589E+01 -.250E+02   -.525E-01 0.185E-01 -.121E+00   0.156E-02 0.645E-03 0.273E-02
   0.430E+01 -.112E+01 0.209E+02   -.430E+01 0.112E+01 -.209E+02   0.320E-02 -.759E-02 0.128E-01   0.140E-03 0.259E-02 0.272E-02
   -.283E+01 -.262E+01 0.222E+02   0.283E+01 0.260E+01 -.222E+02   -.336E-02 0.165E-01 0.228E-01   -.274E-02 0.730E-03 0.419E-02
   0.854E+00 0.376E+01 0.222E+02   -.835E+00 -.375E+01 -.222E+02   -.160E-01 -.537E-02 0.228E-01   -.201E-02 0.200E-02 0.418E-02
   0.289E+01 0.187E+02 0.370E+02   -.292E+01 -.187E+02 -.370E+02   0.343E-01 -.243E-01 -.172E-01   -.565E-03 0.376E-02 0.164E-03
   0.203E+02 0.223E+02 0.460E+02   -.203E+02 -.224E+02 -.457E+02   0.710E-02 0.117E+00 -.323E+00   0.123E-02 -.554E-04 -.826E-02
   0.273E+02 -.581E+01 0.230E+02   -.274E+02 0.587E+01 -.230E+02   0.965E-01 -.623E-01 0.148E-01   0.195E-02 -.932E-03 -.299E-02
   0.977E+01 -.564E+01 0.158E+02   -.972E+01 0.561E+01 -.158E+02   -.583E-01 0.337E-01 0.401E-01   0.217E-03 -.131E-03 0.513E-02
   0.312E+01 -.317E+01 0.209E+02   -.312E+01 0.316E+01 -.209E+02   0.818E-02 0.102E-02 0.128E-01   -.218E-02 -.142E-02 0.270E-02
   -.687E+01 0.128E+02 0.241E+02   0.685E+01 -.128E+02 -.241E+02   0.219E-01 0.217E-02 0.210E-01   -.364E-02 0.381E-02 0.168E-02
   -.134E+02 0.311E+02 0.316E+02   0.133E+02 -.316E+02 -.318E+02   0.106E+00 0.441E+00 0.259E+00   -.657E-03 0.311E-02 -.127E-01
   0.341E+02 -.197E+02 0.952E+01   -.353E+02 0.204E+02 -.118E+02   0.114E+01 -.661E+00 0.234E+01   0.104E-02 -.603E-03 -.167E-01
   0.187E+02 -.208E+02 0.230E+02   -.188E+02 0.208E+02 -.230E+02   0.102E+00 -.524E-01 0.148E-01   0.178E-02 -.123E-02 -.300E-02
   0.759E+00 -.131E+02 0.251E+02   -.713E+00 0.130E+02 -.250E+02   -.423E-01 0.362E-01 -.121E+00   0.225E-03 -.168E-02 0.272E-02
   -.405E+01 0.985E+00 0.176E+02   0.406E+01 -.100E+01 -.175E+02   -.318E-02 0.179E-01 -.777E-01   -.247E-02 0.485E-04 0.512E-02
   -.181E+02 0.104E+02 0.131E+02   0.181E+02 -.104E+02 -.128E+02   0.347E-02 -.201E-02 -.244E+00   -.362E-02 0.209E-02 0.184E-02
   -.337E+02 -.392E+01 0.316E+02   0.340E+02 0.424E+01 -.318E+02   -.329E+00 -.313E+00 0.259E+00   -.302E-02 -.988E-03 -.127E-01
   -.913E+01 -.287E+02 0.460E+02   0.923E+01 0.288E+02 -.457E+02   -.976E-01 -.646E-01 -.323E+00   0.668E-03 -.105E-02 -.826E-02
   -.237E+01 -.896E+01 0.344E+02   0.238E+01 0.893E+01 -.343E+02   -.568E-02 0.343E-01 -.435E-01   0.117E-02 -.128E-02 0.103E-02
   0.116E+01 -.671E+00 0.238E+02   -.114E+01 0.660E+00 -.237E+02   -.158E-01 0.913E-02 -.682E-01   0.115E-02 -.660E-03 0.220E-02
   -.288E+01 0.301E+01 0.176E+02   0.290E+01 -.301E+01 -.175E+02   -.171E-01 -.620E-02 -.777E-01   -.128E-02 0.212E-02 0.513E-02
   -.145E+02 -.440E+00 0.241E+02   0.145E+02 0.457E+00 -.241E+02   0.906E-02 -.200E-01 0.210E-01   -.511E-02 0.125E-02 0.169E-02
   -.147E+02 -.118E+02 0.370E+02   0.147E+02 0.119E+02 -.370E+02   0.382E-01 -.175E-01 -.172E-01   -.353E-02 -.139E-02 0.168E-03
   0.237E+01 0.896E+01 0.344E+02   -.238E+01 -.893E+01 -.343E+02   0.568E-02 -.343E-01 -.435E-01   -.117E-02 0.128E-02 0.103E-02
   0.147E+02 0.118E+02 0.370E+02   -.147E+02 -.119E+02 -.370E+02   -.382E-01 0.175E-01 -.172E-01   0.353E-02 0.139E-02 0.168E-03
   0.145E+02 0.439E+00 0.241E+02   -.145E+02 -.457E+00 -.241E+02   -.906E-02 0.200E-01 0.210E-01   0.511E-02 -.125E-02 0.169E-02
   0.288E+01 -.301E+01 0.176E+02   -.290E+01 0.301E+01 -.175E+02   0.171E-01 0.620E-02 -.777E-01   0.128E-02 -.212E-02 0.513E-02
   -.116E+01 0.671E+00 0.238E+02   0.114E+01 -.660E+00 -.237E+02   0.158E-01 -.913E-02 -.682E-01   -.115E-02 0.660E-03 0.220E-02
   -.759E+00 0.131E+02 0.251E+02   0.712E+00 -.130E+02 -.250E+02   0.423E-01 -.362E-01 -.121E+00   -.225E-03 0.168E-02 0.272E-02
   0.913E+01 0.287E+02 0.460E+02   -.923E+01 -.288E+02 -.457E+02   0.976E-01 0.646E-01 -.323E+00   -.668E-03 0.105E-02 -.826E-02
   0.337E+02 0.392E+01 0.316E+02   -.340E+02 -.424E+01 -.318E+02   0.329E+00 0.313E+00 0.259E+00   0.302E-02 0.988E-03 -.127E-01
   0.181E+02 -.104E+02 0.131E+02   -.181E+02 0.104E+02 -.128E+02   -.347E-02 0.201E-02 -.244E+00   0.362E-02 -.209E-02 0.184E-02
   0.405E+01 -.985E+00 0.176E+02   -.406E+01 0.100E+01 -.175E+02   0.318E-02 -.179E-01 -.777E-01   0.247E-02 -.485E-04 0.512E-02
   -.312E+01 0.317E+01 0.209E+02   0.312E+01 -.316E+01 -.209E+02   -.818E-02 -.102E-02 0.128E-01   0.218E-02 0.142E-02 0.270E-02
   -.187E+02 0.208E+02 0.230E+02   0.188E+02 -.208E+02 -.230E+02   -.102E+00 0.524E-01 0.148E-01   -.178E-02 0.123E-02 -.300E-02
   -.341E+02 0.197E+02 0.952E+01   0.353E+02 -.204E+02 -.118E+02   -.114E+01 0.661E+00 0.234E+01   -.104E-02 0.603E-03 -.167E-01
   0.134E+02 -.311E+02 0.316E+02   -.133E+02 0.316E+02 -.318E+02   -.106E+00 -.441E+00 0.259E+00   0.657E-03 -.311E-02 -.127E-01
   0.687E+01 -.128E+02 0.241E+02   -.685E+01 0.128E+02 -.241E+02   -.219E-01 -.217E-02 0.210E-01   0.364E-02 -.381E-02 0.168E-02
   -.854E+00 -.376E+01 0.222E+02   0.835E+00 0.375E+01 -.222E+02   0.160E-01 0.537E-02 0.228E-01   0.201E-02 -.200E-02 0.418E-02
   -.977E+01 0.564E+01 0.158E+02   0.972E+01 -.561E+01 -.158E+02   0.583E-01 -.337E-01 0.401E-01   -.217E-03 0.131E-03 0.513E-02
   -.273E+02 0.581E+01 0.230E+02   0.274E+02 -.587E+01 -.230E+02   -.965E-01 0.623E-01 0.148E-01   -.195E-02 0.932E-03 -.299E-02
   -.203E+02 -.223E+02 0.460E+02   0.203E+02 0.224E+02 -.457E+02   -.710E-02 -.117E+00 -.323E+00   -.123E-02 0.554E-04 -.826E-02
   -.289E+01 -.187E+02 0.370E+02   0.292E+01 0.187E+02 -.370E+02   -.343E-01 0.243E-01 -.172E-01   0.565E-03 -.376E-02 0.164E-03
   0.208E+01 -.120E+01 0.308E+02   -.204E+01 0.118E+01 -.308E+02   -.538E-01 0.310E-01 0.635E-02   0.852E-03 -.489E-03 0.674E-03
   0.283E+01 0.262E+01 0.222E+02   -.283E+01 -.260E+01 -.222E+02   0.336E-02 -.165E-01 0.228E-01   0.274E-02 -.730E-03 0.419E-02
   -.430E+01 0.112E+01 0.209E+02   0.430E+01 -.112E+01 -.209E+02   -.320E-02 0.759E-02 0.128E-01   -.140E-03 -.259E-02 0.272E-02
   -.117E+02 -.587E+01 0.251E+02   0.116E+02 0.589E+01 -.250E+02   0.525E-01 -.185E-01 -.121E+00   -.156E-02 -.645E-03 0.273E-02
   -.657E+01 -.654E+01 0.344E+02   0.654E+01 0.652E+01 -.343E+02   0.326E-01 0.122E-01 -.435E-01   -.169E-02 0.372E-03 0.104E-02
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.339E-03 -.638E+01   0.142E-13 0.622E-13 -.576E-12   -.340E-15 0.472E-15 0.643E+01   -.605E-07 0.433E-07 -.245E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85067      6.05593     12.41167         0.000000      0.000000      0.000591
      2.67818      7.48921     12.52202        -0.000468     -0.000810     -0.005497
      1.02316      4.62265     12.52202         0.000468      0.000810     -0.005497
     12.34167     -0.00105      9.87979         0.004871     -0.002812     -0.000439
     -1.23334      2.13850      9.88500         0.001508      0.000237     -0.000932
     -2.46935      4.27625      9.93345         0.004057     -0.002432     -0.002666
      8.63817      6.41135      9.94289         0.004630     -0.001506     -0.004599
     -4.93605      8.54986      9.91900         0.000619     -0.000269     -0.000695
     -3.70250     10.68643      9.91900         0.000542     -0.000402     -0.000695
      1.23530      2.14023      9.92512         0.003783     -0.004287      0.002856
     -0.00394      4.27866     10.00891         0.010736      0.001324      0.007198
     -1.23898      6.41058     10.03578         0.005525     -0.004418      0.005779
     -2.46640      8.54839      9.96763        -0.005285      0.003051     -0.007702
      4.93661      0.00007      9.94289         0.003619     -0.003257     -0.004599
      3.70264      2.13358      9.96169        -0.002210      0.005862      0.000734
      2.47228      4.25339     10.13079        -0.001092     -0.002482     -0.004266
      1.21388      6.42358     10.35791         0.000732     -0.000423      0.010121
     -0.00129      8.55432     10.03578         0.006588     -0.002576      0.005779
      1.23191     10.68702      9.93345         0.004135     -0.002297     -0.002666
      6.17045      2.13612      9.94328         0.003977      0.000828     -0.000264
      4.93921      4.27276     10.02793        -0.005603      0.003235      0.001876
      3.72252      6.41887     10.13079         0.001604      0.002187     -0.004266
      2.46253      8.55071     10.00891         0.004222     -0.009960      0.007198
      3.70125     10.68548      9.88500         0.000549     -0.001424     -0.000932
      8.63871      2.13685      9.90216         0.003706     -0.002140     -0.004946
      7.40521      4.27480      9.94328         0.001271     -0.003858     -0.000264
      6.17351      6.41325      9.96169        -0.006181     -0.001017      0.000734
      4.93408      8.54671      9.92512         0.005604     -0.001133      0.002856
      0.00008      1.42638      9.88500        -0.000549      0.001424     -0.000932
     -1.23274      3.56515      9.92512        -0.005604      0.001133      0.002856
     -2.47217      5.69861      9.96169         0.006181      0.001017      0.000734
     -3.70388      7.83706      9.94328        -0.001271      0.003858     -0.000264
     -4.93737      9.97500      9.90216        -0.003706      0.002140     -0.004946
      2.46943      1.42484      9.93345        -0.004135      0.002297     -0.002666
      1.23881      3.56115     10.00891        -0.004222      0.009960      0.007198
     -0.02118      5.69298     10.13079        -0.001604     -0.002187     -0.004266
     -1.23787      7.83910     10.02793         0.005603     -0.003235      0.001876
     -2.46911      9.97574      9.94328        -0.003977     -0.000828     -0.000264
      4.93695      1.42384      9.94289        -0.003619      0.003257     -0.004599
      3.70263      3.55754     10.03578        -0.006588      0.002576      0.005779
      2.48746      5.68828     10.35791        -0.000732      0.000423      0.010121
      1.22906      7.85847     10.13079         0.001092      0.002482     -0.004266
     -0.00130      9.97828      9.96169         0.002210     -0.005862      0.000734
      7.40384      1.42542      9.91900        -0.000542      0.000402     -0.000695
      6.16773      3.56347      9.96763         0.005285     -0.003051     -0.007702
      4.94032      5.70128     10.03578        -0.005525      0.004418      0.005779
      3.70528      7.83320     10.00891        -0.010736     -0.001324      0.007198
      2.46603      9.97163      9.92512        -0.003783      0.004287      0.002856
      9.87404      1.42363      9.87979        -0.004871      0.002812     -0.000439
      8.63739      3.56200      9.91900        -0.000619      0.000269     -0.000695
      7.40532      5.69918      9.94289        -0.004630      0.001506     -0.004599
      6.17069      7.83561      9.93345        -0.004057      0.002432     -0.002666
      4.93468      9.97336      9.88500        -0.001508     -0.000237     -0.000932
 -----------------------------------------------------------------------------------
    total drift:                               -0.001839      0.000339      0.027141


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




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


    WAVPRE:  VPU time    1.93: CPU time    1.93
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.34
    ORTHCH:  VPU time  182.77: CPU time   91.71
     LOOP+:  VPU time 5564.64: CPU time 2867.87


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


    POTLOK:  VPU time    9.23: CPU time    9.08
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1806.96: CPU time  940.28
 BZINTS: Fermi energy: -3.239870;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.34: CPU time   58.55
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1933.11: CPU time 1008.46

 eigenvalue-minimisations  :  5968
 total energy-change (2. order) :-0.4696488E+03  (-0.1672222E-03)
 number of electron  212.0000051 magnetization    0.0000000
 augmentation part     7.9545765 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.97731E-03    rms(broyden)= 0.97626E-03
  rms(prec ) = 0.10515E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34272.78276193
  -1/2 Hartree   DENC   =    -41167.93253859
  -V(xc)+E(xc)   XCENC  =       726.33169639
  PAW double counting   =      4067.77284752    -4106.42565337
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.61773634
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64876886 eV

  energy without entropy =     -469.64876886  energy(sigma->0) =     -469.64876886


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




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


    POTLOK:  VPU time    9.17: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1380.66: CPU time  713.25
 BZINTS: Fermi energy: -3.239877;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1390.20: CPU time  722.79

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.1783828E-06  (-0.2687253E-05)
 number of electron  212.0000051 magnetization    0.0000000
 augmentation part     7.9545765 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34272.78276193
  -1/2 Hartree   DENC   =    -41167.91275119
  -V(xc)+E(xc)   XCENC  =       726.33080805
  PAW double counting   =      4067.73402852    -4106.38705181
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.63641778
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64876869 eV

  energy without entropy =     -469.64876869  energy(sigma->0) =     -469.64876869


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




 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 -59.0129       2 -37.4848       3 -37.4847       4 -58.3171       5 -58.2916
       6 -58.3040       7 -58.3019       8 -58.3105       9 -58.3105      10 -58.2850
      11 -58.3229      12 -58.2797      13 -58.3220      14 -58.3019      15 -58.3003
      16 -58.3972      17 -58.9699      18 -58.2798      19 -58.3040      20 -58.3063
      21 -58.2927      22 -58.3972      23 -58.3229      24 -58.2916      25 -58.3272
      26 -58.3063      27 -58.3003      28 -58.2850      29 -58.2915      30 -58.2849
      31 -58.3002      32 -58.3062      33 -58.3271      34 -58.3039      35 -58.3228
      36 -58.3971      37 -58.2926      38 -58.3062      39 -58.3018      40 -58.2796
      41 -58.9698      42 -58.3971      43 -58.3002      44 -58.3104      45 -58.3219
      46 -58.2796      47 -58.3228      48 -58.2849      49 -58.3170      50 -58.3104
      51 -58.3018      52 -58.3039      53 -58.2915
 
 
 
 E-fermi :  -3.2399     XC(G=0):  -2.3369     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     -22.3704      1.00000
      2     -21.5017      1.00000
      3     -21.4293      1.00000
      4     -21.4291      1.00000
      5     -21.4167      1.00000
      6     -21.4053      1.00000
      7     -21.4030      1.00000
      8     -19.6640      1.00000
      9     -19.5952      1.00000
     10     -19.5907      1.00000
     11     -19.5780      1.00000
     12     -19.5670      1.00000
     13     -19.5633      1.00000
     14     -18.7646      1.00000
     15     -18.7023      1.00000
     16     -18.6941      1.00000
     17     -18.6810      1.00000
     18     -18.6725      1.00000
     19     -18.6676      1.00000
     20     -16.6289      1.00000
     21     -16.5478      1.00000
     22     -16.5431      1.00000
     23     -16.5328      1.00000
     24     -16.5255      1.00000
     25     -16.5216      1.00000
     26     -15.6062      1.00000
     27     -15.5641      1.00000
     28     -15.5220      1.00000
     29     -15.5208      1.00000
     30     -15.5167      1.00000
     31     -15.5135      1.00000
     32     -14.2544      1.00000
     33     -14.2195      1.00000
     34     -14.1937      1.00000
     35     -14.1932      1.00000
     36     -14.1739      1.00000
     37     -14.1691      1.00000
     38     -11.9835      1.00000
     39     -11.8710      1.00000
     40     -11.8226      1.00000
     41     -11.8079      1.00000
     42     -11.8070      1.00000
     43     -11.8013      1.00000
     44     -11.7278      1.00000
     45     -11.7208      1.00000
     46     -11.7054      1.00000
     47     -11.6969      1.00000
     48     -11.6868      1.00000
     49     -11.6802      1.00000
     50     -10.6427      1.00000
     51     -10.3737      1.00000
     52     -10.3562      1.00000
     53     -10.3356      1.00000
     54     -10.3266      1.00000
     55     -10.3181      1.00000
     56     -10.2941      1.00000
     57      -9.7900      1.00000
     58      -9.4097      1.00000
     59      -9.3886      1.00000
     60      -9.3520      1.00000
     61      -9.3408      1.00000
     62      -9.3320      1.00000
     63      -9.1759      1.00000
     64      -9.0764      1.00000
     65      -9.0746      1.00000
     66      -9.0621      1.00000
     67      -9.0597      1.00000
     68      -9.0312      1.00000
     69      -9.0274      1.00000
     70      -9.0251      1.00000
     71      -9.0124      1.00000
     72      -9.0034      1.00000
     73      -8.9927      1.00000
     74      -8.9713      1.00000
     75      -7.9895      1.00000
     76      -7.6992      1.00000
     77      -7.5051      1.00000
     78      -7.4854      1.00000
     79      -7.4589      1.00000
     80      -7.4113      1.00000
     81      -7.3956      1.00000
     82      -7.3767      1.00000
     83      -7.3468      1.00000
     84      -7.2226      1.00000
     85      -7.1813      1.00000
     86      -7.1763      1.00000
     87      -7.1723      1.00000
     88      -6.6142      1.00000
     89      -6.5766      1.00000
     90      -6.3650      1.00000
     91      -6.3557      1.00000
     92      -6.3160      1.00000
     93      -6.2917      1.00000
     94      -5.9425      1.00000
     95      -5.8924      1.00000
     96      -5.3629      1.00000
     97      -5.1908      1.00000
     98      -4.8384      1.00000
     99      -4.7177      1.00000
    100      -4.3649      1.00000
    101      -4.3567      1.00000
    102      -4.3456      1.00000
    103      -4.3332      1.00000
    104      -4.1681      1.00000
    105      -3.9326      1.00000
    106      -3.5973      1.00000
    107      -2.9193      0.00000
    108      -1.5524      0.00000
    109      -1.5484      0.00000
    110      -1.5366      0.00000
    111      -1.5363      0.00000
    112      -1.4785      0.00000
    113      -1.4618      0.00000
    114       0.0774      0.00000
    115       0.2375      0.00000
    116       0.2818      0.00000
    117       0.3027      0.00000
    118       0.3073      0.00000
    119       0.3744      0.00000
    120       0.6199      0.00000
    121       1.2695      0.00000
    122       1.3811      0.00000
    123       1.7077      0.00000
    124       1.7587      0.00000
    125       1.7894      0.00000
    126       1.7951      0.00000
    127       1.8574      0.00000
    128       1.8751      0.00000
    129       2.0030      0.00000
    130       2.0050      0.00000
    131       2.0174      0.00000
    132       2.0238      0.00000
    133       2.0240      0.00000
    134       2.0918      0.00000
    135       2.3236      0.00000
    136       2.4680      0.00000
    137       2.5785      0.00000
    138       2.6166      0.00000
    139       2.6543      0.00000
    140       2.7408      0.00000
    141       2.8734      0.00000
    142       3.0436      0.00000
    143       3.0827      0.00000
    144       3.0887      0.00000
    145       3.0894      0.00000
    146       3.0942      0.00000
    147       3.0976      0.00000
    148       3.4606      0.00000
    149       3.5493      0.00000
    150       3.5985      0.00000
    151       3.9414      0.00000
    152       3.9559      0.00000
    153       3.9711      0.00000
    154       3.9730      0.00000
    155       3.9818      0.00000
    156       4.0604      0.00000
    157       4.1621      0.00000
    158       4.2126      0.00000
    159       4.2627      0.00000
    160       4.2801      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3329      1.00000
      2     -21.7704      1.00000
      3     -21.5959      1.00000
      4     -21.5656      1.00000
      5     -21.2205      1.00000
      6     -21.1930      1.00000
      7     -21.0191      1.00000
      8     -20.1180      1.00000
      9     -20.0860      1.00000
     10     -19.5707      1.00000
     11     -19.5433      1.00000
     12     -19.3769      1.00000
     13     -19.0488      1.00000
     14     -19.0178      1.00000
     15     -19.0038      1.00000
     16     -18.9930      1.00000
     17     -18.3270      1.00000
     18     -18.3024      1.00000
     19     -17.9802      1.00000
     20     -17.0340      1.00000
     21     -16.9830      1.00000
     22     -16.9170      1.00000
     23     -16.8969      1.00000
     24     -16.4359      1.00000
     25     -16.4136      1.00000
     26     -15.5884      1.00000
     27     -15.5561      1.00000
     28     -15.2341      1.00000
     29     -15.1944      1.00000
     30     -15.1311      1.00000
     31     -15.0568      1.00000
     32     -15.0281      1.00000
     33     -14.6678      1.00000
     34     -14.6492      1.00000
     35     -13.7048      1.00000
     36     -13.6790      1.00000
     37     -13.2010      1.00000
     38     -12.5972      1.00000
     39     -12.5402      1.00000
     40     -12.4183      1.00000
     41     -12.4024      1.00000
     42     -12.1092      1.00000
     43     -12.0673      1.00000
     44     -11.6948      1.00000
     45     -11.6456      1.00000
     46     -11.2327      1.00000
     47     -11.1892      1.00000
     48     -11.0067      1.00000
     49     -10.9705      1.00000
     50     -10.9081      1.00000
     51     -10.8646      1.00000
     52     -10.5288      1.00000
     53     -10.1271      1.00000
     54     -10.1218      1.00000
     55     -10.0797      1.00000
     56      -9.9177      1.00000
     57      -9.7059      1.00000
     58      -9.6694      1.00000
     59      -9.6108      1.00000
     60      -9.5816      1.00000
     61      -9.5420      1.00000
     62      -9.4785      1.00000
     63      -9.2948      1.00000
     64      -9.2755      1.00000
     65      -9.2276      1.00000
     66      -9.1743      1.00000
     67      -9.1094      1.00000
     68      -9.0751      1.00000
     69      -9.0637      1.00000
     70      -8.9042      1.00000
     71      -8.8443      1.00000
     72      -8.6014      1.00000
     73      -8.5654      1.00000
     74      -8.1230      1.00000
     75      -8.0439      1.00000
     76      -7.9502      1.00000
     77      -7.8291      1.00000
     78      -7.7914      1.00000
     79      -7.7286      1.00000
     80      -7.6918      1.00000
     81      -7.3477      1.00000
     82      -7.3337      1.00000
     83      -7.3260      1.00000
     84      -7.2691      1.00000
     85      -7.0650      1.00000
     86      -6.9804      1.00000
     87      -6.8247      1.00000
     88      -6.7496      1.00000
     89      -6.6419      1.00000
     90      -6.5631      1.00000
     91      -6.1373      1.00000
     92      -6.1043      1.00000
     93      -6.0922      1.00000
     94      -5.9649      1.00000
     95      -5.7335      1.00000
     96      -5.3983      1.00000
     97      -5.2058      1.00000
     98      -4.9382      1.00000
     99      -4.7999      1.00000
    100      -4.6371      1.00000
    101      -4.5377      1.00000
    102      -4.4863      1.00000
    103      -4.3652      1.00000
    104      -4.0442      1.00000
    105      -3.8140      1.00000
    106      -3.5742      1.00000
    107      -2.9414      0.00000
    108      -1.7180      0.00000
    109      -1.6747      0.00000
    110      -1.2927      0.00000
    111      -1.2711      0.00000
    112      -1.2447      0.00000
    113      -1.2122      0.00000
    114      -0.5595      0.00000
    115      -0.1900      0.00000
    116      -0.1695      0.00000
    117       0.6316      0.00000
    118       0.6812      0.00000
    119       0.7274      0.00000
    120       0.9866      0.00000
    121       1.1175      0.00000
    122       1.2415      0.00000
    123       1.3468      0.00000
    124       1.4552      0.00000
    125       1.5009      0.00000
    126       1.7478      0.00000
    127       1.7704      0.00000
    128       1.8019      0.00000
    129       1.8593      0.00000
    130       1.9527      0.00000
    131       2.1780      0.00000
    132       2.2188      0.00000
    133       2.2788      0.00000
    134       2.4320      0.00000
    135       2.5102      0.00000
    136       2.6272      0.00000
    137       2.6966      0.00000
    138       2.7005      0.00000
    139       2.7874      0.00000
    140       2.8191      0.00000
    141       2.8612      0.00000
    142       2.8632      0.00000
    143       3.0039      0.00000
    144       3.0800      0.00000
    145       3.2892      0.00000
    146       3.3705      0.00000
    147       3.3788      0.00000
    148       3.4474      0.00000
    149       3.5400      0.00000
    150       3.6128      0.00000
    151       3.6647      0.00000
    152       3.7341      0.00000
    153       3.7751      0.00000
    154       3.9429      0.00000
    155       3.9675      0.00000
    156       4.0582      0.00000
    157       4.0981      0.00000
    158       4.1784      0.00000
    159       4.2550      0.00000
    160       4.2793      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2213      1.00000
      2     -22.0299      1.00000
      3     -21.6702      1.00000
      4     -21.6405      1.00000
      5     -20.9266      1.00000
      6     -20.8960      1.00000
      7     -20.5664      1.00000
      8     -20.5316      1.00000
      9     -20.5228      1.00000
     10     -19.9902      1.00000
     11     -19.4650      1.00000
     12     -19.4354      1.00000
     13     -19.2732      1.00000
     14     -19.2526      1.00000
     15     -18.4046      1.00000
     16     -18.3670      1.00000
     17     -17.8945      1.00000
     18     -17.8636      1.00000
     19     -17.7161      1.00000
     20     -17.6818      1.00000
     21     -17.4073      1.00000
     22     -17.3817      1.00000
     23     -17.3041      1.00000
     24     -16.4312      1.00000
     25     -16.4110      1.00000
     26     -15.9166      1.00000
     27     -15.3875      1.00000
     28     -15.3582      1.00000
     29     -15.0712      1.00000
     30     -15.0444      1.00000
     31     -14.8367      1.00000
     32     -14.8025      1.00000
     33     -14.2526      1.00000
     34     -14.2147      1.00000
     35     -13.4110      1.00000
     36     -13.3610      1.00000
     37     -13.1589      1.00000
     38     -13.1296      1.00000
     39     -12.9352      1.00000
     40     -12.9254      1.00000
     41     -12.6015      1.00000
     42     -12.5693      1.00000
     43     -12.1689      1.00000
     44     -11.5620      1.00000
     45     -11.5014      1.00000
     46     -11.2994      1.00000
     47     -11.2483      1.00000
     48     -11.1205      1.00000
     49     -10.6799      1.00000
     50     -10.6323      1.00000
     51     -10.4467      1.00000
     52     -10.2870      1.00000
     53     -10.2741      1.00000
     54     -10.1588      1.00000
     55     -10.0833      1.00000
     56     -10.0696      1.00000
     57      -9.7877      1.00000
     58      -9.7389      1.00000
     59      -9.6937      1.00000
     60      -9.6723      1.00000
     61      -9.6597      1.00000
     62      -9.5968      1.00000
     63      -9.3368      1.00000
     64      -9.3206      1.00000
     65      -9.2853      1.00000
     66      -9.0281      1.00000
     67      -8.9325      1.00000
     68      -8.8412      1.00000
     69      -8.7604      1.00000
     70      -8.5906      1.00000
     71      -8.4942      1.00000
     72      -8.3694      1.00000
     73      -8.3629      1.00000
     74      -8.3027      1.00000
     75      -8.2432      1.00000
     76      -8.2422      1.00000
     77      -8.2218      1.00000
     78      -8.1948      1.00000
     79      -7.8751      1.00000
     80      -7.7443      1.00000
     81      -7.3703      1.00000
     82      -7.3147      1.00000
     83      -7.2987      1.00000
     84      -7.2064      1.00000
     85      -7.1796      1.00000
     86      -6.9484      1.00000
     87      -6.9302      1.00000
     88      -6.5919      1.00000
     89      -6.5385      1.00000
     90      -6.2639      1.00000
     91      -6.2015      1.00000
     92      -5.9810      1.00000
     93      -5.8147      1.00000
     94      -5.6682      1.00000
     95      -5.5139      1.00000
     96      -5.3297      1.00000
     97      -5.3049      1.00000
     98      -5.1915      1.00000
     99      -5.1896      1.00000
    100      -5.1056      1.00000
    101      -4.6902      1.00000
    102      -4.5513      1.00000
    103      -4.4532      1.00000
    104      -3.9140      1.00000
    105      -3.7076      1.00000
    106      -3.5391      1.00000
    107      -2.9636      0.00000
    108      -1.8166      0.00000
    109      -1.7611      0.00000
    110      -1.0852      0.00000
    111      -0.9703      0.00000
    112      -0.9410      0.00000
    113      -0.6469      0.00000
    114      -0.6039      0.00000
    115      -0.5683      0.00000
    116      -0.5308      0.00000
    117       0.1763      0.00000
    118       0.2574      0.00000
    119       0.7950      0.00000
    120       1.0104      0.00000
    121       1.1177      0.00000
    122       1.1691      0.00000
    123       1.3593      0.00000
    124       1.4857      0.00000
    125       1.5933      0.00000
    126       1.5972      0.00000
    127       1.6986      0.00000
    128       1.9182      0.00000
    129       1.9582      0.00000
    130       2.0397      0.00000
    131       2.1997      0.00000
    132       2.3472      0.00000
    133       2.3920      0.00000
    134       2.4191      0.00000
    135       2.6065      0.00000
    136       2.6927      0.00000
    137       2.7507      0.00000
    138       2.7867      0.00000
    139       2.8558      0.00000
    140       3.0111      0.00000
    141       3.0599      0.00000
    142       3.0995      0.00000
    143       3.1469      0.00000
    144       3.2725      0.00000
    145       3.3342      0.00000
    146       3.4074      0.00000
    147       3.4755      0.00000
    148       3.5482      0.00000
    149       3.5909      0.00000
    150       3.6092      0.00000
    151       3.6900      0.00000
    152       3.7179      0.00000
    153       3.7820      0.00000
    154       3.7978      0.00000
    155       3.8052      0.00000
    156       3.9524      0.00000
    157       3.9683      0.00000
    158       4.0495      0.00000
    159       4.2025      0.00000
    160       4.2659      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2583      1.00000
      2     -21.8864      1.00000
      3     -21.8747      1.00000
      4     -21.3257      1.00000
      5     -21.3132      1.00000
      6     -20.7693      1.00000
      7     -20.7555      1.00000
      8     -20.5775      1.00000
      9     -20.0286      1.00000
     10     -20.0261      1.00000
     11     -19.6709      1.00000
     12     -19.6558      1.00000
     13     -18.9473      1.00000
     14     -18.9472      1.00000
     15     -18.5921      1.00000
     16     -18.5909      1.00000
     17     -18.4174      1.00000
     18     -17.6420      1.00000
     19     -17.5863      1.00000
     20     -17.5645      1.00000
     21     -17.5603      1.00000
     22     -17.0731      1.00000
     23     -17.0707      1.00000
     24     -16.9187      1.00000
     25     -15.9523      1.00000
     26     -15.9026      1.00000
     27     -15.5472      1.00000
     28     -15.5303      1.00000
     29     -15.2673      1.00000
     30     -14.8168      1.00000
     31     -14.7930      1.00000
     32     -14.5400      1.00000
     33     -14.5104      1.00000
     34     -14.1293      1.00000
     35     -14.1265      1.00000
     36     -13.1040      1.00000
     37     -13.0407      1.00000
     38     -13.0183      1.00000
     39     -12.9862      1.00000
     40     -12.6755      1.00000
     41     -12.6737      1.00000
     42     -12.2862      1.00000
     43     -12.2805      1.00000
     44     -11.6517      1.00000
     45     -11.5977      1.00000
     46     -11.5380      1.00000
     47     -10.9385      1.00000
     48     -10.8903      1.00000
     49     -10.6366      1.00000
     50     -10.5968      1.00000
     51     -10.4739      1.00000
     52     -10.4627      1.00000
     53     -10.4056      1.00000
     54     -10.4022      1.00000
     55     -10.3149      1.00000
     56     -10.0384      1.00000
     57      -9.8751      1.00000
     58      -9.5851      1.00000
     59      -9.5222      1.00000
     60      -9.5014      1.00000
     61      -9.3769      1.00000
     62      -9.3710      1.00000
     63      -9.3404      1.00000
     64      -9.2937      1.00000
     65      -9.2402      1.00000
     66      -9.1692      1.00000
     67      -9.1252      1.00000
     68      -9.0812      1.00000
     69      -8.8433      1.00000
     70      -8.8228      1.00000
     71      -8.6805      1.00000
     72      -8.5739      1.00000
     73      -8.4184      1.00000
     74      -8.1982      1.00000
     75      -8.1512      1.00000
     76      -7.9748      1.00000
     77      -7.8826      1.00000
     78      -7.8201      1.00000
     79      -7.7928      1.00000
     80      -7.7652      1.00000
     81      -7.6759      1.00000
     82      -7.6203      1.00000
     83      -7.4092      1.00000
     84      -7.3497      1.00000
     85      -6.8984      1.00000
     86      -6.8901      1.00000
     87      -6.7317      1.00000
     88      -6.6459      1.00000
     89      -6.4087      1.00000
     90      -6.3304      1.00000
     91      -6.2874      1.00000
     92      -6.1826      1.00000
     93      -5.9714      1.00000
     94      -5.5797      1.00000
     95      -5.4789      1.00000
     96      -5.4113      1.00000
     97      -5.3705      1.00000
     98      -5.1937      1.00000
     99      -5.1045      1.00000
    100      -4.7526      1.00000
    101      -4.7028      1.00000
    102      -4.5711      1.00000
    103      -4.4212      1.00000
    104      -4.2014      1.00000
    105      -3.5578      1.00000
    106      -3.3944      1.00000
    107      -3.0467      0.00000
    108      -2.1015      0.00000
    109      -1.2437      0.00000
    110      -1.2039      0.00000
    111      -1.1746      0.00000
    112      -0.9319      0.00000
    113      -0.8325      0.00000
    114      -0.7840      0.00000
    115      -0.7010      0.00000
    116       0.1973      0.00000
    117       0.2034      0.00000
    118       0.3067      0.00000
    119       0.7737      0.00000
    120       0.8236      0.00000
    121       0.9132      0.00000
    122       1.1244      0.00000
    123       1.3328      0.00000
    124       1.5105      0.00000
    125       1.5947      0.00000
    126       1.8092      0.00000
    127       1.8367      0.00000
    128       1.8823      0.00000
    129       1.9722      0.00000
    130       2.0006      0.00000
    131       2.2576      0.00000
    132       2.4017      0.00000
    133       2.4334      0.00000
    134       2.4523      0.00000
    135       2.5578      0.00000
    136       2.5946      0.00000
    137       2.6337      0.00000
    138       2.7241      0.00000
    139       2.7351      0.00000
    140       2.9691      0.00000
    141       3.0700      0.00000
    142       3.1374      0.00000
    143       3.2051      0.00000
    144       3.2493      0.00000
    145       3.2538      0.00000
    146       3.3152      0.00000
    147       3.3629      0.00000
    148       3.5289      0.00000
    149       3.5298      0.00000
    150       3.6306      0.00000
    151       3.6985      0.00000
    152       3.7638      0.00000
    153       3.8174      0.00000
    154       3.9314      0.00000
    155       3.9898      0.00000
    156       4.0076      0.00000
    157       4.0087      0.00000
    158       4.0313      0.00000
    159       4.0391      0.00000
    160       4.1476      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1263      1.00000
      2     -22.0879      1.00000
      3     -21.9167      1.00000
      4     -21.3573      1.00000
      5     -21.0028      1.00000
      6     -20.9666      1.00000
      7     -20.4512      1.00000
      8     -20.4130      1.00000
      9     -20.2601      1.00000
     10     -20.2299      1.00000
     11     -19.8990      1.00000
     12     -19.8614      1.00000
     13     -18.8263      1.00000
     14     -18.7829      1.00000
     15     -18.3107      1.00000
     16     -18.2599      1.00000
     17     -18.1203      1.00000
     18     -18.0905      1.00000
     19     -17.7844      1.00000
     20     -17.7450      1.00000
     21     -17.2248      1.00000
     22     -17.1926      1.00000
     23     -17.1314      1.00000
     24     -17.0923      1.00000
     25     -16.0568      1.00000
     26     -15.8579      1.00000
     27     -15.8207      1.00000
     28     -15.7877      1.00000
     29     -15.2081      1.00000
     30     -14.5291      1.00000
     31     -14.4832      1.00000
     32     -14.2524      1.00000
     33     -13.9291      1.00000
     34     -13.9169      1.00000
     35     -13.7911      1.00000
     36     -13.7616      1.00000
     37     -13.5813      1.00000
     38     -13.5327      1.00000
     39     -13.3217      1.00000
     40     -12.5835      1.00000
     41     -12.1745      1.00000
     42     -12.0997      1.00000
     43     -12.0335      1.00000
     44     -11.9887      1.00000
     45     -11.6556      1.00000
     46     -11.6207      1.00000
     47     -11.1369      1.00000
     48     -11.0821      1.00000
     49     -10.7794      1.00000
     50     -10.7031      1.00000
     51     -10.4032      1.00000
     52     -10.1923      1.00000
     53     -10.1664      1.00000
     54     -10.1257      1.00000
     55      -9.9932      1.00000
     56      -9.9816      1.00000
     57      -9.9397      1.00000
     58      -9.7932      1.00000
     59      -9.7704      1.00000
     60      -9.7402      1.00000
     61      -9.7204      1.00000
     62      -9.4361      1.00000
     63      -9.3346      1.00000
     64      -9.0880      1.00000
     65      -9.0442      1.00000
     66      -9.0015      1.00000
     67      -8.8907      1.00000
     68      -8.8244      1.00000
     69      -8.7074      1.00000
     70      -8.6651      1.00000
     71      -8.5658      1.00000
     72      -8.5058      1.00000
     73      -8.4708      1.00000
     74      -8.4371      1.00000
     75      -8.3315      1.00000
     76      -8.1974      1.00000
     77      -8.0660      1.00000
     78      -7.9798      1.00000
     79      -7.9083      1.00000
     80      -7.8799      1.00000
     81      -7.6947      1.00000
     82      -7.5610      1.00000
     83      -7.4921      1.00000
     84      -6.9786      1.00000
     85      -6.9092      1.00000
     86      -6.8590      1.00000
     87      -6.7405      1.00000
     88      -6.5197      1.00000
     89      -6.4671      1.00000
     90      -6.3780      1.00000
     91      -6.1924      1.00000
     92      -5.9288      1.00000
     93      -5.7952      1.00000
     94      -5.7497      1.00000
     95      -5.5567      1.00000
     96      -5.3750      1.00000
     97      -5.2430      1.00000
     98      -5.1952      1.00000
     99      -5.1813      1.00000
    100      -5.1202      1.00000
    101      -4.8091      1.00000
    102      -4.5410      1.00000
    103      -4.4596      1.00000
    104      -4.2456      1.00000
    105      -3.5588      1.00000
    106      -3.2886      1.00000
    107      -2.9368      0.00000
    108      -2.3424      0.00000
    109      -1.1823      0.00000
    110      -1.1632      0.00000
    111      -1.1131      0.00000
    112      -1.0585      0.00000
    113      -0.5027      0.00000
    114      -0.4559      0.00000
    115      -0.2962      0.00000
    116      -0.2721      0.00000
    117       0.0012      0.00000
    118       0.0358      0.00000
    119       0.5328      0.00000
    120       0.6436      0.00000
    121       0.8894      0.00000
    122       0.9862      0.00000
    123       1.1935      0.00000
    124       1.5416      0.00000
    125       1.7749      0.00000
    126       1.7949      0.00000
    127       2.0081      0.00000
    128       2.1333      0.00000
    129       2.1442      0.00000
    130       2.1538      0.00000
    131       2.2689      0.00000
    132       2.3151      0.00000
    133       2.3705      0.00000
    134       2.4666      0.00000
    135       2.6705      0.00000
    136       2.7559      0.00000
    137       2.8008      0.00000
    138       2.8808      0.00000
    139       2.9753      0.00000
    140       3.0185      0.00000
    141       3.0700      0.00000
    142       3.1264      0.00000
    143       3.1734      0.00000
    144       3.2502      0.00000
    145       3.2737      0.00000
    146       3.3057      0.00000
    147       3.3338      0.00000
    148       3.3539      0.00000
    149       3.4223      0.00000
    150       3.5476      0.00000
    151       3.6418      0.00000
    152       3.6851      0.00000
    153       3.7125      0.00000
    154       3.7191      0.00000
    155       3.7423      0.00000
    156       3.7997      0.00000
    157       3.9736      0.00000
    158       4.0731      0.00000
    159       4.1550      0.00000
    160       4.2802      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2578      1.00000
      2     -21.8995      1.00000
      3     -21.8617      1.00000
      4     -21.3373      1.00000
      5     -21.3013      1.00000
      6     -20.7813      1.00000
      7     -20.7433      1.00000
      8     -20.5770      1.00000
      9     -20.0464      1.00000
     10     -20.0107      1.00000
     11     -19.6798      1.00000
     12     -19.6445      1.00000
     13     -18.9672      1.00000
     14     -18.9297      1.00000
     15     -18.6118      1.00000
     16     -18.5741      1.00000
     17     -18.4163      1.00000
     18     -17.6316      1.00000
     19     -17.5859      1.00000
     20     -17.5651      1.00000
     21     -17.5481      1.00000
     22     -17.0973      1.00000
     23     -17.0545      1.00000
     24     -16.9375      1.00000
     25     -15.9807      1.00000
     26     -15.8692      1.00000
     27     -15.5659      1.00000
     28     -15.5272      1.00000
     29     -15.2308      1.00000
     30     -14.8484      1.00000
     31     -14.7905      1.00000
     32     -14.5367      1.00000
     33     -14.4994      1.00000
     34     -14.1282      1.00000
     35     -14.1158      1.00000
     36     -13.1553      1.00000
     37     -13.0482      1.00000
     38     -12.9951      1.00000
     39     -12.9753      1.00000
     40     -12.6985      1.00000
     41     -12.6533      1.00000
     42     -12.2962      1.00000
     43     -12.2783      1.00000
     44     -11.6190      1.00000
     45     -11.5860      1.00000
     46     -11.5253      1.00000
     47     -10.9216      1.00000
     48     -10.8963      1.00000
     49     -10.7112      1.00000
     50     -10.5650      1.00000
     51     -10.5337      1.00000
     52     -10.4660      1.00000
     53     -10.4244      1.00000
     54     -10.3656      1.00000
     55     -10.3137      1.00000
     56     -10.0334      1.00000
     57      -9.8692      1.00000
     58      -9.6004      1.00000
     59      -9.5210      1.00000
     60      -9.4528      1.00000
     61      -9.4040      1.00000
     62      -9.3709      1.00000
     63      -9.3402      1.00000
     64      -9.2966      1.00000
     65      -9.2449      1.00000
     66      -9.1343      1.00000
     67      -9.0878      1.00000
     68      -9.0711      1.00000
     69      -8.8500      1.00000
     70      -8.8329      1.00000
     71      -8.7022      1.00000
     72      -8.5591      1.00000
     73      -8.4367      1.00000
     74      -8.1970      1.00000
     75      -8.1702      1.00000
     76      -8.0392      1.00000
     77      -7.8665      1.00000
     78      -7.8026      1.00000
     79      -7.7692      1.00000
     80      -7.7173      1.00000
     81      -7.6784      1.00000
     82      -7.6407      1.00000
     83      -7.4464      1.00000
     84      -7.3070      1.00000
     85      -6.9172      1.00000
     86      -6.8887      1.00000
     87      -6.7761      1.00000
     88      -6.5568      1.00000
     89      -6.3873      1.00000
     90      -6.3224      1.00000
     91      -6.2773      1.00000
     92      -6.1696      1.00000
     93      -6.0672      1.00000
     94      -5.7830      1.00000
     95      -5.5310      1.00000
     96      -5.3556      1.00000
     97      -5.2030      1.00000
     98      -5.1760      1.00000
     99      -5.0296      1.00000
    100      -4.8133      1.00000
    101      -4.6689      1.00000
    102      -4.4944      1.00000
    103      -4.4329      1.00000
    104      -4.2369      1.00000
    105      -3.6315      1.00000
    106      -3.5498      1.00000
    107      -2.8424      0.00000
    108      -2.1346      0.00000
    109      -1.2453      0.00000
    110      -1.1882      0.00000
    111      -1.1772      0.00000
    112      -0.8841      0.00000
    113      -0.8667      0.00000
    114      -0.7853      0.00000
    115      -0.7521      0.00000
    116       0.1438      0.00000
    117       0.2448      0.00000
    118       0.3173      0.00000
    119       0.7258      0.00000
    120       0.8593      0.00000
    121       0.9374      0.00000
    122       1.1701      0.00000
    123       1.2670      0.00000
    124       1.5235      0.00000
    125       1.5928      0.00000
    126       1.7994      0.00000
    127       1.8864      0.00000
    128       1.8972      0.00000
    129       1.9776      0.00000
    130       2.0581      0.00000
    131       2.2300      0.00000
    132       2.3490      0.00000
    133       2.4398      0.00000
    134       2.4553      0.00000
    135       2.5785      0.00000
    136       2.6083      0.00000
    137       2.6646      0.00000
    138       2.7241      0.00000
    139       2.7678      0.00000
    140       2.9082      0.00000
    141       3.0567      0.00000
    142       3.1538      0.00000
    143       3.2101      0.00000
    144       3.2376      0.00000
    145       3.2519      0.00000
    146       3.2903      0.00000
    147       3.3594      0.00000
    148       3.4500      0.00000
    149       3.5633      0.00000
    150       3.6151      0.00000
    151       3.6968      0.00000
    152       3.7360      0.00000
    153       3.8669      0.00000
    154       3.9076      0.00000
    155       3.9457      0.00000
    156       3.9703      0.00000
    157       4.0286      0.00000
    158       4.0308      0.00000
    159       4.0439      0.00000
    160       4.0889      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3328      1.00000
      2     -21.7723      1.00000
      3     -21.5916      1.00000
      4     -21.5672      1.00000
      5     -21.2224      1.00000
      6     -21.1932      1.00000
      7     -21.0175      1.00000
      8     -20.1178      1.00000
      9     -20.0863      1.00000
     10     -19.5758      1.00000
     11     -19.5414      1.00000
     12     -19.3714      1.00000
     13     -19.0600      1.00000
     14     -19.0193      1.00000
     15     -19.0024      1.00000
     16     -18.9846      1.00000
     17     -18.3325      1.00000
     18     -18.3013      1.00000
     19     -17.9722      1.00000
     20     -17.0223      1.00000
     21     -16.9809      1.00000
     22     -16.9244      1.00000
     23     -16.8986      1.00000
     24     -16.4542      1.00000
     25     -16.4191      1.00000
     26     -15.5754      1.00000
     27     -15.5469      1.00000
     28     -15.2031      1.00000
     29     -15.1806      1.00000
     30     -15.1611      1.00000
     31     -15.0817      1.00000
     32     -15.0278      1.00000
     33     -14.6695      1.00000
     34     -14.6430      1.00000
     35     -13.7031      1.00000
     36     -13.6710      1.00000
     37     -13.2056      1.00000
     38     -12.6384      1.00000
     39     -12.5375      1.00000
     40     -12.4248      1.00000
     41     -12.4023      1.00000
     42     -12.0731      1.00000
     43     -12.0520      1.00000
     44     -11.6774      1.00000
     45     -11.6451      1.00000
     46     -11.2867      1.00000
     47     -11.1845      1.00000
     48     -10.9945      1.00000
     49     -10.9627      1.00000
     50     -10.8882      1.00000
     51     -10.8556      1.00000
     52     -10.5612      1.00000
     53     -10.2049      1.00000
     54     -10.1151      1.00000
     55     -10.0577      1.00000
     56      -9.8891      1.00000
     57      -9.6618      1.00000
     58      -9.6613      1.00000
     59      -9.6254      1.00000
     60      -9.6000      1.00000
     61      -9.5325      1.00000
     62      -9.4731      1.00000
     63      -9.3117      1.00000
     64      -9.2632      1.00000
     65      -9.2215      1.00000
     66      -9.1924      1.00000
     67      -9.0940      1.00000
     68      -9.0899      1.00000
     69      -9.0675      1.00000
     70      -8.9018      1.00000
     71      -8.8388      1.00000
     72      -8.5732      1.00000
     73      -8.5593      1.00000
     74      -8.1702      1.00000
     75      -8.0104      1.00000
     76      -7.9484      1.00000
     77      -7.8829      1.00000
     78      -7.7763      1.00000
     79      -7.7269      1.00000
     80      -7.7121      1.00000
     81      -7.4011      1.00000
     82      -7.2808      1.00000
     83      -7.2438      1.00000
     84      -7.2176      1.00000
     85      -7.1529      1.00000
     86      -6.9683      1.00000
     87      -6.8568      1.00000
     88      -6.6929      1.00000
     89      -6.6615      1.00000
     90      -6.5844      1.00000
     91      -6.1587      1.00000
     92      -6.0859      1.00000
     93      -6.0723      1.00000
     94      -5.9090      1.00000
     95      -5.8813      1.00000
     96      -5.3768      1.00000
     97      -5.1888      1.00000
     98      -4.8718      1.00000
     99      -4.8568      1.00000
    100      -4.6457      1.00000
    101      -4.5249      1.00000
    102      -4.3909      1.00000
    103      -4.2662      1.00000
    104      -4.0638      1.00000
    105      -4.0386      1.00000
    106      -3.5686      1.00000
    107      -2.8636      0.00000
    108      -1.7035      0.00000
    109      -1.6980      0.00000
    110      -1.3066      0.00000
    111      -1.2602      0.00000
    112      -1.2294      0.00000
    113      -1.2278      0.00000
    114      -0.5655      0.00000
    115      -0.2538      0.00000
    116      -0.1140      0.00000
    117       0.5866      0.00000
    118       0.6784      0.00000
    119       0.8088      0.00000
    120       0.9590      0.00000
    121       1.1408      0.00000
    122       1.2062      0.00000
    123       1.2862      0.00000
    124       1.4641      0.00000
    125       1.6253      0.00000
    126       1.6932      0.00000
    127       1.7824      0.00000
    128       1.7885      0.00000
    129       1.9125      0.00000
    130       1.9418      0.00000
    131       2.1881      0.00000
    132       2.2004      0.00000
    133       2.2453      0.00000
    134       2.4755      0.00000
    135       2.5177      0.00000
    136       2.6134      0.00000
    137       2.6436      0.00000
    138       2.7109      0.00000
    139       2.8344      0.00000
    140       2.8458      0.00000
    141       2.8615      0.00000
    142       2.9681      0.00000
    143       2.9878      0.00000
    144       3.0349      0.00000
    145       3.1580      0.00000
    146       3.3640      0.00000
    147       3.3882      0.00000
    148       3.4342      0.00000
    149       3.5968      0.00000
    150       3.6307      0.00000
    151       3.6402      0.00000
    152       3.6883      0.00000
    153       3.8044      0.00000
    154       3.8218      0.00000
    155       4.0231      0.00000
    156       4.0398      0.00000
    157       4.0669      0.00000
    158       4.1469      0.00000
    159       4.2514      0.00000
    160       4.3649      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1158      1.00000
      2     -22.1004      1.00000
      3     -21.9148      1.00000
      4     -21.3576      1.00000
      5     -20.9909      1.00000
      6     -20.9786      1.00000
      7     -20.4395      1.00000
      8     -20.4251      1.00000
      9     -20.2457      1.00000
     10     -20.2440      1.00000
     11     -19.8867      1.00000
     12     -19.8736      1.00000
     13     -18.8207      1.00000
     14     -18.7950      1.00000
     15     -18.2826      1.00000
     16     -18.2757      1.00000
     17     -18.1115      1.00000
     18     -18.1047      1.00000
     19     -17.7646      1.00000
     20     -17.7593      1.00000
     21     -17.2287      1.00000
     22     -17.2007      1.00000
     23     -17.1134      1.00000
     24     -17.0986      1.00000
     25     -16.0899      1.00000
     26     -15.8311      1.00000
     27     -15.8209      1.00000
     28     -15.8046      1.00000
     29     -15.1820      1.00000
     30     -14.5113      1.00000
     31     -14.4973      1.00000
     32     -14.2272      1.00000
     33     -13.9616      1.00000
     34     -13.9246      1.00000
     35     -13.7876      1.00000
     36     -13.7766      1.00000
     37     -13.5587      1.00000
     38     -13.5385      1.00000
     39     -13.3281      1.00000
     40     -12.6088      1.00000
     41     -12.1295      1.00000
     42     -12.1175      1.00000
     43     -12.0060      1.00000
     44     -11.9895      1.00000
     45     -11.6502      1.00000
     46     -11.6347      1.00000
     47     -11.1386      1.00000
     48     -11.1016      1.00000
     49     -10.7594      1.00000
     50     -10.7021      1.00000
     51     -10.4408      1.00000
     52     -10.1714      1.00000
     53     -10.1641      1.00000
     54     -10.1478      1.00000
     55     -10.0010      1.00000
     56      -9.9624      1.00000
     57      -9.9355      1.00000
     58      -9.8126      1.00000
     59      -9.7632      1.00000
     60      -9.7424      1.00000
     61      -9.7274      1.00000
     62      -9.4321      1.00000
     63      -9.3313      1.00000
     64      -9.0759      1.00000
     65      -9.0393      1.00000
     66      -8.9680      1.00000
     67      -8.9398      1.00000
     68      -8.7999      1.00000
     69      -8.6813      1.00000
     70      -8.6654      1.00000
     71      -8.5475      1.00000
     72      -8.5144      1.00000
     73      -8.4429      1.00000
     74      -8.4365      1.00000
     75      -8.2991      1.00000
     76      -8.2302      1.00000
     77      -8.1107      1.00000
     78      -8.0477      1.00000
     79      -8.0227      1.00000
     80      -7.7881      1.00000
     81      -7.6006      1.00000
     82      -7.5918      1.00000
     83      -7.4606      1.00000
     84      -7.0006      1.00000
     85      -6.9473      1.00000
     86      -6.8601      1.00000
     87      -6.5738      1.00000
     88      -6.5413      1.00000
     89      -6.4599      1.00000
     90      -6.4061      1.00000
     91      -6.3306      1.00000
     92      -5.9842      1.00000
     93      -5.7679      1.00000
     94      -5.7266      1.00000
     95      -5.5594      1.00000
     96      -5.3779      1.00000
     97      -5.2036      1.00000
     98      -5.1977      1.00000
     99      -5.1766      1.00000
    100      -5.1553      1.00000
    101      -4.6483      1.00000
    102      -4.5029      1.00000
    103      -4.4439      1.00000
    104      -4.3854      1.00000
    105      -3.5750      1.00000
    106      -3.4306      1.00000
    107      -2.7311      0.00000
    108      -2.4073      0.00000
    109      -1.1653      0.00000
    110      -1.1554      0.00000
    111      -1.1461      0.00000
    112      -1.0513      0.00000
    113      -0.4880      0.00000
    114      -0.4772      0.00000
    115      -0.3228      0.00000
    116      -0.2465      0.00000
    117       0.0070      0.00000
    118       0.0091      0.00000
    119       0.5228      0.00000
    120       0.6651      0.00000
    121       0.8266      0.00000
    122       1.0105      0.00000
    123       1.2497      0.00000
    124       1.5142      0.00000
    125       1.7721      0.00000
    126       1.9624      0.00000
    127       1.9706      0.00000
    128       2.0336      0.00000
    129       2.1345      0.00000
    130       2.1810      0.00000
    131       2.2903      0.00000
    132       2.2960      0.00000
    133       2.3724      0.00000
    134       2.5645      0.00000
    135       2.6395      0.00000
    136       2.6923      0.00000
    137       2.8567      0.00000
    138       2.8962      0.00000
    139       2.9697      0.00000
    140       3.0175      0.00000
    141       3.1395      0.00000
    142       3.1506      0.00000
    143       3.1553      0.00000
    144       3.1887      0.00000
    145       3.2506      0.00000
    146       3.2578      0.00000
    147       3.3432      0.00000
    148       3.3565      0.00000
    149       3.4352      0.00000
    150       3.4536      0.00000
    151       3.5261      0.00000
    152       3.6567      0.00000
    153       3.6984      0.00000
    154       3.7224      0.00000
    155       3.8494      0.00000
    156       3.9198      0.00000
    157       3.9772      0.00000
    158       4.0098      0.00000
    159       4.1324      0.00000
    160       4.2250      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2202      1.00000
      2     -22.0323      1.00000
      3     -21.6673      1.00000
      4     -21.6419      1.00000
      5     -20.9266      1.00000
      6     -20.8964      1.00000
      7     -20.5570      1.00000
      8     -20.5370      1.00000
      9     -20.5264      1.00000
     10     -19.9899      1.00000
     11     -19.4658      1.00000
     12     -19.4329      1.00000
     13     -19.2803      1.00000
     14     -19.2526      1.00000
     15     -18.3981      1.00000
     16     -18.3664      1.00000
     17     -17.8965      1.00000
     18     -17.8641      1.00000
     19     -17.7134      1.00000
     20     -17.6793      1.00000
     21     -17.4117      1.00000
     22     -17.3806      1.00000
     23     -17.2929      1.00000
     24     -16.4535      1.00000
     25     -16.4142      1.00000
     26     -15.9344      1.00000
     27     -15.3785      1.00000
     28     -15.3507      1.00000
     29     -15.0669      1.00000
     30     -15.0375      1.00000
     31     -14.8091      1.00000
     32     -14.7873      1.00000
     33     -14.2844      1.00000
     34     -14.2130      1.00000
     35     -13.4417      1.00000
     36     -13.3588      1.00000
     37     -13.1517      1.00000
     38     -13.1203      1.00000
     39     -12.9593      1.00000
     40     -12.9288      1.00000
     41     -12.5857      1.00000
     42     -12.5587      1.00000
     43     -12.1718      1.00000
     44     -11.5349      1.00000
     45     -11.4986      1.00000
     46     -11.2736      1.00000
     47     -11.2446      1.00000
     48     -11.1288      1.00000
     49     -10.7656      1.00000
     50     -10.6256      1.00000
     51     -10.4488      1.00000
     52     -10.2801      1.00000
     53     -10.2729      1.00000
     54     -10.1649      1.00000
     55     -10.0886      1.00000
     56     -10.0560      1.00000
     57      -9.8034      1.00000
     58      -9.7026      1.00000
     59      -9.6894      1.00000
     60      -9.6815      1.00000
     61      -9.6689      1.00000
     62      -9.6031      1.00000
     63      -9.3426      1.00000
     64      -9.3149      1.00000
     65      -9.2874      1.00000
     66      -8.9673      1.00000
     67      -8.9276      1.00000
     68      -8.8782      1.00000
     69      -8.7464      1.00000
     70      -8.5604      1.00000
     71      -8.4820      1.00000
     72      -8.3988      1.00000
     73      -8.3590      1.00000
     74      -8.2850      1.00000
     75      -8.2389      1.00000
     76      -8.2240      1.00000
     77      -8.2098      1.00000
     78      -8.1933      1.00000
     79      -7.9965      1.00000
     80      -7.7780      1.00000
     81      -7.4126      1.00000
     82      -7.3159      1.00000
     83      -7.2374      1.00000
     84      -7.1387      1.00000
     85      -7.0944      1.00000
     86      -6.9554      1.00000
     87      -6.9080      1.00000
     88      -6.5853      1.00000
     89      -6.5560      1.00000
     90      -6.4347      1.00000
     91      -6.2478      1.00000
     92      -5.9024      1.00000
     93      -5.8220      1.00000
     94      -5.6736      1.00000
     95      -5.5830      1.00000
     96      -5.2935      1.00000
     97      -5.2594      1.00000
     98      -5.1825      1.00000
     99      -5.1821      1.00000
    100      -5.1593      1.00000
    101      -4.5238      1.00000
    102      -4.4570      1.00000
    103      -4.3985      1.00000
    104      -4.0752      1.00000
    105      -3.9273      1.00000
    106      -3.5213      1.00000
    107      -2.8131      0.00000
    108      -1.8040      0.00000
    109      -1.7924      0.00000
    110      -1.0762      0.00000
    111      -1.0096      0.00000
    112      -0.9260      0.00000
    113      -0.6542      0.00000
    114      -0.6045      0.00000
    115      -0.5688      0.00000
    116      -0.5274      0.00000
    117       0.1606      0.00000
    118       0.2640      0.00000
    119       0.7166      0.00000
    120       0.9778      0.00000
    121       1.0979      0.00000
    122       1.2566      0.00000
    123       1.4329      0.00000
    124       1.5380      0.00000
    125       1.6070      0.00000
    126       1.6420      0.00000
    127       1.6497      0.00000
    128       1.8520      0.00000
    129       1.9421      0.00000
    130       2.1256      0.00000
    131       2.2257      0.00000
    132       2.3549      0.00000
    133       2.3751      0.00000
    134       2.4734      0.00000
    135       2.6089      0.00000
    136       2.6676      0.00000
    137       2.7538      0.00000
    138       2.7559      0.00000
    139       2.8695      0.00000
    140       2.9764      0.00000
    141       3.0696      0.00000
    142       3.0799      0.00000
    143       3.1992      0.00000
    144       3.2978      0.00000
    145       3.3417      0.00000
    146       3.3585      0.00000
    147       3.4977      0.00000
    148       3.5378      0.00000
    149       3.5689      0.00000
    150       3.6045      0.00000
    151       3.6268      0.00000
    152       3.7021      0.00000
    153       3.7465      0.00000
    154       3.7946      0.00000
    155       3.7981      0.00000
    156       3.8657      0.00000
    157       3.9399      0.00000
    158       4.0329      0.00000
    159       4.0526      0.00000
    160       4.2994      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3704      1.00000
      2     -21.5017      1.00000
      3     -21.4293      1.00000
      4     -21.4291      1.00000
      5     -21.4167      1.00000
      6     -21.4053      1.00000
      7     -21.4030      1.00000
      8     -19.6640      1.00000
      9     -19.5952      1.00000
     10     -19.5907      1.00000
     11     -19.5780      1.00000
     12     -19.5670      1.00000
     13     -19.5633      1.00000
     14     -18.7646      1.00000
     15     -18.7023      1.00000
     16     -18.6941      1.00000
     17     -18.6810      1.00000
     18     -18.6725      1.00000
     19     -18.6676      1.00000
     20     -16.6289      1.00000
     21     -16.5478      1.00000
     22     -16.5431      1.00000
     23     -16.5328      1.00000
     24     -16.5255      1.00000
     25     -16.5216      1.00000
     26     -15.6062      1.00000
     27     -15.5641      1.00000
     28     -15.5220      1.00000
     29     -15.5208      1.00000
     30     -15.5167      1.00000
     31     -15.5135      1.00000
     32     -14.2544      1.00000
     33     -14.2195      1.00000
     34     -14.1937      1.00000
     35     -14.1932      1.00000
     36     -14.1739      1.00000
     37     -14.1691      1.00000
     38     -11.9835      1.00000
     39     -11.8710      1.00000
     40     -11.8226      1.00000
     41     -11.8079      1.00000
     42     -11.8070      1.00000
     43     -11.8013      1.00000
     44     -11.7278      1.00000
     45     -11.7208      1.00000
     46     -11.7054      1.00000
     47     -11.6969      1.00000
     48     -11.6868      1.00000
     49     -11.6802      1.00000
     50     -10.6427      1.00000
     51     -10.3737      1.00000
     52     -10.3562      1.00000
     53     -10.3356      1.00000
     54     -10.3266      1.00000
     55     -10.3181      1.00000
     56     -10.2941      1.00000
     57      -9.7900      1.00000
     58      -9.4097      1.00000
     59      -9.3886      1.00000
     60      -9.3520      1.00000
     61      -9.3408      1.00000
     62      -9.3320      1.00000
     63      -9.1759      1.00000
     64      -9.0764      1.00000
     65      -9.0746      1.00000
     66      -9.0621      1.00000
     67      -9.0597      1.00000
     68      -9.0312      1.00000
     69      -9.0274      1.00000
     70      -9.0251      1.00000
     71      -9.0124      1.00000
     72      -9.0034      1.00000
     73      -8.9927      1.00000
     74      -8.9713      1.00000
     75      -7.9895      1.00000
     76      -7.6992      1.00000
     77      -7.5051      1.00000
     78      -7.4854      1.00000
     79      -7.4589      1.00000
     80      -7.4113      1.00000
     81      -7.3956      1.00000
     82      -7.3767      1.00000
     83      -7.3468      1.00000
     84      -7.2226      1.00000
     85      -7.1813      1.00000
     86      -7.1763      1.00000
     87      -7.1723      1.00000
     88      -6.6142      1.00000
     89      -6.5766      1.00000
     90      -6.3650      1.00000
     91      -6.3557      1.00000
     92      -6.3160      1.00000
     93      -6.2917      1.00000
     94      -5.9425      1.00000
     95      -5.8924      1.00000
     96      -5.3629      1.00000
     97      -5.1908      1.00000
     98      -4.8384      1.00000
     99      -4.7177      1.00000
    100      -4.3649      1.00000
    101      -4.3567      1.00000
    102      -4.3456      1.00000
    103      -4.3332      1.00000
    104      -4.1681      1.00000
    105      -3.9326      1.00000
    106      -3.5973      1.00000
    107      -2.9193      0.00000
    108      -1.5524      0.00000
    109      -1.5484      0.00000
    110      -1.5366      0.00000
    111      -1.5363      0.00000
    112      -1.4785      0.00000
    113      -1.4618      0.00000
    114       0.0774      0.00000
    115       0.2375      0.00000
    116       0.2818      0.00000
    117       0.3027      0.00000
    118       0.3073      0.00000
    119       0.3744      0.00000
    120       0.6199      0.00000
    121       1.2695      0.00000
    122       1.3811      0.00000
    123       1.7077      0.00000
    124       1.7587      0.00000
    125       1.7894      0.00000
    126       1.7951      0.00000
    127       1.8574      0.00000
    128       1.8751      0.00000
    129       2.0030      0.00000
    130       2.0050      0.00000
    131       2.0174      0.00000
    132       2.0238      0.00000
    133       2.0240      0.00000
    134       2.0918      0.00000
    135       2.3236      0.00000
    136       2.4680      0.00000
    137       2.5785      0.00000
    138       2.6166      0.00000
    139       2.6543      0.00000
    140       2.7408      0.00000
    141       2.8733      0.00000
    142       3.0435      0.00000
    143       3.0827      0.00000
    144       3.0887      0.00000
    145       3.0893      0.00000
    146       3.0941      0.00000
    147       3.0975      0.00000
    148       3.4606      0.00000
    149       3.5493      0.00000
    150       3.5985      0.00000
    151       3.9414      0.00000
    152       3.9558      0.00000
    153       3.9711      0.00000
    154       3.9730      0.00000
    155       3.9818      0.00000
    156       4.0604      0.00000
    157       4.1621      0.00000
    158       4.2126      0.00000
    159       4.2627      0.00000
    160       4.2801      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3329      1.00000
      2     -21.7704      1.00000
      3     -21.5959      1.00000
      4     -21.5656      1.00000
      5     -21.2205      1.00000
      6     -21.1930      1.00000
      7     -21.0191      1.00000
      8     -20.1180      1.00000
      9     -20.0860      1.00000
     10     -19.5707      1.00000
     11     -19.5433      1.00000
     12     -19.3769      1.00000
     13     -19.0488      1.00000
     14     -19.0178      1.00000
     15     -19.0038      1.00000
     16     -18.9930      1.00000
     17     -18.3270      1.00000
     18     -18.3024      1.00000
     19     -17.9802      1.00000
     20     -17.0340      1.00000
     21     -16.9830      1.00000
     22     -16.9170      1.00000
     23     -16.8969      1.00000
     24     -16.4359      1.00000
     25     -16.4136      1.00000
     26     -15.5884      1.00000
     27     -15.5561      1.00000
     28     -15.2341      1.00000
     29     -15.1944      1.00000
     30     -15.1311      1.00000
     31     -15.0568      1.00000
     32     -15.0281      1.00000
     33     -14.6678      1.00000
     34     -14.6492      1.00000
     35     -13.7048      1.00000
     36     -13.6790      1.00000
     37     -13.2010      1.00000
     38     -12.5972      1.00000
     39     -12.5402      1.00000
     40     -12.4183      1.00000
     41     -12.4024      1.00000
     42     -12.1092      1.00000
     43     -12.0673      1.00000
     44     -11.6948      1.00000
     45     -11.6456      1.00000
     46     -11.2327      1.00000
     47     -11.1892      1.00000
     48     -11.0067      1.00000
     49     -10.9705      1.00000
     50     -10.9081      1.00000
     51     -10.8646      1.00000
     52     -10.5288      1.00000
     53     -10.1271      1.00000
     54     -10.1218      1.00000
     55     -10.0797      1.00000
     56      -9.9177      1.00000
     57      -9.7059      1.00000
     58      -9.6694      1.00000
     59      -9.6108      1.00000
     60      -9.5816      1.00000
     61      -9.5420      1.00000
     62      -9.4785      1.00000
     63      -9.2948      1.00000
     64      -9.2755      1.00000
     65      -9.2276      1.00000
     66      -9.1743      1.00000
     67      -9.1094      1.00000
     68      -9.0751      1.00000
     69      -9.0637      1.00000
     70      -8.9042      1.00000
     71      -8.8443      1.00000
     72      -8.6014      1.00000
     73      -8.5654      1.00000
     74      -8.1230      1.00000
     75      -8.0439      1.00000
     76      -7.9502      1.00000
     77      -7.8291      1.00000
     78      -7.7914      1.00000
     79      -7.7286      1.00000
     80      -7.6918      1.00000
     81      -7.3477      1.00000
     82      -7.3337      1.00000
     83      -7.3260      1.00000
     84      -7.2691      1.00000
     85      -7.0650      1.00000
     86      -6.9804      1.00000
     87      -6.8247      1.00000
     88      -6.7496      1.00000
     89      -6.6419      1.00000
     90      -6.5631      1.00000
     91      -6.1373      1.00000
     92      -6.1043      1.00000
     93      -6.0922      1.00000
     94      -5.9649      1.00000
     95      -5.7335      1.00000
     96      -5.3983      1.00000
     97      -5.2058      1.00000
     98      -4.9382      1.00000
     99      -4.7999      1.00000
    100      -4.6371      1.00000
    101      -4.5377      1.00000
    102      -4.4863      1.00000
    103      -4.3652      1.00000
    104      -4.0442      1.00000
    105      -3.8140      1.00000
    106      -3.5742      1.00000
    107      -2.9414      0.00000
    108      -1.7180      0.00000
    109      -1.6747      0.00000
    110      -1.2927      0.00000
    111      -1.2711      0.00000
    112      -1.2447      0.00000
    113      -1.2122      0.00000
    114      -0.5595      0.00000
    115      -0.1900      0.00000
    116      -0.1695      0.00000
    117       0.6316      0.00000
    118       0.6812      0.00000
    119       0.7274      0.00000
    120       0.9866      0.00000
    121       1.1175      0.00000
    122       1.2415      0.00000
    123       1.3468      0.00000
    124       1.4552      0.00000
    125       1.5009      0.00000
    126       1.7478      0.00000
    127       1.7704      0.00000
    128       1.8019      0.00000
    129       1.8593      0.00000
    130       1.9527      0.00000
    131       2.1780      0.00000
    132       2.2188      0.00000
    133       2.2788      0.00000
    134       2.4320      0.00000
    135       2.5102      0.00000
    136       2.6271      0.00000
    137       2.6966      0.00000
    138       2.7005      0.00000
    139       2.7874      0.00000
    140       2.8191      0.00000
    141       2.8612      0.00000
    142       2.8632      0.00000
    143       3.0039      0.00000
    144       3.0800      0.00000
    145       3.2892      0.00000
    146       3.3704      0.00000
    147       3.3787      0.00000
    148       3.4474      0.00000
    149       3.5400      0.00000
    150       3.6128      0.00000
    151       3.6647      0.00000
    152       3.7341      0.00000
    153       3.7751      0.00000
    154       3.9429      0.00000
    155       3.9674      0.00000
    156       4.0582      0.00000
    157       4.0981      0.00000
    158       4.1784      0.00000
    159       4.2550      0.00000
    160       4.2793      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2213      1.00000
      2     -22.0299      1.00000
      3     -21.6702      1.00000
      4     -21.6405      1.00000
      5     -20.9266      1.00000
      6     -20.8960      1.00000
      7     -20.5664      1.00000
      8     -20.5316      1.00000
      9     -20.5228      1.00000
     10     -19.9902      1.00000
     11     -19.4650      1.00000
     12     -19.4354      1.00000
     13     -19.2732      1.00000
     14     -19.2526      1.00000
     15     -18.4046      1.00000
     16     -18.3670      1.00000
     17     -17.8945      1.00000
     18     -17.8636      1.00000
     19     -17.7161      1.00000
     20     -17.6818      1.00000
     21     -17.4073      1.00000
     22     -17.3817      1.00000
     23     -17.3041      1.00000
     24     -16.4312      1.00000
     25     -16.4110      1.00000
     26     -15.9166      1.00000
     27     -15.3875      1.00000
     28     -15.3582      1.00000
     29     -15.0712      1.00000
     30     -15.0444      1.00000
     31     -14.8367      1.00000
     32     -14.8025      1.00000
     33     -14.2526      1.00000
     34     -14.2147      1.00000
     35     -13.4110      1.00000
     36     -13.3610      1.00000
     37     -13.1589      1.00000
     38     -13.1296      1.00000
     39     -12.9352      1.00000
     40     -12.9254      1.00000
     41     -12.6015      1.00000
     42     -12.5693      1.00000
     43     -12.1689      1.00000
     44     -11.5620      1.00000
     45     -11.5014      1.00000
     46     -11.2994      1.00000
     47     -11.2483      1.00000
     48     -11.1205      1.00000
     49     -10.6799      1.00000
     50     -10.6323      1.00000
     51     -10.4467      1.00000
     52     -10.2870      1.00000
     53     -10.2741      1.00000
     54     -10.1588      1.00000
     55     -10.0833      1.00000
     56     -10.0696      1.00000
     57      -9.7877      1.00000
     58      -9.7389      1.00000
     59      -9.6937      1.00000
     60      -9.6723      1.00000
     61      -9.6597      1.00000
     62      -9.5968      1.00000
     63      -9.3368      1.00000
     64      -9.3206      1.00000
     65      -9.2853      1.00000
     66      -9.0281      1.00000
     67      -8.9325      1.00000
     68      -8.8412      1.00000
     69      -8.7604      1.00000
     70      -8.5906      1.00000
     71      -8.4942      1.00000
     72      -8.3694      1.00000
     73      -8.3629      1.00000
     74      -8.3027      1.00000
     75      -8.2432      1.00000
     76      -8.2422      1.00000
     77      -8.2218      1.00000
     78      -8.1948      1.00000
     79      -7.8751      1.00000
     80      -7.7443      1.00000
     81      -7.3703      1.00000
     82      -7.3147      1.00000
     83      -7.2987      1.00000
     84      -7.2064      1.00000
     85      -7.1796      1.00000
     86      -6.9484      1.00000
     87      -6.9302      1.00000
     88      -6.5919      1.00000
     89      -6.5385      1.00000
     90      -6.2639      1.00000
     91      -6.2015      1.00000
     92      -5.9810      1.00000
     93      -5.8147      1.00000
     94      -5.6682      1.00000
     95      -5.5139      1.00000
     96      -5.3297      1.00000
     97      -5.3049      1.00000
     98      -5.1915      1.00000
     99      -5.1896      1.00000
    100      -5.1056      1.00000
    101      -4.6902      1.00000
    102      -4.5513      1.00000
    103      -4.4532      1.00000
    104      -3.9140      1.00000
    105      -3.7076      1.00000
    106      -3.5391      1.00000
    107      -2.9636      0.00000
    108      -1.8166      0.00000
    109      -1.7611      0.00000
    110      -1.0852      0.00000
    111      -0.9703      0.00000
    112      -0.9410      0.00000
    113      -0.6469      0.00000
    114      -0.6039      0.00000
    115      -0.5683      0.00000
    116      -0.5308      0.00000
    117       0.1763      0.00000
    118       0.2574      0.00000
    119       0.7950      0.00000
    120       1.0104      0.00000
    121       1.1177      0.00000
    122       1.1691      0.00000
    123       1.3593      0.00000
    124       1.4857      0.00000
    125       1.5933      0.00000
    126       1.5972      0.00000
    127       1.6985      0.00000
    128       1.9182      0.00000
    129       1.9582      0.00000
    130       2.0397      0.00000
    131       2.1997      0.00000
    132       2.3472      0.00000
    133       2.3920      0.00000
    134       2.4191      0.00000
    135       2.6064      0.00000
    136       2.6927      0.00000
    137       2.7507      0.00000
    138       2.7867      0.00000
    139       2.8558      0.00000
    140       3.0111      0.00000
    141       3.0599      0.00000
    142       3.0994      0.00000
    143       3.1469      0.00000
    144       3.2725      0.00000
    145       3.3342      0.00000
    146       3.4074      0.00000
    147       3.4755      0.00000
    148       3.5482      0.00000
    149       3.5909      0.00000
    150       3.6092      0.00000
    151       3.6900      0.00000
    152       3.7179      0.00000
    153       3.7820      0.00000
    154       3.7978      0.00000
    155       3.8052      0.00000
    156       3.9524      0.00000
    157       3.9683      0.00000
    158       4.0495      0.00000
    159       4.2025      0.00000
    160       4.2641      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2583      1.00000
      2     -21.8864      1.00000
      3     -21.8747      1.00000
      4     -21.3257      1.00000
      5     -21.3132      1.00000
      6     -20.7693      1.00000
      7     -20.7555      1.00000
      8     -20.5775      1.00000
      9     -20.0286      1.00000
     10     -20.0261      1.00000
     11     -19.6709      1.00000
     12     -19.6558      1.00000
     13     -18.9473      1.00000
     14     -18.9472      1.00000
     15     -18.5921      1.00000
     16     -18.5909      1.00000
     17     -18.4174      1.00000
     18     -17.6420      1.00000
     19     -17.5863      1.00000
     20     -17.5645      1.00000
     21     -17.5603      1.00000
     22     -17.0731      1.00000
     23     -17.0707      1.00000
     24     -16.9187      1.00000
     25     -15.9523      1.00000
     26     -15.9026      1.00000
     27     -15.5472      1.00000
     28     -15.5303      1.00000
     29     -15.2673      1.00000
     30     -14.8168      1.00000
     31     -14.7930      1.00000
     32     -14.5400      1.00000
     33     -14.5104      1.00000
     34     -14.1293      1.00000
     35     -14.1265      1.00000
     36     -13.1040      1.00000
     37     -13.0407      1.00000
     38     -13.0183      1.00000
     39     -12.9862      1.00000
     40     -12.6755      1.00000
     41     -12.6737      1.00000
     42     -12.2862      1.00000
     43     -12.2805      1.00000
     44     -11.6517      1.00000
     45     -11.5977      1.00000
     46     -11.5380      1.00000
     47     -10.9385      1.00000
     48     -10.8903      1.00000
     49     -10.6366      1.00000
     50     -10.5968      1.00000
     51     -10.4739      1.00000
     52     -10.4627      1.00000
     53     -10.4056      1.00000
     54     -10.4022      1.00000
     55     -10.3149      1.00000
     56     -10.0384      1.00000
     57      -9.8751      1.00000
     58      -9.5851      1.00000
     59      -9.5222      1.00000
     60      -9.5014      1.00000
     61      -9.3769      1.00000
     62      -9.3710      1.00000
     63      -9.3404      1.00000
     64      -9.2937      1.00000
     65      -9.2402      1.00000
     66      -9.1692      1.00000
     67      -9.1252      1.00000
     68      -9.0812      1.00000
     69      -8.8433      1.00000
     70      -8.8228      1.00000
     71      -8.6805      1.00000
     72      -8.5739      1.00000
     73      -8.4184      1.00000
     74      -8.1982      1.00000
     75      -8.1512      1.00000
     76      -7.9748      1.00000
     77      -7.8826      1.00000
     78      -7.8201      1.00000
     79      -7.7928      1.00000
     80      -7.7652      1.00000
     81      -7.6759      1.00000
     82      -7.6203      1.00000
     83      -7.4092      1.00000
     84      -7.3497      1.00000
     85      -6.8984      1.00000
     86      -6.8901      1.00000
     87      -6.7317      1.00000
     88      -6.6459      1.00000
     89      -6.4087      1.00000
     90      -6.3304      1.00000
     91      -6.2874      1.00000
     92      -6.1826      1.00000
     93      -5.9714      1.00000
     94      -5.5797      1.00000
     95      -5.4789      1.00000
     96      -5.4113      1.00000
     97      -5.3705      1.00000
     98      -5.1937      1.00000
     99      -5.1045      1.00000
    100      -4.7526      1.00000
    101      -4.7028      1.00000
    102      -4.5711      1.00000
    103      -4.4212      1.00000
    104      -4.2014      1.00000
    105      -3.5578      1.00000
    106      -3.3944      1.00000
    107      -3.0467      0.00000
    108      -2.1015      0.00000
    109      -1.2437      0.00000
    110      -1.2039      0.00000
    111      -1.1746      0.00000
    112      -0.9319      0.00000
    113      -0.8325      0.00000
    114      -0.7840      0.00000
    115      -0.7010      0.00000
    116       0.1973      0.00000
    117       0.2034      0.00000
    118       0.3067      0.00000
    119       0.7737      0.00000
    120       0.8236      0.00000
    121       0.9132      0.00000
    122       1.1244      0.00000
    123       1.3328      0.00000
    124       1.5105      0.00000
    125       1.5947      0.00000
    126       1.8092      0.00000
    127       1.8367      0.00000
    128       1.8822      0.00000
    129       1.9722      0.00000
    130       2.0006      0.00000
    131       2.2576      0.00000
    132       2.4017      0.00000
    133       2.4334      0.00000
    134       2.4522      0.00000
    135       2.5578      0.00000
    136       2.5946      0.00000
    137       2.6337      0.00000
    138       2.7241      0.00000
    139       2.7351      0.00000
    140       2.9691      0.00000
    141       3.0700      0.00000
    142       3.1374      0.00000
    143       3.2050      0.00000
    144       3.2493      0.00000
    145       3.2538      0.00000
    146       3.3152      0.00000
    147       3.3628      0.00000
    148       3.5289      0.00000
    149       3.5298      0.00000
    150       3.6306      0.00000
    151       3.6985      0.00000
    152       3.7638      0.00000
    153       3.8174      0.00000
    154       3.9314      0.00000
    155       3.9898      0.00000
    156       4.0076      0.00000
    157       4.0086      0.00000
    158       4.0313      0.00000
    159       4.0391      0.00000
    160       4.1476      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1263      1.00000
      2     -22.0879      1.00000
      3     -21.9167      1.00000
      4     -21.3573      1.00000
      5     -21.0028      1.00000
      6     -20.9666      1.00000
      7     -20.4512      1.00000
      8     -20.4130      1.00000
      9     -20.2601      1.00000
     10     -20.2299      1.00000
     11     -19.8990      1.00000
     12     -19.8614      1.00000
     13     -18.8263      1.00000
     14     -18.7829      1.00000
     15     -18.3107      1.00000
     16     -18.2599      1.00000
     17     -18.1203      1.00000
     18     -18.0905      1.00000
     19     -17.7844      1.00000
     20     -17.7450      1.00000
     21     -17.2248      1.00000
     22     -17.1926      1.00000
     23     -17.1314      1.00000
     24     -17.0923      1.00000
     25     -16.0568      1.00000
     26     -15.8579      1.00000
     27     -15.8207      1.00000
     28     -15.7877      1.00000
     29     -15.2081      1.00000
     30     -14.5291      1.00000
     31     -14.4832      1.00000
     32     -14.2524      1.00000
     33     -13.9291      1.00000
     34     -13.9169      1.00000
     35     -13.7911      1.00000
     36     -13.7616      1.00000
     37     -13.5813      1.00000
     38     -13.5327      1.00000
     39     -13.3217      1.00000
     40     -12.5835      1.00000
     41     -12.1745      1.00000
     42     -12.0997      1.00000
     43     -12.0335      1.00000
     44     -11.9887      1.00000
     45     -11.6556      1.00000
     46     -11.6207      1.00000
     47     -11.1369      1.00000
     48     -11.0821      1.00000
     49     -10.7794      1.00000
     50     -10.7031      1.00000
     51     -10.4032      1.00000
     52     -10.1923      1.00000
     53     -10.1664      1.00000
     54     -10.1257      1.00000
     55      -9.9932      1.00000
     56      -9.9816      1.00000
     57      -9.9397      1.00000
     58      -9.7932      1.00000
     59      -9.7704      1.00000
     60      -9.7402      1.00000
     61      -9.7204      1.00000
     62      -9.4361      1.00000
     63      -9.3346      1.00000
     64      -9.0880      1.00000
     65      -9.0442      1.00000
     66      -9.0015      1.00000
     67      -8.8907      1.00000
     68      -8.8244      1.00000
     69      -8.7074      1.00000
     70      -8.6651      1.00000
     71      -8.5658      1.00000
     72      -8.5058      1.00000
     73      -8.4708      1.00000
     74      -8.4371      1.00000
     75      -8.3315      1.00000
     76      -8.1974      1.00000
     77      -8.0660      1.00000
     78      -7.9798      1.00000
     79      -7.9083      1.00000
     80      -7.8799      1.00000
     81      -7.6947      1.00000
     82      -7.5610      1.00000
     83      -7.4921      1.00000
     84      -6.9786      1.00000
     85      -6.9092      1.00000
     86      -6.8590      1.00000
     87      -6.7405      1.00000
     88      -6.5197      1.00000
     89      -6.4671      1.00000
     90      -6.3780      1.00000
     91      -6.1924      1.00000
     92      -5.9288      1.00000
     93      -5.7952      1.00000
     94      -5.7497      1.00000
     95      -5.5567      1.00000
     96      -5.3750      1.00000
     97      -5.2430      1.00000
     98      -5.1952      1.00000
     99      -5.1813      1.00000
    100      -5.1202      1.00000
    101      -4.8091      1.00000
    102      -4.5410      1.00000
    103      -4.4596      1.00000
    104      -4.2456      1.00000
    105      -3.5588      1.00000
    106      -3.2886      1.00000
    107      -2.9368      0.00000
    108      -2.3424      0.00000
    109      -1.1823      0.00000
    110      -1.1632      0.00000
    111      -1.1131      0.00000
    112      -1.0585      0.00000
    113      -0.5027      0.00000
    114      -0.4559      0.00000
    115      -0.2962      0.00000
    116      -0.2721      0.00000
    117       0.0012      0.00000
    118       0.0358      0.00000
    119       0.5328      0.00000
    120       0.6436      0.00000
    121       0.8894      0.00000
    122       0.9862      0.00000
    123       1.1935      0.00000
    124       1.5416      0.00000
    125       1.7749      0.00000
    126       1.7949      0.00000
    127       2.0081      0.00000
    128       2.1333      0.00000
    129       2.1442      0.00000
    130       2.1538      0.00000
    131       2.2689      0.00000
    132       2.3151      0.00000
    133       2.3705      0.00000
    134       2.4666      0.00000
    135       2.6706      0.00000
    136       2.7559      0.00000
    137       2.8008      0.00000
    138       2.8808      0.00000
    139       2.9753      0.00000
    140       3.0185      0.00000
    141       3.0700      0.00000
    142       3.1264      0.00000
    143       3.1733      0.00000
    144       3.2502      0.00000
    145       3.2737      0.00000
    146       3.3057      0.00000
    147       3.3338      0.00000
    148       3.3539      0.00000
    149       3.4223      0.00000
    150       3.5476      0.00000
    151       3.6418      0.00000
    152       3.6850      0.00000
    153       3.7125      0.00000
    154       3.7191      0.00000
    155       3.7423      0.00000
    156       3.7997      0.00000
    157       3.9736      0.00000
    158       4.0731      0.00000
    159       4.1550      0.00000
    160       4.2802      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2578      1.00000
      2     -21.8995      1.00000
      3     -21.8617      1.00000
      4     -21.3373      1.00000
      5     -21.3013      1.00000
      6     -20.7813      1.00000
      7     -20.7433      1.00000
      8     -20.5770      1.00000
      9     -20.0464      1.00000
     10     -20.0107      1.00000
     11     -19.6798      1.00000
     12     -19.6445      1.00000
     13     -18.9672      1.00000
     14     -18.9297      1.00000
     15     -18.6118      1.00000
     16     -18.5741      1.00000
     17     -18.4163      1.00000
     18     -17.6316      1.00000
     19     -17.5859      1.00000
     20     -17.5651      1.00000
     21     -17.5481      1.00000
     22     -17.0973      1.00000
     23     -17.0545      1.00000
     24     -16.9375      1.00000
     25     -15.9807      1.00000
     26     -15.8692      1.00000
     27     -15.5659      1.00000
     28     -15.5272      1.00000
     29     -15.2308      1.00000
     30     -14.8484      1.00000
     31     -14.7905      1.00000
     32     -14.5367      1.00000
     33     -14.4994      1.00000
     34     -14.1282      1.00000
     35     -14.1158      1.00000
     36     -13.1553      1.00000
     37     -13.0482      1.00000
     38     -12.9951      1.00000
     39     -12.9753      1.00000
     40     -12.6985      1.00000
     41     -12.6533      1.00000
     42     -12.2962      1.00000
     43     -12.2783      1.00000
     44     -11.6190      1.00000
     45     -11.5860      1.00000
     46     -11.5253      1.00000
     47     -10.9216      1.00000
     48     -10.8963      1.00000
     49     -10.7112      1.00000
     50     -10.5650      1.00000
     51     -10.5337      1.00000
     52     -10.4660      1.00000
     53     -10.4244      1.00000
     54     -10.3656      1.00000
     55     -10.3137      1.00000
     56     -10.0334      1.00000
     57      -9.8692      1.00000
     58      -9.6004      1.00000
     59      -9.5210      1.00000
     60      -9.4528      1.00000
     61      -9.4040      1.00000
     62      -9.3709      1.00000
     63      -9.3402      1.00000
     64      -9.2966      1.00000
     65      -9.2449      1.00000
     66      -9.1343      1.00000
     67      -9.0878      1.00000
     68      -9.0711      1.00000
     69      -8.8500      1.00000
     70      -8.8329      1.00000
     71      -8.7022      1.00000
     72      -8.5591      1.00000
     73      -8.4367      1.00000
     74      -8.1970      1.00000
     75      -8.1702      1.00000
     76      -8.0392      1.00000
     77      -7.8665      1.00000
     78      -7.8026      1.00000
     79      -7.7692      1.00000
     80      -7.7173      1.00000
     81      -7.6784      1.00000
     82      -7.6407      1.00000
     83      -7.4464      1.00000
     84      -7.3070      1.00000
     85      -6.9172      1.00000
     86      -6.8887      1.00000
     87      -6.7761      1.00000
     88      -6.5568      1.00000
     89      -6.3873      1.00000
     90      -6.3224      1.00000
     91      -6.2773      1.00000
     92      -6.1696      1.00000
     93      -6.0672      1.00000
     94      -5.7830      1.00000
     95      -5.5310      1.00000
     96      -5.3556      1.00000
     97      -5.2030      1.00000
     98      -5.1760      1.00000
     99      -5.0296      1.00000
    100      -4.8133      1.00000
    101      -4.6689      1.00000
    102      -4.4944      1.00000
    103      -4.4329      1.00000
    104      -4.2369      1.00000
    105      -3.6315      1.00000
    106      -3.5498      1.00000
    107      -2.8424      0.00000
    108      -2.1346      0.00000
    109      -1.2453      0.00000
    110      -1.1882      0.00000
    111      -1.1772      0.00000
    112      -0.8841      0.00000
    113      -0.8667      0.00000
    114      -0.7853      0.00000
    115      -0.7521      0.00000
    116       0.1438      0.00000
    117       0.2448      0.00000
    118       0.3173      0.00000
    119       0.7258      0.00000
    120       0.8593      0.00000
    121       0.9374      0.00000
    122       1.1701      0.00000
    123       1.2670      0.00000
    124       1.5235      0.00000
    125       1.5928      0.00000
    126       1.7994      0.00000
    127       1.8864      0.00000
    128       1.8972      0.00000
    129       1.9776      0.00000
    130       2.0581      0.00000
    131       2.2300      0.00000
    132       2.3489      0.00000
    133       2.4398      0.00000
    134       2.4553      0.00000
    135       2.5785      0.00000
    136       2.6083      0.00000
    137       2.6646      0.00000
    138       2.7241      0.00000
    139       2.7678      0.00000
    140       2.9082      0.00000
    141       3.0567      0.00000
    142       3.1538      0.00000
    143       3.2101      0.00000
    144       3.2376      0.00000
    145       3.2519      0.00000
    146       3.2903      0.00000
    147       3.3593      0.00000
    148       3.4500      0.00000
    149       3.5633      0.00000
    150       3.6151      0.00000
    151       3.6968      0.00000
    152       3.7360      0.00000
    153       3.8669      0.00000
    154       3.9076      0.00000
    155       3.9457      0.00000
    156       3.9703      0.00000
    157       4.0286      0.00000
    158       4.0308      0.00000
    159       4.0438      0.00000
    160       4.0889      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3328      1.00000
      2     -21.7723      1.00000
      3     -21.5916      1.00000
      4     -21.5672      1.00000
      5     -21.2224      1.00000
      6     -21.1932      1.00000
      7     -21.0175      1.00000
      8     -20.1178      1.00000
      9     -20.0863      1.00000
     10     -19.5758      1.00000
     11     -19.5414      1.00000
     12     -19.3714      1.00000
     13     -19.0600      1.00000
     14     -19.0193      1.00000
     15     -19.0024      1.00000
     16     -18.9846      1.00000
     17     -18.3325      1.00000
     18     -18.3013      1.00000
     19     -17.9722      1.00000
     20     -17.0223      1.00000
     21     -16.9809      1.00000
     22     -16.9244      1.00000
     23     -16.8986      1.00000
     24     -16.4542      1.00000
     25     -16.4191      1.00000
     26     -15.5754      1.00000
     27     -15.5469      1.00000
     28     -15.2031      1.00000
     29     -15.1806      1.00000
     30     -15.1611      1.00000
     31     -15.0817      1.00000
     32     -15.0278      1.00000
     33     -14.6695      1.00000
     34     -14.6430      1.00000
     35     -13.7031      1.00000
     36     -13.6710      1.00000
     37     -13.2056      1.00000
     38     -12.6384      1.00000
     39     -12.5375      1.00000
     40     -12.4248      1.00000
     41     -12.4023      1.00000
     42     -12.0731      1.00000
     43     -12.0520      1.00000
     44     -11.6774      1.00000
     45     -11.6451      1.00000
     46     -11.2867      1.00000
     47     -11.1845      1.00000
     48     -10.9945      1.00000
     49     -10.9627      1.00000
     50     -10.8882      1.00000
     51     -10.8556      1.00000
     52     -10.5612      1.00000
     53     -10.2049      1.00000
     54     -10.1151      1.00000
     55     -10.0577      1.00000
     56      -9.8891      1.00000
     57      -9.6618      1.00000
     58      -9.6613      1.00000
     59      -9.6254      1.00000
     60      -9.6000      1.00000
     61      -9.5325      1.00000
     62      -9.4731      1.00000
     63      -9.3117      1.00000
     64      -9.2632      1.00000
     65      -9.2215      1.00000
     66      -9.1924      1.00000
     67      -9.0940      1.00000
     68      -9.0899      1.00000
     69      -9.0675      1.00000
     70      -8.9018      1.00000
     71      -8.8388      1.00000
     72      -8.5732      1.00000
     73      -8.5593      1.00000
     74      -8.1702      1.00000
     75      -8.0104      1.00000
     76      -7.9484      1.00000
     77      -7.8829      1.00000
     78      -7.7763      1.00000
     79      -7.7269      1.00000
     80      -7.7121      1.00000
     81      -7.4011      1.00000
     82      -7.2808      1.00000
     83      -7.2438      1.00000
     84      -7.2176      1.00000
     85      -7.1529      1.00000
     86      -6.9683      1.00000
     87      -6.8568      1.00000
     88      -6.6929      1.00000
     89      -6.6615      1.00000
     90      -6.5844      1.00000
     91      -6.1587      1.00000
     92      -6.0859      1.00000
     93      -6.0723      1.00000
     94      -5.9090      1.00000
     95      -5.8813      1.00000
     96      -5.3768      1.00000
     97      -5.1888      1.00000
     98      -4.8718      1.00000
     99      -4.8568      1.00000
    100      -4.6457      1.00000
    101      -4.5249      1.00000
    102      -4.3909      1.00000
    103      -4.2662      1.00000
    104      -4.0638      1.00000
    105      -4.0386      1.00000
    106      -3.5686      1.00000
    107      -2.8636      0.00000
    108      -1.7035      0.00000
    109      -1.6980      0.00000
    110      -1.3066      0.00000
    111      -1.2602      0.00000
    112      -1.2294      0.00000
    113      -1.2278      0.00000
    114      -0.5655      0.00000
    115      -0.2538      0.00000
    116      -0.1140      0.00000
    117       0.5866      0.00000
    118       0.6784      0.00000
    119       0.8088      0.00000
    120       0.9590      0.00000
    121       1.1408      0.00000
    122       1.2062      0.00000
    123       1.2862      0.00000
    124       1.4641      0.00000
    125       1.6253      0.00000
    126       1.6932      0.00000
    127       1.7824      0.00000
    128       1.7885      0.00000
    129       1.9125      0.00000
    130       1.9418      0.00000
    131       2.1881      0.00000
    132       2.2004      0.00000
    133       2.2453      0.00000
    134       2.4755      0.00000
    135       2.5176      0.00000
    136       2.6134      0.00000
    137       2.6435      0.00000
    138       2.7109      0.00000
    139       2.8344      0.00000
    140       2.8458      0.00000
    141       2.8615      0.00000
    142       2.9681      0.00000
    143       2.9878      0.00000
    144       3.0349      0.00000
    145       3.1580      0.00000
    146       3.3639      0.00000
    147       3.3882      0.00000
    148       3.4342      0.00000
    149       3.5968      0.00000
    150       3.6306      0.00000
    151       3.6402      0.00000
    152       3.6883      0.00000
    153       3.8044      0.00000
    154       3.8218      0.00000
    155       4.0231      0.00000
    156       4.0398      0.00000
    157       4.0669      0.00000
    158       4.1469      0.00000
    159       4.2514      0.00000
    160       4.3649      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1158      1.00000
      2     -22.1004      1.00000
      3     -21.9148      1.00000
      4     -21.3576      1.00000
      5     -20.9909      1.00000
      6     -20.9786      1.00000
      7     -20.4395      1.00000
      8     -20.4251      1.00000
      9     -20.2457      1.00000
     10     -20.2440      1.00000
     11     -19.8867      1.00000
     12     -19.8736      1.00000
     13     -18.8207      1.00000
     14     -18.7950      1.00000
     15     -18.2826      1.00000
     16     -18.2757      1.00000
     17     -18.1115      1.00000
     18     -18.1047      1.00000
     19     -17.7646      1.00000
     20     -17.7593      1.00000
     21     -17.2287      1.00000
     22     -17.2007      1.00000
     23     -17.1134      1.00000
     24     -17.0986      1.00000
     25     -16.0899      1.00000
     26     -15.8311      1.00000
     27     -15.8209      1.00000
     28     -15.8046      1.00000
     29     -15.1820      1.00000
     30     -14.5113      1.00000
     31     -14.4973      1.00000
     32     -14.2272      1.00000
     33     -13.9616      1.00000
     34     -13.9246      1.00000
     35     -13.7876      1.00000
     36     -13.7766      1.00000
     37     -13.5587      1.00000
     38     -13.5385      1.00000
     39     -13.3281      1.00000
     40     -12.6088      1.00000
     41     -12.1295      1.00000
     42     -12.1175      1.00000
     43     -12.0060      1.00000
     44     -11.9895      1.00000
     45     -11.6502      1.00000
     46     -11.6347      1.00000
     47     -11.1386      1.00000
     48     -11.1016      1.00000
     49     -10.7594      1.00000
     50     -10.7021      1.00000
     51     -10.4408      1.00000
     52     -10.1714      1.00000
     53     -10.1641      1.00000
     54     -10.1478      1.00000
     55     -10.0010      1.00000
     56      -9.9624      1.00000
     57      -9.9355      1.00000
     58      -9.8126      1.00000
     59      -9.7632      1.00000
     60      -9.7424      1.00000
     61      -9.7274      1.00000
     62      -9.4321      1.00000
     63      -9.3313      1.00000
     64      -9.0759      1.00000
     65      -9.0393      1.00000
     66      -8.9680      1.00000
     67      -8.9398      1.00000
     68      -8.7999      1.00000
     69      -8.6813      1.00000
     70      -8.6654      1.00000
     71      -8.5475      1.00000
     72      -8.5144      1.00000
     73      -8.4429      1.00000
     74      -8.4365      1.00000
     75      -8.2991      1.00000
     76      -8.2302      1.00000
     77      -8.1107      1.00000
     78      -8.0477      1.00000
     79      -8.0227      1.00000
     80      -7.7881      1.00000
     81      -7.6006      1.00000
     82      -7.5918      1.00000
     83      -7.4606      1.00000
     84      -7.0006      1.00000
     85      -6.9473      1.00000
     86      -6.8601      1.00000
     87      -6.5738      1.00000
     88      -6.5413      1.00000
     89      -6.4599      1.00000
     90      -6.4061      1.00000
     91      -6.3306      1.00000
     92      -5.9842      1.00000
     93      -5.7679      1.00000
     94      -5.7266      1.00000
     95      -5.5594      1.00000
     96      -5.3779      1.00000
     97      -5.2036      1.00000
     98      -5.1977      1.00000
     99      -5.1766      1.00000
    100      -5.1553      1.00000
    101      -4.6483      1.00000
    102      -4.5029      1.00000
    103      -4.4439      1.00000
    104      -4.3854      1.00000
    105      -3.5750      1.00000
    106      -3.4306      1.00000
    107      -2.7311      0.00000
    108      -2.4073      0.00000
    109      -1.1653      0.00000
    110      -1.1554      0.00000
    111      -1.1461      0.00000
    112      -1.0513      0.00000
    113      -0.4880      0.00000
    114      -0.4772      0.00000
    115      -0.3228      0.00000
    116      -0.2465      0.00000
    117       0.0070      0.00000
    118       0.0091      0.00000
    119       0.5228      0.00000
    120       0.6651      0.00000
    121       0.8266      0.00000
    122       1.0105      0.00000
    123       1.2498      0.00000
    124       1.5142      0.00000
    125       1.7721      0.00000
    126       1.9623      0.00000
    127       1.9706      0.00000
    128       2.0336      0.00000
    129       2.1345      0.00000
    130       2.1811      0.00000
    131       2.2903      0.00000
    132       2.2960      0.00000
    133       2.3723      0.00000
    134       2.5645      0.00000
    135       2.6395      0.00000
    136       2.6923      0.00000
    137       2.8567      0.00000
    138       2.8962      0.00000
    139       2.9697      0.00000
    140       3.0175      0.00000
    141       3.1395      0.00000
    142       3.1506      0.00000
    143       3.1553      0.00000
    144       3.1887      0.00000
    145       3.2506      0.00000
    146       3.2578      0.00000
    147       3.3432      0.00000
    148       3.3565      0.00000
    149       3.4352      0.00000
    150       3.4536      0.00000
    151       3.5261      0.00000
    152       3.6567      0.00000
    153       3.6983      0.00000
    154       3.7224      0.00000
    155       3.8494      0.00000
    156       3.9198      0.00000
    157       3.9772      0.00000
    158       4.0097      0.00000
    159       4.1324      0.00000
    160       4.2250      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2202      1.00000
      2     -22.0323      1.00000
      3     -21.6673      1.00000
      4     -21.6419      1.00000
      5     -20.9266      1.00000
      6     -20.8964      1.00000
      7     -20.5570      1.00000
      8     -20.5370      1.00000
      9     -20.5264      1.00000
     10     -19.9899      1.00000
     11     -19.4658      1.00000
     12     -19.4329      1.00000
     13     -19.2803      1.00000
     14     -19.2526      1.00000
     15     -18.3981      1.00000
     16     -18.3664      1.00000
     17     -17.8965      1.00000
     18     -17.8641      1.00000
     19     -17.7134      1.00000
     20     -17.6793      1.00000
     21     -17.4117      1.00000
     22     -17.3806      1.00000
     23     -17.2929      1.00000
     24     -16.4535      1.00000
     25     -16.4142      1.00000
     26     -15.9344      1.00000
     27     -15.3785      1.00000
     28     -15.3507      1.00000
     29     -15.0669      1.00000
     30     -15.0375      1.00000
     31     -14.8091      1.00000
     32     -14.7873      1.00000
     33     -14.2844      1.00000
     34     -14.2130      1.00000
     35     -13.4417      1.00000
     36     -13.3588      1.00000
     37     -13.1517      1.00000
     38     -13.1203      1.00000
     39     -12.9593      1.00000
     40     -12.9288      1.00000
     41     -12.5857      1.00000
     42     -12.5587      1.00000
     43     -12.1718      1.00000
     44     -11.5349      1.00000
     45     -11.4986      1.00000
     46     -11.2736      1.00000
     47     -11.2446      1.00000
     48     -11.1288      1.00000
     49     -10.7656      1.00000
     50     -10.6256      1.00000
     51     -10.4488      1.00000
     52     -10.2801      1.00000
     53     -10.2729      1.00000
     54     -10.1649      1.00000
     55     -10.0886      1.00000
     56     -10.0560      1.00000
     57      -9.8034      1.00000
     58      -9.7026      1.00000
     59      -9.6894      1.00000
     60      -9.6815      1.00000
     61      -9.6689      1.00000
     62      -9.6031      1.00000
     63      -9.3426      1.00000
     64      -9.3149      1.00000
     65      -9.2874      1.00000
     66      -8.9673      1.00000
     67      -8.9276      1.00000
     68      -8.8782      1.00000
     69      -8.7464      1.00000
     70      -8.5604      1.00000
     71      -8.4820      1.00000
     72      -8.3988      1.00000
     73      -8.3590      1.00000
     74      -8.2850      1.00000
     75      -8.2389      1.00000
     76      -8.2240      1.00000
     77      -8.2098      1.00000
     78      -8.1933      1.00000
     79      -7.9965      1.00000
     80      -7.7780      1.00000
     81      -7.4126      1.00000
     82      -7.3159      1.00000
     83      -7.2374      1.00000
     84      -7.1387      1.00000
     85      -7.0944      1.00000
     86      -6.9554      1.00000
     87      -6.9080      1.00000
     88      -6.5853      1.00000
     89      -6.5560      1.00000
     90      -6.4347      1.00000
     91      -6.2478      1.00000
     92      -5.9024      1.00000
     93      -5.8220      1.00000
     94      -5.6736      1.00000
     95      -5.5830      1.00000
     96      -5.2935      1.00000
     97      -5.2594      1.00000
     98      -5.1825      1.00000
     99      -5.1821      1.00000
    100      -5.1593      1.00000
    101      -4.5238      1.00000
    102      -4.4570      1.00000
    103      -4.3985      1.00000
    104      -4.0752      1.00000
    105      -3.9273      1.00000
    106      -3.5213      1.00000
    107      -2.8131      0.00000
    108      -1.8040      0.00000
    109      -1.7924      0.00000
    110      -1.0762      0.00000
    111      -1.0096      0.00000
    112      -0.9260      0.00000
    113      -0.6542      0.00000
    114      -0.6045      0.00000
    115      -0.5688      0.00000
    116      -0.5274      0.00000
    117       0.1606      0.00000
    118       0.2640      0.00000
    119       0.7166      0.00000
    120       0.9778      0.00000
    121       1.0979      0.00000
    122       1.2566      0.00000
    123       1.4329      0.00000
    124       1.5380      0.00000
    125       1.6070      0.00000
    126       1.6420      0.00000
    127       1.6497      0.00000
    128       1.8520      0.00000
    129       1.9421      0.00000
    130       2.1256      0.00000
    131       2.2257      0.00000
    132       2.3549      0.00000
    133       2.3751      0.00000
    134       2.4734      0.00000
    135       2.6089      0.00000
    136       2.6676      0.00000
    137       2.7538      0.00000
    138       2.7558      0.00000
    139       2.8694      0.00000
    140       2.9764      0.00000
    141       3.0696      0.00000
    142       3.0799      0.00000
    143       3.1992      0.00000
    144       3.2978      0.00000
    145       3.3417      0.00000
    146       3.3585      0.00000
    147       3.4977      0.00000
    148       3.5378      0.00000
    149       3.5689      0.00000
    150       3.6045      0.00000
    151       3.6268      0.00000
    152       3.7021      0.00000
    153       3.7465      0.00000
    154       3.7945      0.00000
    155       3.7981      0.00000
    156       3.8657      0.00000
    157       3.9399      0.00000
    158       4.0329      0.00000
    159       4.0525      0.00000
    160       4.2992      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0454   -6.8549    2.8562   -0.4767   -0.0185   17.1419    0.1008   -0.0750    0.1199   -0.2118
x    -3.1500   -0.0335   -0.0583    0.0253    0.0341   -3.0235    0.0195   -0.0017   -0.0001    0.0000
x    -0.0931   -0.0011    0.0020   -0.0017    0.0007   -0.0239    0.0000    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    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   -0.0034    0.0000    0.0011    0.0005    0.0035   -0.0985   -0.0409    0.0714    0.0091
y     0.0425   -3.2487   -0.0985    0.2048   -2.4287   -0.6650
z   204.0454    1.9736    0.0126   -0.0671    0.0174    0.0776   -0.0028   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0611    0.0084    0.0021    0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.7965
z    -0.5096    0.0382    0.0740    0.1471   -0.0979   -0.0018
 total charge-density along one line
x   212.0000   -9.6823    4.7909   -1.2797   -0.2540   19.0816   -1.1220    1.0511   -0.6831    0.2217
x    -2.7482   -0.0177   -0.0410    0.0179    0.0346   -2.3069    0.0189    0.0019   -0.0031   -0.0008
x    -0.0821    0.0012   -0.0021    0.0004    0.0010   -0.0370    0.0003    0.0005   -0.0003   -0.0003
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6823    4.7909   -1.2797   -0.2540   19.0816   -1.1220    1.0511   -0.6831    0.2217
y    -2.7482   -0.0177   -0.0410    0.0179    0.0346   -2.3069    0.0189    0.0019   -0.0031   -0.0008
y    -0.0821    0.0012   -0.0021    0.0004    0.0010   -0.0370    0.0003    0.0005   -0.0003   -0.0003
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6784  189.4289 -169.4317  151.1704 -136.4917  123.7665 -110.2914   94.6914  -77.7290
z    61.4596  -47.7630   37.3603  -29.7729   23.9576  -19.0250   14.5972  -10.7300    7.6121   -5.3111
z     3.7069   -2.5784    1.7278   -1.0476    0.5094   -0.1149   -0.1432    0.2899   -0.3579    0.3750
z    -0.3624    0.3364   -0.3096    0.2883   -0.2705    0.2492   -0.2182    0.1784   -0.1367    0.1020
z    -0.0790    0.0664   -0.0589    0.0514   -0.0419    0.0319   -0.0236    0.0183   -0.0155    0.0139
z    -0.0124    0.0107   -0.0087    0.0069   -0.0052    0.0038   -0.0028    0.0021   -0.0016    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.203   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.302   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.422   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.299   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.203   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.302   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.422   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.299   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.150  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.245   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.279   0.000  -0.306   0.000  -0.196   0.084  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.062   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.268   0.000   0.298   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.063   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.068   0.037   0.000  -0.052   0.000   0.000
  0.279   0.000  -0.268   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.109   0.321  -0.103   0.000   0.024   0.000   0.000
  0.000   0.047   0.000  -0.063   0.000   0.000   0.111   0.000  -0.050   0.000   0.000   0.000   0.026   0.000   0.059   0.001
 -0.306   0.000   0.298   0.000   0.182  -0.122   0.000   0.430   0.000   0.069   0.149  -0.139   0.000  -0.178   0.000   0.000
  0.000  -0.062   0.000   0.114   0.000   0.000  -0.050   0.000   0.171   0.000   0.000   0.000   0.060   0.000  -0.043  -0.002
 -0.196   0.000   0.158   0.000   0.063  -0.109   0.000   0.069   0.000   0.090  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.084   0.000  -0.280   0.000  -0.068   0.321   0.000   0.149   0.000  -0.178   1.141  -0.354   0.000  -0.140   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.103   0.000  -0.139   0.000   0.061  -0.354   0.215   0.000   0.098   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.026   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.174  -0.009
  0.081   0.000  -0.096   0.000  -0.052   0.024   0.000  -0.178   0.000  -0.012  -0.140   0.098   0.000   0.089   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.043   0.000   0.000   0.000   0.174   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.008   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.538   0.391   7.855   8.785
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.643
  5        0.863   1.782   0.000   2.645
  6        0.864   1.782   0.000   2.646
  7        0.865   1.786   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.785   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.775   0.000   2.640
 17        0.849   1.732   0.000   2.581
 18        0.864   1.788   0.000   2.652
 19        0.864   1.782   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.767   0.000   2.632
 23        0.864   1.775   0.000   2.638
 24        0.863   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 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   2.647
 35        0.864   1.775   0.000   2.638
 36        0.865   1.767   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.785   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.581
 42        0.865   1.775   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.643
 50        0.864   1.782   0.000   2.646
 51        0.865   1.786   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.863   1.782   0.000   2.645
------------------------------------------------
tot       44.792  89.403   7.855 142.049
 


 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  112.46: CPU time   56.88
    FORLOC:  VPU time    1.26: CPU time    1.25
    FORNL :  VPU time  442.50: CPU time  222.19
    STRESS:  VPU time 1357.74: CPU time  682.72
    FORCOR:  VPU time    8.68: CPU time    8.68
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.1130852E-05[-0.382E-05, 0.608E-05]  d Energy =-0.4869344E-06 0.162E-05
 d Force =-0.1238727E+00[-0.124E+00,-0.124E+00]  d Ewald  = 0.5160263E+00-0.640E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648769 eV

  energy  without entropy=     -469.648769  energy(sigma->0) =     -469.648769
 

  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    40932.27  40978.12 -47637.63     39.71      0.00      0.00
  Hartree  40391.17  40415.95 -39639.32     21.46      0.00      0.00
  E(xc)     -779.24   -778.89   -806.97      0.30      0.00      0.00
  Local   -83614.37 -83682.38  84589.66    -58.90      0.00      0.00
  n-local   -214.71   -206.79   -206.56      5.97      0.00      0.00
  augment     21.82     19.28     20.59     -2.19      0.00      0.00
  Kinetic   3165.47   3163.46   3585.91     -8.20      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.48     -0.49     -0.39     -0.01      0.00      0.00
  in kB       -0.29     -0.30     -0.24     -0.01      0.00      0.00
  external pressure =       -0.28 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342114423 -0.001190324  0.000000000     0.081027907  0.046791973  0.000000000
    -6.172094701 10.687985296  0.000000000     0.000009024  0.093568214  0.000000000
     0.000000000  0.000000000 19.999711911     0.000000000  0.000000000  0.050000720

  length of vectors
    12.342114480 12.342114190 19.999711911     0.093568212  0.093568215  0.050000720


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.835E-05 -.312E-04 -.110E+04   0.447E-05 -.262E-04 0.110E+04   0.424E-20 0.169E-20 0.368E+01   -.382E-07 0.277E-07 -.444E-02
   -.268E+02 -.464E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.192E+00   0.569E-03 0.983E-03 0.247E-03
   0.268E+02 0.464E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.192E+00   -.569E-03 -.983E-03 0.247E-03
   -.208E+01 0.120E+01 0.308E+02   0.203E+01 -.117E+01 -.308E+02   0.544E-01 -.314E-01 0.627E-02   -.116E-03 0.643E-04 0.162E-03
   0.657E+01 0.654E+01 0.344E+02   -.653E+01 -.653E+01 -.343E+02   -.317E-01 -.128E-01 -.436E-01   0.389E-03 -.133E-03 0.437E-03
   0.117E+02 0.587E+01 0.252E+02   -.116E+02 -.589E+01 -.250E+02   -.528E-01 0.185E-01 -.122E+00   0.278E-03 0.763E-04 0.745E-03
   0.430E+01 -.113E+01 0.209E+02   -.430E+01 0.114E+01 -.209E+02   0.359E-02 -.696E-02 0.121E-01   -.161E-03 0.821E-03 0.456E-03
   -.282E+01 -.262E+01 0.222E+02   0.282E+01 0.260E+01 -.222E+02   -.348E-02 0.167E-01 0.231E-01   -.878E-03 0.338E-03 0.946E-03
   0.860E+00 0.375E+01 0.222E+02   -.843E+00 -.374E+01 -.222E+02   -.162E-01 -.531E-02 0.231E-01   -.737E-03 0.585E-03 0.940E-03
   0.289E+01 0.187E+02 0.370E+02   -.292E+01 -.186E+02 -.370E+02   0.351E-01 -.236E-01 -.162E-01   -.224E-03 0.923E-03 0.351E-03
   0.203E+02 0.223E+02 0.460E+02   -.203E+02 -.224E+02 -.456E+02   0.781E-02 0.116E+00 -.322E+00   0.552E-04 -.564E-03 -.181E-02
   0.273E+02 -.581E+01 0.230E+02   -.274E+02 0.587E+01 -.230E+02   0.966E-01 -.626E-01 0.160E-01   0.134E-04 -.281E-03 -.714E-03
   0.977E+01 -.564E+01 0.158E+02   -.972E+01 0.561E+01 -.158E+02   -.582E-01 0.336E-01 0.390E-01   -.167E-03 0.903E-04 0.110E-02
   0.313E+01 -.316E+01 0.209E+02   -.313E+01 0.315E+01 -.209E+02   0.783E-02 0.369E-03 0.121E-01   -.793E-03 -.275E-03 0.443E-03
   -.686E+01 0.128E+02 0.241E+02   0.683E+01 -.128E+02 -.241E+02   0.212E-01 0.305E-02 0.215E-01   -.108E-02 0.809E-03 0.416E-03
   -.134E+02 0.311E+02 0.315E+02   0.133E+02 -.316E+02 -.317E+02   0.107E+00 0.442E+00 0.257E+00   -.357E-03 0.686E-03 -.335E-02
   0.342E+02 -.197E+02 0.950E+01   -.353E+02 0.204E+02 -.118E+02   0.115E+01 -.661E+00 0.234E+01   0.326E-03 -.191E-03 -.505E-02
   0.187E+02 -.208E+02 0.230E+02   -.188E+02 0.208E+02 -.230E+02   0.103E+00 -.524E-01 0.160E-01   0.248E-03 0.121E-03 -.721E-03
   0.756E+00 -.131E+02 0.252E+02   -.710E+00 0.130E+02 -.250E+02   -.424E-01 0.365E-01 -.122E+00   0.758E-04 -.280E-03 0.736E-03
   -.404E+01 0.985E+00 0.176E+02   0.405E+01 -.100E+01 -.175E+02   -.345E-02 0.175E-01 -.774E-01   -.768E-03 -.743E-05 0.111E-02
   -.181E+02 0.104E+02 0.131E+02   0.181E+02 -.104E+02 -.129E+02   0.307E-02 -.177E-02 -.244E+00   -.661E-03 0.385E-03 0.527E-03
   -.337E+02 -.392E+01 0.315E+02   0.340E+02 0.424E+01 -.317E+02   -.329E+00 -.314E+00 0.257E+00   -.769E-03 -.340E-04 -.335E-02
   -.913E+01 -.288E+02 0.460E+02   0.924E+01 0.288E+02 -.456E+02   -.969E-01 -.649E-01 -.322E+00   0.519E-03 0.229E-03 -.181E-02
   -.238E+01 -.896E+01 0.344E+02   0.239E+01 0.892E+01 -.343E+02   -.480E-02 0.338E-01 -.436E-01   0.311E-03 -.272E-03 0.435E-03
   0.115E+01 -.667E+00 0.237E+02   -.113E+01 0.655E+00 -.237E+02   -.154E-01 0.888E-02 -.690E-01   0.308E-03 -.176E-03 0.371E-03
   -.287E+01 0.300E+01 0.176E+02   0.289E+01 -.300E+01 -.175E+02   -.169E-01 -.578E-02 -.774E-01   -.376E-03 0.673E-03 0.112E-02
   -.145E+02 -.443E+00 0.241E+02   0.145E+02 0.462E+00 -.241E+02   0.798E-02 -.199E-01 0.215E-01   -.124E-02 0.527E-03 0.427E-03
   -.147E+02 -.118E+02 0.370E+02   0.147E+02 0.119E+02 -.370E+02   0.380E-01 -.186E-01 -.162E-01   -.910E-03 -.272E-03 0.356E-03
   0.238E+01 0.896E+01 0.344E+02   -.239E+01 -.892E+01 -.343E+02   0.480E-02 -.338E-01 -.436E-01   -.311E-03 0.272E-03 0.435E-03
   0.147E+02 0.118E+02 0.370E+02   -.147E+02 -.119E+02 -.370E+02   -.380E-01 0.186E-01 -.162E-01   0.910E-03 0.272E-03 0.356E-03
   0.145E+02 0.443E+00 0.241E+02   -.145E+02 -.462E+00 -.241E+02   -.798E-02 0.199E-01 0.215E-01   0.124E-02 -.527E-03 0.427E-03
   0.287E+01 -.300E+01 0.176E+02   -.289E+01 0.300E+01 -.175E+02   0.169E-01 0.578E-02 -.774E-01   0.376E-03 -.673E-03 0.112E-02
   -.115E+01 0.667E+00 0.237E+02   0.113E+01 -.655E+00 -.237E+02   0.154E-01 -.888E-02 -.690E-01   -.308E-03 0.176E-03 0.371E-03
   -.756E+00 0.131E+02 0.252E+02   0.710E+00 -.130E+02 -.250E+02   0.424E-01 -.365E-01 -.122E+00   -.757E-04 0.280E-03 0.737E-03
   0.913E+01 0.288E+02 0.460E+02   -.924E+01 -.288E+02 -.456E+02   0.969E-01 0.649E-01 -.322E+00   -.519E-03 -.229E-03 -.181E-02
   0.337E+02 0.392E+01 0.315E+02   -.340E+02 -.424E+01 -.317E+02   0.329E+00 0.314E+00 0.257E+00   0.769E-03 0.340E-04 -.335E-02
   0.181E+02 -.104E+02 0.131E+02   -.181E+02 0.104E+02 -.129E+02   -.307E-02 0.177E-02 -.244E+00   0.661E-03 -.385E-03 0.527E-03
   0.404E+01 -.985E+00 0.176E+02   -.405E+01 0.100E+01 -.175E+02   0.345E-02 -.175E-01 -.774E-01   0.768E-03 0.743E-05 0.111E-02
   -.313E+01 0.316E+01 0.209E+02   0.313E+01 -.315E+01 -.209E+02   -.783E-02 -.369E-03 0.121E-01   0.793E-03 0.275E-03 0.443E-03
   -.187E+02 0.208E+02 0.230E+02   0.188E+02 -.208E+02 -.230E+02   -.103E+00 0.524E-01 0.160E-01   -.248E-03 -.121E-03 -.721E-03
   -.342E+02 0.197E+02 0.950E+01   0.353E+02 -.204E+02 -.118E+02   -.115E+01 0.661E+00 0.234E+01   -.326E-03 0.191E-03 -.505E-02
   0.134E+02 -.311E+02 0.315E+02   -.133E+02 0.316E+02 -.317E+02   -.107E+00 -.442E+00 0.257E+00   0.358E-03 -.686E-03 -.335E-02
   0.686E+01 -.128E+02 0.241E+02   -.683E+01 0.128E+02 -.241E+02   -.212E-01 -.305E-02 0.215E-01   0.108E-02 -.809E-03 0.416E-03
   -.860E+00 -.375E+01 0.222E+02   0.843E+00 0.374E+01 -.222E+02   0.162E-01 0.531E-02 0.231E-01   0.737E-03 -.585E-03 0.940E-03
   -.977E+01 0.564E+01 0.158E+02   0.972E+01 -.561E+01 -.158E+02   0.582E-01 -.336E-01 0.390E-01   0.167E-03 -.903E-04 0.110E-02
   -.273E+02 0.581E+01 0.230E+02   0.274E+02 -.587E+01 -.230E+02   -.966E-01 0.626E-01 0.160E-01   -.134E-04 0.281E-03 -.714E-03
   -.203E+02 -.223E+02 0.460E+02   0.203E+02 0.224E+02 -.456E+02   -.781E-02 -.116E+00 -.322E+00   -.553E-04 0.564E-03 -.181E-02
   -.289E+01 -.187E+02 0.370E+02   0.292E+01 0.186E+02 -.370E+02   -.351E-01 0.236E-01 -.162E-01   0.224E-03 -.923E-03 0.351E-03
   0.208E+01 -.120E+01 0.308E+02   -.203E+01 0.117E+01 -.308E+02   -.544E-01 0.314E-01 0.627E-02   0.116E-03 -.643E-04 0.162E-03
   0.282E+01 0.262E+01 0.222E+02   -.282E+01 -.260E+01 -.222E+02   0.348E-02 -.167E-01 0.231E-01   0.878E-03 -.338E-03 0.946E-03
   -.430E+01 0.113E+01 0.209E+02   0.430E+01 -.114E+01 -.209E+02   -.359E-02 0.696E-02 0.121E-01   0.161E-03 -.821E-03 0.456E-03
   -.117E+02 -.587E+01 0.252E+02   0.116E+02 0.589E+01 -.250E+02   0.528E-01 -.185E-01 -.122E+00   -.278E-03 -.763E-04 0.745E-03
   -.657E+01 -.654E+01 0.344E+02   0.653E+01 0.653E+01 -.343E+02   0.317E-01 0.128E-01 -.436E-01   -.389E-03 0.133E-03 0.437E-03
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.339E-03 -.640E+01   0.547E-12 0.130E-12 0.661E-12   0.139E-15 -.316E-15 0.644E+01   -.449E-07 0.336E-07 -.154E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85073      6.05601     12.41157         0.000000      0.000000      0.002687
      2.67826      7.48934     12.52147        -0.001220     -0.002113     -0.003819
      1.02320      4.62268     12.52147         0.001220      0.002113     -0.003819
     12.34162     -0.00090      9.87974         0.006761     -0.003904     -0.000488
     -1.23335      2.13853      9.88492         0.004002     -0.001804     -0.000859
     -2.46933      4.27627      9.93335         0.003837     -0.002651     -0.002466
      8.63819      6.41150      9.94280         0.005189      0.000473     -0.004755
     -4.93593      8.54989      9.91886         0.000222     -0.000258      0.000155
     -3.70237     10.68648      9.91886         0.000334     -0.000063      0.000155
      1.23531      2.14024      9.92502         0.005691     -0.002976      0.003520
     -0.00392      4.27872     10.00899         0.012243     -0.000646      0.006341
     -1.23895      6.41065     10.03574         0.005767     -0.005242      0.006045
     -2.46632      8.54846      9.96749        -0.005091      0.002939     -0.007618
      4.93659      0.00015      9.94280         0.002185     -0.004730     -0.004755
      3.70268      2.13360      9.96158        -0.003498      0.007619      0.001340
      2.47232      4.25342     10.13101         0.001274     -0.002741     -0.007713
      1.21391      6.42368     10.35805         0.001704     -0.000984      0.008273
     -0.00124      8.55443     10.03574         0.007424     -0.002373      0.006045
      1.23200     10.68716      9.93335         0.004214     -0.001998     -0.002466
      6.17046      2.13622      9.94311         0.003180     -0.000084      0.000788
      4.93927      4.27284     10.02780        -0.006192      0.003575      0.002681
      3.72261      6.41900     10.13101         0.003011      0.000268     -0.007713
      2.46258      8.55083     10.00899         0.006681     -0.010280      0.006341
      3.70132     10.68564      9.88492         0.003564     -0.002564     -0.000859
      8.63869      2.13698      9.90209         0.004986     -0.002879     -0.005165
      7.40523      4.27491      9.94311         0.001662     -0.002712      0.000788
      6.17362      6.41338      9.96158        -0.008347     -0.000780      0.001340
      4.93418      8.54686      9.92502         0.005422     -0.003440      0.003520
      0.00013      1.42638      9.88492        -0.003564      0.002564     -0.000859
     -1.23272      3.56515      9.92502        -0.005422      0.003440      0.003520
     -2.47216      5.69864      9.96158         0.008347      0.000780      0.001340
     -3.70377      7.83711      9.94311        -0.001662      0.002712      0.000788
     -4.93723      9.97504      9.90209        -0.004986      0.002879     -0.005165
      2.46946      1.42486      9.93335        -0.004214      0.001998     -0.002466
      1.23888      3.56119     10.00899        -0.006681      0.010280      0.006341
     -0.02115      5.69302     10.13101        -0.003011     -0.000268     -0.007713
     -1.23781      7.83918     10.02780         0.006192     -0.003575      0.002681
     -2.46900      9.97580      9.94311        -0.003180      0.000084      0.000788
      4.93696      1.42388      9.94280        -0.002185      0.004730     -0.004755
      3.70270      3.55758     10.03574        -0.007424      0.002373      0.006045
      2.48755      5.68834     10.35805        -0.001704      0.000984      0.008273
      1.22914      7.85860     10.13101        -0.001274      0.002741     -0.007713
     -0.00123      9.97842      9.96158         0.003498     -0.007619      0.001340
      7.40383      1.42553      9.91886        -0.000334      0.000063      0.000155
      6.16778      3.56356      9.96749         0.005091     -0.002939     -0.007618
      4.94041      5.70137     10.03574        -0.005767      0.005242      0.006045
      3.70538      7.83330     10.00899        -0.012243      0.000646      0.006341
      2.46615      9.97178      9.92502        -0.005691      0.002976      0.003520
      9.87405      1.42375      9.87974        -0.006761      0.003904     -0.000488
      8.63739      3.56213      9.91886        -0.000222      0.000258      0.000155
      7.40539      5.69932      9.94280        -0.005189     -0.000473     -0.004755
      6.17079      7.83575      9.93335        -0.003837      0.002651     -0.002466
      4.93481      9.97349      9.88492        -0.004002      0.001804     -0.000859
 -----------------------------------------------------------------------------------
    total drift:                               -0.001840      0.000339      0.020907


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




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


    WAVPRE:  VPU time    1.95: CPU time    1.94
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  184.10: CPU time   92.43
     LOOP+:  VPU time 5436.25: CPU time 2801.59


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


    POTLOK:  VPU time    9.26: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1826.06: CPU time  943.57
 BZINTS: Fermi energy: -3.239529;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.17: CPU time   58.82
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1952.06: CPU time 1011.98

 eigenvalue-minimisations  :  6032
 total energy-change (2. order) :-0.4696488E+03  (-0.4396358E-03)
 number of electron  212.0000051 magnetization    0.0000000
 augmentation part     7.9547188 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.14927E-02    rms(broyden)= 0.14912E-02
  rms(prec ) = 0.16158E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34273.92140603
  -1/2 Hartree   DENC   =    -41168.93875143
  -V(xc)+E(xc)   XCENC  =       726.33105832
  PAW double counting   =      4067.74398553    -4106.39706233
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.74928551
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64879578 eV

  energy without entropy =     -469.64879578  energy(sigma->0) =     -469.64879578


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




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


    POTLOK:  VPU time    9.17: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1340.64: CPU time  694.85
 BZINTS: Fermi energy: -3.239931;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1350.21: CPU time  704.39

 eigenvalue-minimisations  :  3904
 total energy-change (2. order) :-0.1149931E-05  (-0.7514759E-05)
 number of electron  212.0000051 magnetization    0.0000000
 augmentation part     7.9547188 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34273.92140603
  -1/2 Hartree   DENC   =    -41168.96942707
  -V(xc)+E(xc)   XCENC  =       726.33163874
  PAW double counting   =      4067.75581270    -4106.40946603
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.71861490
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -469.64879693 eV

  energy without entropy =     -469.64879693  energy(sigma->0) =     -469.64879693


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




 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 -59.0141       2 -37.4855       3 -37.4854       4 -58.3174       5 -58.2917
       6 -58.3045       7 -58.3017       8 -58.3108       9 -58.3108      10 -58.2851
      11 -58.3236      12 -58.2806      13 -58.3220      14 -58.3017      15 -58.3006
      16 -58.3978      17 -58.9700      18 -58.2806      19 -58.3045      20 -58.3066
      21 -58.2926      22 -58.3978      23 -58.3236      24 -58.2918      25 -58.3276
      26 -58.3066      27 -58.3006      28 -58.2852      29 -58.2916      30 -58.2850
      31 -58.3005      32 -58.3066      33 -58.3275      34 -58.3044      35 -58.3235
      36 -58.3978      37 -58.2926      38 -58.3065      39 -58.3015      40 -58.2805
      41 -58.9700      42 -58.3978      43 -58.3005      44 -58.3107      45 -58.3219
      46 -58.2805      47 -58.3235      48 -58.2851      49 -58.3173      50 -58.3107
      51 -58.3016      52 -58.3044      53 -58.2917
 
 
 
 E-fermi :  -3.2399     XC(G=0):  -2.3365     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     -22.3708      1.00000
      2     -21.5023      1.00000
      3     -21.4295      1.00000
      4     -21.4294      1.00000
      5     -21.4174      1.00000
      6     -21.4058      1.00000
      7     -21.4030      1.00000
      8     -19.6643      1.00000
      9     -19.5959      1.00000
     10     -19.5909      1.00000
     11     -19.5788      1.00000
     12     -19.5668      1.00000
     13     -19.5638      1.00000
     14     -18.7643      1.00000
     15     -18.7024      1.00000
     16     -18.6952      1.00000
     17     -18.6811      1.00000
     18     -18.6731      1.00000
     19     -18.6685      1.00000
     20     -16.6301      1.00000
     21     -16.5486      1.00000
     22     -16.5427      1.00000
     23     -16.5338      1.00000
     24     -16.5255      1.00000
     25     -16.5210      1.00000
     26     -15.6073      1.00000
     27     -15.5637      1.00000
     28     -15.5233      1.00000
     29     -15.5208      1.00000
     30     -15.5170      1.00000
     31     -15.5137      1.00000
     32     -14.2551      1.00000
     33     -14.2201      1.00000
     34     -14.1941      1.00000
     35     -14.1931      1.00000
     36     -14.1739      1.00000
     37     -14.1700      1.00000
     38     -11.9837      1.00000
     39     -11.8713      1.00000
     40     -11.8234      1.00000
     41     -11.8085      1.00000
     42     -11.8075      1.00000
     43     -11.8010      1.00000
     44     -11.7284      1.00000
     45     -11.7210      1.00000
     46     -11.7060      1.00000
     47     -11.6969      1.00000
     48     -11.6869      1.00000
     49     -11.6813      1.00000
     50     -10.6433      1.00000
     51     -10.3743      1.00000
     52     -10.3561      1.00000
     53     -10.3369      1.00000
     54     -10.3267      1.00000
     55     -10.3184      1.00000
     56     -10.2941      1.00000
     57      -9.7905      1.00000
     58      -9.4100      1.00000
     59      -9.3892      1.00000
     60      -9.3522      1.00000
     61      -9.3413      1.00000
     62      -9.3320      1.00000
     63      -9.1761      1.00000
     64      -9.0765      1.00000
     65      -9.0748      1.00000
     66      -9.0628      1.00000
     67      -9.0602      1.00000
     68      -9.0314      1.00000
     69      -9.0273      1.00000
     70      -9.0249      1.00000
     71      -9.0137      1.00000
     72      -9.0038      1.00000
     73      -8.9930      1.00000
     74      -8.9723      1.00000
     75      -7.9906      1.00000
     76      -7.6998      1.00000
     77      -7.5049      1.00000
     78      -7.4859      1.00000
     79      -7.4592      1.00000
     80      -7.4111      1.00000
     81      -7.3971      1.00000
     82      -7.3769      1.00000
     83      -7.3475      1.00000
     84      -7.2231      1.00000
     85      -7.1811      1.00000
     86      -7.1761      1.00000
     87      -7.1726      1.00000
     88      -6.6146      1.00000
     89      -6.5765      1.00000
     90      -6.3656      1.00000
     91      -6.3565      1.00000
     92      -6.3159      1.00000
     93      -6.2921      1.00000
     94      -5.9439      1.00000
     95      -5.8916      1.00000
     96      -5.3636      1.00000
     97      -5.1906      1.00000
     98      -4.8393      1.00000
     99      -4.7186      1.00000
    100      -4.3660      1.00000
    101      -4.3566      1.00000
    102      -4.3450      1.00000
    103      -4.3339      1.00000
    104      -4.1686      1.00000
    105      -3.9326      1.00000
    106      -3.5987      1.00000
    107      -2.9192      0.00000
    108      -1.5537      0.00000
    109      -1.5487      0.00000
    110      -1.5365      0.00000
    111      -1.5354      0.00000
    112      -1.4789      0.00000
    113      -1.4617      0.00000
    114       0.0768      0.00000
    115       0.2368      0.00000
    116       0.2818      0.00000
    117       0.3021      0.00000
    118       0.3077      0.00000
    119       0.3749      0.00000
    120       0.6196      0.00000
    121       1.2693      0.00000
    122       1.3808      0.00000
    123       1.7087      0.00000
    124       1.7587      0.00000
    125       1.7892      0.00000
    126       1.7949      0.00000
    127       1.8582      0.00000
    128       1.8747      0.00000
    129       2.0025      0.00000
    130       2.0055      0.00000
    131       2.0168      0.00000
    132       2.0231      0.00000
    133       2.0238      0.00000
    134       2.0913      0.00000
    135       2.3231      0.00000
    136       2.4679      0.00000
    137       2.5780      0.00000
    138       2.6162      0.00000
    139       2.6538      0.00000
    140       2.7404      0.00000
    141       2.8736      0.00000
    142       3.0461      0.00000
    143       3.0873      0.00000
    144       3.0880      0.00000
    145       3.0891      0.00000
    146       3.0969      0.00000
    147       3.1014      0.00000
    148       3.4599      0.00000
    149       3.5496      0.00000
    150       3.5985      0.00000
    151       3.9409      0.00000
    152       3.9565      0.00000
    153       3.9711      0.00000
    154       3.9732      0.00000
    155       3.9819      0.00000
    156       4.0595      0.00000
    157       4.1623      0.00000
    158       4.2123      0.00000
    159       4.2629      0.00000
    160       4.2808      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3333      1.00000
      2     -21.7708      1.00000
      3     -21.5964      1.00000
      4     -21.5659      1.00000
      5     -21.2210      1.00000
      6     -21.1932      1.00000
      7     -21.0195      1.00000
      8     -20.1185      1.00000
      9     -20.0863      1.00000
     10     -19.5709      1.00000
     11     -19.5438      1.00000
     12     -19.3773      1.00000
     13     -19.0491      1.00000
     14     -19.0179      1.00000
     15     -19.0044      1.00000
     16     -18.9934      1.00000
     17     -18.3271      1.00000
     18     -18.3029      1.00000
     19     -17.9808      1.00000
     20     -17.0348      1.00000
     21     -16.9833      1.00000
     22     -16.9176      1.00000
     23     -16.8969      1.00000
     24     -16.4364      1.00000
     25     -16.4135      1.00000
     26     -15.5894      1.00000
     27     -15.5561      1.00000
     28     -15.2350      1.00000
     29     -15.1949      1.00000
     30     -15.1312      1.00000
     31     -15.0569      1.00000
     32     -15.0282      1.00000
     33     -14.6683      1.00000
     34     -14.6496      1.00000
     35     -13.7053      1.00000
     36     -13.6795      1.00000
     37     -13.2012      1.00000
     38     -12.5976      1.00000
     39     -12.5400      1.00000
     40     -12.4186      1.00000
     41     -12.4026      1.00000
     42     -12.1098      1.00000
     43     -12.0681      1.00000
     44     -11.6954      1.00000
     45     -11.6461      1.00000
     46     -11.2335      1.00000
     47     -11.1888      1.00000
     48     -11.0071      1.00000
     49     -10.9709      1.00000
     50     -10.9091      1.00000
     51     -10.8647      1.00000
     52     -10.5293      1.00000
     53     -10.1273      1.00000
     54     -10.1218      1.00000
     55     -10.0799      1.00000
     56      -9.9181      1.00000
     57      -9.7066      1.00000
     58      -9.6694      1.00000
     59      -9.6115      1.00000
     60      -9.5817      1.00000
     61      -9.5428      1.00000
     62      -9.4786      1.00000
     63      -9.2951      1.00000
     64      -9.2757      1.00000
     65      -9.2282      1.00000
     66      -9.1747      1.00000
     67      -9.1098      1.00000
     68      -9.0753      1.00000
     69      -9.0640      1.00000
     70      -8.9045      1.00000
     71      -8.8449      1.00000
     72      -8.6026      1.00000
     73      -8.5655      1.00000
     74      -8.1235      1.00000
     75      -8.0444      1.00000
     76      -7.9508      1.00000
     77      -7.8296      1.00000
     78      -7.7919      1.00000
     79      -7.7285      1.00000
     80      -7.6924      1.00000
     81      -7.3478      1.00000
     82      -7.3340      1.00000
     83      -7.3260      1.00000
     84      -7.2692      1.00000
     85      -7.0655      1.00000
     86      -6.9810      1.00000
     87      -6.8250      1.00000
     88      -6.7498      1.00000
     89      -6.6426      1.00000
     90      -6.5633      1.00000
     91      -6.1375      1.00000
     92      -6.1041      1.00000
     93      -6.0932      1.00000
     94      -5.9655      1.00000
     95      -5.7340      1.00000
     96      -5.3989      1.00000
     97      -5.2057      1.00000
     98      -4.9389      1.00000
     99      -4.8006      1.00000
    100      -4.6370      1.00000
    101      -4.5380      1.00000
    102      -4.4870      1.00000
    103      -4.3659      1.00000
    104      -4.0446      1.00000
    105      -3.8139      1.00000
    106      -3.5756      1.00000
    107      -2.9412      0.00000
    108      -1.7184      0.00000
    109      -1.6752      0.00000
    110      -1.2925      0.00000
    111      -1.2717      0.00000
    112      -1.2447      0.00000
    113      -1.2120      0.00000
    114      -0.5594      0.00000
    115      -0.1908      0.00000
    116      -0.1693      0.00000
    117       0.6312      0.00000
    118       0.6808      0.00000
    119       0.7270      0.00000
    120       0.9865      0.00000
    121       1.1173      0.00000
    122       1.2417      0.00000
    123       1.3465      0.00000
    124       1.4549      0.00000
    125       1.5007      0.00000
    126       1.7479      0.00000
    127       1.7706      0.00000
    128       1.8018      0.00000
    129       1.8598      0.00000
    130       1.9524      0.00000
    131       2.1776      0.00000
    132       2.2184      0.00000
    133       2.2783      0.00000
    134       2.4321      0.00000
    135       2.5103      0.00000
    136       2.6287      0.00000
    137       2.6962      0.00000
    138       2.7001      0.00000
    139       2.7872      0.00000
    140       2.8197      0.00000
    141       2.8625      0.00000
    142       2.8652      0.00000
    143       3.0039      0.00000
    144       3.0797      0.00000
    145       3.2896      0.00000
    146       3.3725      0.00000
    147       3.3802      0.00000
    148       3.4476      0.00000
    149       3.5398      0.00000
    150       3.6143      0.00000
    151       3.6658      0.00000
    152       3.7337      0.00000
    153       3.7751      0.00000
    154       3.9431      0.00000
    155       3.9673      0.00000
    156       4.0588      0.00000
    157       4.0989      0.00000
    158       4.1789      0.00000
    159       4.2550      0.00000
    160       4.2791      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2217      1.00000
      2     -22.0303      1.00000
      3     -21.6707      1.00000
      4     -21.6408      1.00000
      5     -20.9271      1.00000
      6     -20.8963      1.00000
      7     -20.5668      1.00000
      8     -20.5322      1.00000
      9     -20.5230      1.00000
     10     -19.9906      1.00000
     11     -19.4652      1.00000
     12     -19.4359      1.00000
     13     -19.2734      1.00000
     14     -19.2531      1.00000
     15     -18.4052      1.00000
     16     -18.3672      1.00000
     17     -17.8946      1.00000
     18     -17.8641      1.00000
     19     -17.7168      1.00000
     20     -17.6821      1.00000
     21     -17.4075      1.00000
     22     -17.3821      1.00000
     23     -17.3047      1.00000
     24     -16.4315      1.00000
     25     -16.4111      1.00000
     26     -15.9167      1.00000
     27     -15.3882      1.00000
     28     -15.3584      1.00000
     29     -15.0718      1.00000
     30     -15.0448      1.00000
     31     -14.8374      1.00000
     32     -14.8033      1.00000
     33     -14.2528      1.00000
     34     -14.2147      1.00000
     35     -13.4113      1.00000
     36     -13.3610      1.00000
     37     -13.1594      1.00000
     38     -13.1301      1.00000
     39     -12.9353      1.00000
     40     -12.9257      1.00000
     41     -12.6021      1.00000
     42     -12.5699      1.00000
     43     -12.1691      1.00000
     44     -11.5626      1.00000
     45     -11.5019      1.00000
     46     -11.3002      1.00000
     47     -11.2487      1.00000
     48     -11.1207      1.00000
     49     -10.6807      1.00000
     50     -10.6320      1.00000
     51     -10.4472      1.00000
     52     -10.2873      1.00000
     53     -10.2744      1.00000
     54     -10.1594      1.00000
     55     -10.0833      1.00000
     56     -10.0700      1.00000
     57      -9.7881      1.00000
     58      -9.7391      1.00000
     59      -9.6940      1.00000
     60      -9.6728      1.00000
     61      -9.6597      1.00000
     62      -9.5970      1.00000
     63      -9.3372      1.00000
     64      -9.3207      1.00000
     65      -9.2860      1.00000
     66      -9.0288      1.00000
     67      -8.9324      1.00000
     68      -8.8418      1.00000
     69      -8.7606      1.00000
     70      -8.5912      1.00000
     71      -8.4950      1.00000
     72      -8.3698      1.00000
     73      -8.3634      1.00000
     74      -8.3035      1.00000
     75      -8.2435      1.00000
     76      -8.2423      1.00000
     77      -8.2227      1.00000
     78      -8.1953      1.00000
     79      -7.8761      1.00000
     80      -7.7446      1.00000
     81      -7.3699      1.00000
     82      -7.3148      1.00000
     83      -7.2990      1.00000
     84      -7.2066      1.00000
     85      -7.1797      1.00000
     86      -6.9485      1.00000
     87      -6.9305      1.00000
     88      -6.5924      1.00000
     89      -6.5387      1.00000
     90      -6.2645      1.00000
     91      -6.2023      1.00000
     92      -5.9817      1.00000
     93      -5.8150      1.00000
     94      -5.6685      1.00000
     95      -5.5144      1.00000
     96      -5.3299      1.00000
     97      -5.3053      1.00000
     98      -5.1916      1.00000
     99      -5.1898      1.00000
    100      -5.1056      1.00000
    101      -4.6905      1.00000
    102      -4.5522      1.00000
    103      -4.4541      1.00000
    104      -3.9142      1.00000
    105      -3.7079      1.00000
    106      -3.5402      1.00000
    107      -2.9633      0.00000
    108      -1.8171      0.00000
    109      -1.7615      0.00000
    110      -1.0850      0.00000
    111      -0.9711      0.00000
    112      -0.9408      0.00000
    113      -0.6469      0.00000
    114      -0.6047      0.00000
    115      -0.5685      0.00000
    116      -0.5303      0.00000
    117       0.1763      0.00000
    118       0.2573      0.00000
    119       0.7947      0.00000
    120       1.0100      0.00000
    121       1.1171      0.00000
    122       1.1691      0.00000
    123       1.3590      0.00000
    124       1.4855      0.00000
    125       1.5930      0.00000
    126       1.5967      0.00000
    127       1.6980      0.00000
    128       1.9186      0.00000
    129       1.9590      0.00000
    130       2.0393      0.00000
    131       2.2016      0.00000
    132       2.3472      0.00000
    133       2.3918      0.00000
    134       2.4190      0.00000
    135       2.6073      0.00000
    136       2.6923      0.00000
    137       2.7533      0.00000
    138       2.7874      0.00000
    139       2.8556      0.00000
    140       3.0108      0.00000
    141       3.0596      0.00000
    142       3.0992      0.00000
    143       3.1465      0.00000
    144       3.2724      0.00000
    145       3.3339      0.00000
    146       3.4077      0.00000
    147       3.4756      0.00000
    148       3.5482      0.00000
    149       3.5909      0.00000
    150       3.6089      0.00000
    151       3.6896      0.00000
    152       3.7179      0.00000
    153       3.7831      0.00000
    154       3.7978      0.00000
    155       3.8075      0.00000
    156       3.9526      0.00000
    157       3.9693      0.00000
    158       4.0502      0.00000
    159       4.2029      0.00000
    160       4.2647      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2587      1.00000
      2     -21.8868      1.00000
      3     -21.8750      1.00000
      4     -21.3258      1.00000
      5     -21.3138      1.00000
      6     -20.7698      1.00000
      7     -20.7558      1.00000
      8     -20.5779      1.00000
      9     -20.0291      1.00000
     10     -20.0263      1.00000
     11     -19.6710      1.00000
     12     -19.6564      1.00000
     13     -18.9477      1.00000
     14     -18.9475      1.00000
     15     -18.5919      1.00000
     16     -18.5916      1.00000
     17     -18.4178      1.00000
     18     -17.6426      1.00000
     19     -17.5872      1.00000
     20     -17.5649      1.00000
     21     -17.5606      1.00000
     22     -17.0729      1.00000
     23     -17.0716      1.00000
     24     -16.9184      1.00000
     25     -15.9520      1.00000
     26     -15.9039      1.00000
     27     -15.5474      1.00000
     28     -15.5304      1.00000
     29     -15.2686      1.00000
     30     -14.8164      1.00000
     31     -14.7934      1.00000
     32     -14.5405      1.00000
     33     -14.5107      1.00000
     34     -14.1305      1.00000
     35     -14.1269      1.00000
     36     -13.1036      1.00000
     37     -13.0406      1.00000
     38     -13.0186      1.00000
     39     -12.9869      1.00000
     40     -12.6758      1.00000
     41     -12.6740      1.00000
     42     -12.2866      1.00000
     43     -12.2807      1.00000
     44     -11.6523      1.00000
     45     -11.5988      1.00000
     46     -11.5391      1.00000
     47     -10.9396      1.00000
     48     -10.8906      1.00000
     49     -10.6373      1.00000
     50     -10.5962      1.00000
     51     -10.4739      1.00000
     52     -10.4632      1.00000
     53     -10.4052      1.00000
     54     -10.4026      1.00000
     55     -10.3150      1.00000
     56     -10.0388      1.00000
     57      -9.8752      1.00000
     58      -9.5850      1.00000
     59      -9.5224      1.00000
     60      -9.5016      1.00000
     61      -9.3776      1.00000
     62      -9.3710      1.00000
     63      -9.3406      1.00000
     64      -9.2937      1.00000
     65      -9.2407      1.00000
     66      -9.1701      1.00000
     67      -9.1262      1.00000
     68      -9.0824      1.00000
     69      -8.8437      1.00000
     70      -8.8234      1.00000
     71      -8.6809      1.00000
     72      -8.5741      1.00000
     73      -8.4191      1.00000
     74      -8.1994      1.00000
     75      -8.1514      1.00000
     76      -7.9759      1.00000
     77      -7.8826      1.00000
     78      -7.8199      1.00000
     79      -7.7926      1.00000
     80      -7.7656      1.00000
     81      -7.6756      1.00000
     82      -7.6211      1.00000
     83      -7.4094      1.00000
     84      -7.3502      1.00000
     85      -6.8994      1.00000
     86      -6.8900      1.00000
     87      -6.7318      1.00000
     88      -6.6466      1.00000
     89      -6.4085      1.00000
     90      -6.3300      1.00000
     91      -6.2878      1.00000
     92      -6.1836      1.00000
     93      -5.9719      1.00000
     94      -5.5804      1.00000
     95      -5.4793      1.00000
     96      -5.4120      1.00000
     97      -5.3710      1.00000
     98      -5.1940      1.00000
     99      -5.1045      1.00000
    100      -4.7522      1.00000
    101      -4.7034      1.00000
    102      -4.5719      1.00000
    103      -4.4221      1.00000
    104      -4.2017      1.00000
    105      -3.5592      1.00000
    106      -3.3940      1.00000
    107      -3.0466      0.00000
    108      -2.1023      0.00000
    109      -1.2447      0.00000
    110      -1.2038      0.00000
    111      -1.1751      0.00000
    112      -0.9317      0.00000
    113      -0.8325      0.00000
    114      -0.7836      0.00000
    115      -0.7006      0.00000
    116       0.1972      0.00000
    117       0.2021      0.00000
    118       0.3069      0.00000
    119       0.7733      0.00000
    120       0.8231      0.00000
    121       0.9132      0.00000
    122       1.1242      0.00000
    123       1.3323      0.00000
    124       1.5105      0.00000
    125       1.5942      0.00000
    126       1.8092      0.00000
    127       1.8364      0.00000
    128       1.8835      0.00000
    129       1.9722      0.00000
    130       2.0001      0.00000
    131       2.2576      0.00000
    132       2.4016      0.00000
    133       2.4335      0.00000
    134       2.4557      0.00000
    135       2.5577      0.00000
    136       2.5944      0.00000
    137       2.6332      0.00000
    138       2.7238      0.00000
    139       2.7345      0.00000
    140       2.9688      0.00000
    141       3.0704      0.00000
    142       3.1369      0.00000
    143       3.2072      0.00000
    144       3.2498      0.00000
    145       3.2543      0.00000
    146       3.3153      0.00000
    147       3.3630      0.00000
    148       3.5286      0.00000
    149       3.5293      0.00000
    150       3.6304      0.00000
    151       3.6985      0.00000
    152       3.7657      0.00000
    153       3.8175      0.00000
    154       3.9316      0.00000
    155       3.9896      0.00000
    156       4.0084      0.00000
    157       4.0096      0.00000
    158       4.0315      0.00000
    159       4.0412      0.00000
    160       4.1474      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1267      1.00000
      2     -22.0883      1.00000
      3     -21.9171      1.00000
      4     -21.3577      1.00000
      5     -21.0031      1.00000
      6     -20.9671      1.00000
      7     -20.4515      1.00000
      8     -20.4134      1.00000
      9     -20.2604      1.00000
     10     -20.2303      1.00000
     11     -19.8994      1.00000
     12     -19.8617      1.00000
     13     -18.8266      1.00000
     14     -18.7832      1.00000
     15     -18.3111      1.00000
     16     -18.2603      1.00000
     17     -18.1207      1.00000
     18     -18.0908      1.00000
     19     -17.7848      1.00000
     20     -17.7454      1.00000
     21     -17.2252      1.00000
     22     -17.1926      1.00000
     23     -17.1322      1.00000
     24     -17.0925      1.00000
     25     -16.0567      1.00000
     26     -15.8587      1.00000
     27     -15.8207      1.00000
     28     -15.7882      1.00000
     29     -15.2088      1.00000
     30     -14.5296      1.00000
     31     -14.4835      1.00000
     32     -14.2532      1.00000
     33     -13.9293      1.00000
     34     -13.9170      1.00000
     35     -13.7916      1.00000
     36     -13.7613      1.00000
     37     -13.5819      1.00000
     38     -13.5332      1.00000
     39     -13.3220      1.00000
     40     -12.5836      1.00000
     41     -12.1751      1.00000
     42     -12.1002      1.00000
     43     -12.0343      1.00000
     44     -11.9891      1.00000
     45     -11.6559      1.00000
     46     -11.6207      1.00000
     47     -11.1374      1.00000
     48     -11.0825      1.00000
     49     -10.7801      1.00000
     50     -10.7036      1.00000
     51     -10.4036      1.00000
     52     -10.1924      1.00000
     53     -10.1670      1.00000
     54     -10.1260      1.00000
     55      -9.9933      1.00000
     56      -9.9819      1.00000
     57      -9.9400      1.00000
     58      -9.7938      1.00000
     59      -9.7704      1.00000
     60      -9.7409      1.00000
     61      -9.7202      1.00000
     62      -9.4367      1.00000
     63      -9.3348      1.00000
     64      -9.0885      1.00000
     65      -9.0443      1.00000
     66      -9.0022      1.00000
     67      -8.8911      1.00000
     68      -8.8248      1.00000
     69      -8.7081      1.00000
     70      -8.6652      1.00000
     71      -8.5664      1.00000
     72      -8.5066      1.00000
     73      -8.4715      1.00000
     74      -8.4370      1.00000
     75      -8.3319      1.00000
     76      -8.1980      1.00000
     77      -8.0663      1.00000
     78      -7.9802      1.00000
     79      -7.9092      1.00000
     80      -7.8797      1.00000
     81      -7.6951      1.00000
     82      -7.5613      1.00000
     83      -7.4927      1.00000
     84      -6.9788      1.00000
     85      -6.9090      1.00000
     86      -6.8588      1.00000
     87      -6.7411      1.00000
     88      -6.5203      1.00000
     89      -6.4678      1.00000
     90      -6.3782      1.00000
     91      -6.1931      1.00000
     92      -5.9297      1.00000
     93      -5.7955      1.00000
     94      -5.7500      1.00000
     95      -5.5568      1.00000
     96      -5.3755      1.00000
     97      -5.2431      1.00000
     98      -5.1952      1.00000
     99      -5.1819      1.00000
    100      -5.1202      1.00000
    101      -4.8092      1.00000
    102      -4.5418      1.00000
    103      -4.4605      1.00000
    104      -4.2460      1.00000
    105      -3.5602      1.00000
    106      -3.2887      1.00000
    107      -2.9365      0.00000
    108      -2.3428      0.00000
    109      -1.1822      0.00000
    110      -1.1636      0.00000
    111      -1.1140      0.00000
    112      -1.0582      0.00000
    113      -0.5028      0.00000
    114      -0.4558      0.00000
    115      -0.2968      0.00000
    116      -0.2720      0.00000
    117       0.0011      0.00000
    118       0.0360      0.00000
    119       0.5325      0.00000
    120       0.6433      0.00000
    121       0.8891      0.00000
    122       0.9859      0.00000
    123       1.1930      0.00000
    124       1.5412      0.00000
    125       1.7746      0.00000
    126       1.7943      0.00000
    127       2.0080      0.00000
    128       2.1342      0.00000
    129       2.1459      0.00000
    130       2.1539      0.00000
    131       2.2690      0.00000
    132       2.3150      0.00000
    133       2.3726      0.00000
    134       2.4664      0.00000
    135       2.6702      0.00000
    136       2.7557      0.00000
    137       2.8005      0.00000
    138       2.8807      0.00000
    139       2.9751      0.00000
    140       3.0187      0.00000
    141       3.0696      0.00000
    142       3.1267      0.00000
    143       3.1749      0.00000
    144       3.2501      0.00000
    145       3.2735      0.00000
    146       3.3054      0.00000
    147       3.3335      0.00000
    148       3.3537      0.00000
    149       3.4230      0.00000
    150       3.5477      0.00000
    151       3.6432      0.00000
    152       3.6864      0.00000
    153       3.7133      0.00000
    154       3.7199      0.00000
    155       3.7421      0.00000
    156       3.7998      0.00000
    157       3.9736      0.00000
    158       4.0728      0.00000
    159       4.1545      0.00000
    160       4.2800      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2582      1.00000
      2     -21.8999      1.00000
      3     -21.8620      1.00000
      4     -21.3376      1.00000
      5     -21.3018      1.00000
      6     -20.7817      1.00000
      7     -20.7436      1.00000
      8     -20.5774      1.00000
      9     -20.0468      1.00000
     10     -20.0111      1.00000
     11     -19.6801      1.00000
     12     -19.6450      1.00000
     13     -18.9677      1.00000
     14     -18.9300      1.00000
     15     -18.6123      1.00000
     16     -18.5745      1.00000
     17     -18.4167      1.00000
     18     -17.6320      1.00000
     19     -17.5860      1.00000
     20     -17.5656      1.00000
     21     -17.5483      1.00000
     22     -17.0977      1.00000
     23     -17.0549      1.00000
     24     -16.9382      1.00000
     25     -15.9813      1.00000
     26     -15.8691      1.00000
     27     -15.5666      1.00000
     28     -15.5276      1.00000
     29     -15.2307      1.00000
     30     -14.8490      1.00000
     31     -14.7910      1.00000
     32     -14.5375      1.00000
     33     -14.4994      1.00000
     34     -14.1284      1.00000
     35     -14.1160      1.00000
     36     -13.1558      1.00000
     37     -13.0489      1.00000
     38     -12.9957      1.00000
     39     -12.9755      1.00000
     40     -12.6990      1.00000
     41     -12.6537      1.00000
     42     -12.2970      1.00000
     43     -12.2784      1.00000
     44     -11.6194      1.00000
     45     -11.5859      1.00000
     46     -11.5253      1.00000
     47     -10.9218      1.00000
     48     -10.8965      1.00000
     49     -10.7119      1.00000
     50     -10.5657      1.00000
     51     -10.5342      1.00000
     52     -10.4661      1.00000
     53     -10.4252      1.00000
     54     -10.3661      1.00000
     55     -10.3143      1.00000
     56     -10.0337      1.00000
     57      -9.8694      1.00000
     58      -9.6010      1.00000
     59      -9.5215      1.00000
     60      -9.4534      1.00000
     61      -9.4041      1.00000
     62      -9.3714      1.00000
     63      -9.3405      1.00000
     64      -9.2972      1.00000
     65      -9.2454      1.00000
     66      -9.1345      1.00000
     67      -9.0877      1.00000
     68      -9.0711      1.00000
     69      -8.8504      1.00000
     70      -8.8330      1.00000
     71      -8.7025      1.00000
     72      -8.5593      1.00000
     73      -8.4371      1.00000
     74      -8.1979      1.00000
     75      -8.1702      1.00000
     76      -8.0398      1.00000
     77      -7.8669      1.00000
     78      -7.8028      1.00000
     79      -7.7704      1.00000
     80      -7.7176      1.00000
     81      -7.6792      1.00000
     82      -7.6409      1.00000
     83      -7.4465      1.00000
     84      -7.3073      1.00000
     85      -6.9181      1.00000
     86      -6.8882      1.00000
     87      -6.7767      1.00000
     88      -6.5573      1.00000
     89      -6.3882      1.00000
     90      -6.3226      1.00000
     91      -6.2776      1.00000
     92      -6.1697      1.00000
     93      -6.0675      1.00000
     94      -5.7834      1.00000
     95      -5.5314      1.00000
     96      -5.3556      1.00000
     97      -5.2029      1.00000
     98      -5.1760      1.00000
     99      -5.0303      1.00000
    100      -4.8134      1.00000
    101      -4.6692      1.00000
    102      -4.4952      1.00000
    103      -4.4338      1.00000
    104      -4.2372      1.00000
    105      -3.6319      1.00000
    106      -3.5511      1.00000
    107      -2.8422      0.00000
    108      -2.1345      0.00000
    109      -1.2450      0.00000
    110      -1.1887      0.00000
    111      -1.1771      0.00000
    112      -0.8850      0.00000
    113      -0.8666      0.00000
    114      -0.7857      0.00000
    115      -0.7525      0.00000
    116       0.1436      0.00000
    117       0.2450      0.00000
    118       0.3170      0.00000
    119       0.7256      0.00000
    120       0.8590      0.00000
    121       0.9372      0.00000
    122       1.1699      0.00000
    123       1.2667      0.00000
    124       1.5232      0.00000
    125       1.5924      0.00000
    126       1.7992      0.00000
    127       1.8863      0.00000
    128       1.8987      0.00000
    129       1.9771      0.00000
    130       2.0578      0.00000
    131       2.2298      0.00000
    132       2.3502      0.00000
    133       2.4399      0.00000
    134       2.4577      0.00000
    135       2.5785      0.00000
    136       2.6081      0.00000
    137       2.6645      0.00000
    138       2.7238      0.00000
    139       2.7676      0.00000
    140       2.9079      0.00000
    141       3.0571      0.00000
    142       3.1533      0.00000
    143       3.2115      0.00000
    144       3.2391      0.00000
    145       3.2522      0.00000
    146       3.2905      0.00000
    147       3.3594      0.00000
    148       3.4494      0.00000
    149       3.5639      0.00000
    150       3.6147      0.00000
    151       3.6965      0.00000
    152       3.7369      0.00000
    153       3.8670      0.00000
    154       3.9074      0.00000
    155       3.9465      0.00000
    156       3.9701      0.00000
    157       4.0289      0.00000
    158       4.0325      0.00000
    159       4.0448      0.00000
    160       4.0888      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3332      1.00000
      2     -21.7727      1.00000
      3     -21.5920      1.00000
      4     -21.5675      1.00000
      5     -21.2228      1.00000
      6     -21.1936      1.00000
      7     -21.0178      1.00000
      8     -20.1183      1.00000
      9     -20.0866      1.00000
     10     -19.5759      1.00000
     11     -19.5422      1.00000
     12     -19.3717      1.00000
     13     -19.0599      1.00000
     14     -19.0198      1.00000
     15     -19.0029      1.00000
     16     -18.9852      1.00000
     17     -18.3326      1.00000
     18     -18.3021      1.00000
     19     -17.9724      1.00000
     20     -17.0224      1.00000
     21     -16.9809      1.00000
     22     -16.9249      1.00000
     23     -16.8994      1.00000
     24     -16.4548      1.00000
     25     -16.4198      1.00000
     26     -15.5756      1.00000
     27     -15.5469      1.00000
     28     -15.2027      1.00000
     29     -15.1807      1.00000
     30     -15.1619      1.00000
     31     -15.0825      1.00000
     32     -15.0290      1.00000
     33     -14.6700      1.00000
     34     -14.6430      1.00000
     35     -13.7035      1.00000
     36     -13.6709      1.00000
     37     -13.2064      1.00000
     38     -12.6389      1.00000
     39     -12.5385      1.00000
     40     -12.4254      1.00000
     41     -12.4032      1.00000
     42     -12.0732      1.00000
     43     -12.0515      1.00000
     44     -11.6775      1.00000
     45     -11.6451      1.00000
     46     -11.2871      1.00000
     47     -11.1854      1.00000
     48     -10.9948      1.00000
     49     -10.9636      1.00000
     50     -10.8882      1.00000
     51     -10.8556      1.00000
     52     -10.5617      1.00000
     53     -10.2058      1.00000
     54     -10.1162      1.00000
     55     -10.0587      1.00000
     56      -9.8895      1.00000
     57      -9.6618      1.00000
     58      -9.6615      1.00000
     59      -9.6257      1.00000
     60      -9.6006      1.00000
     61      -9.5326      1.00000
     62      -9.4733      1.00000
     63      -9.3119      1.00000
     64      -9.2640      1.00000
     65      -9.2216      1.00000
     66      -9.1928      1.00000
     67      -9.0946      1.00000
     68      -9.0904      1.00000
     69      -9.0679      1.00000
     70      -8.9020      1.00000
     71      -8.8388      1.00000
     72      -8.5728      1.00000
     73      -8.5595      1.00000
     74      -8.1713      1.00000
     75      -8.0109      1.00000
     76      -7.9493      1.00000
     77      -7.8828      1.00000
     78      -7.7764      1.00000
     79      -7.7271      1.00000
     80      -7.7128      1.00000
     81      -7.4014      1.00000
     82      -7.2821      1.00000
     83      -7.2443      1.00000
     84      -7.2183      1.00000
     85      -7.1529      1.00000
     86      -6.9679      1.00000
     87      -6.8568      1.00000
     88      -6.6934      1.00000
     89      -6.6622      1.00000
     90      -6.5845      1.00000
     91      -6.1593      1.00000
     92      -6.0869      1.00000
     93      -6.0724      1.00000
     94      -5.9090      1.00000
     95      -5.8818      1.00000
     96      -5.3770      1.00000
     97      -5.1886      1.00000
     98      -4.8725      1.00000
     99      -4.8576      1.00000
    100      -4.6453      1.00000
    101      -4.5253      1.00000
    102      -4.3915      1.00000
    103      -4.2669      1.00000
    104      -4.0641      1.00000
    105      -4.0392      1.00000
    106      -3.5699      1.00000
    107      -2.8635      0.00000
    108      -1.7030      0.00000
    109      -1.6979      0.00000
    110      -1.3064      0.00000
    111      -1.2610      0.00000
    112      -1.2297      0.00000
    113      -1.2283      0.00000
    114      -0.5664      0.00000
    115      -0.2541      0.00000
    116      -0.1137      0.00000
    117       0.5863      0.00000
    118       0.6780      0.00000
    119       0.8094      0.00000
    120       0.9587      0.00000
    121       1.1402      0.00000
    122       1.2056      0.00000
    123       1.2859      0.00000
    124       1.4637      0.00000
    125       1.6250      0.00000
    126       1.6929      0.00000
    127       1.7826      0.00000
    128       1.7896      0.00000
    129       1.9132      0.00000
    130       1.9417      0.00000
    131       2.1877      0.00000
    132       2.2002      0.00000
    133       2.2447      0.00000
    134       2.4764      0.00000
    135       2.5172      0.00000
    136       2.6134      0.00000
    137       2.6442      0.00000
    138       2.7106      0.00000
    139       2.8362      0.00000
    140       2.8472      0.00000
    141       2.8610      0.00000
    142       2.9683      0.00000
    143       2.9880      0.00000
    144       3.0345      0.00000
    145       3.1583      0.00000
    146       3.3652      0.00000
    147       3.3908      0.00000
    148       3.4345      0.00000
    149       3.5962      0.00000
    150       3.6325      0.00000
    151       3.6402      0.00000
    152       3.6888      0.00000
    153       3.8043      0.00000
    154       3.8226      0.00000
    155       4.0231      0.00000
    156       4.0393      0.00000
    157       4.0675      0.00000
    158       4.1473      0.00000
    159       4.2514      0.00000
    160       4.3650      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1163      1.00000
      2     -22.1007      1.00000
      3     -21.9152      1.00000
      4     -21.3580      1.00000
      5     -20.9910      1.00000
      6     -20.9793      1.00000
      7     -20.4396      1.00000
      8     -20.4258      1.00000
      9     -20.2461      1.00000
     10     -20.2443      1.00000
     11     -19.8872      1.00000
     12     -19.8739      1.00000
     13     -18.8213      1.00000
     14     -18.7953      1.00000
     15     -18.2824      1.00000
     16     -18.2765      1.00000
     17     -18.1117      1.00000
     18     -18.1052      1.00000
     19     -17.7644      1.00000
     20     -17.7601      1.00000
     21     -17.2293      1.00000
     22     -17.2014      1.00000
     23     -17.1132      1.00000
     24     -17.0989      1.00000
     25     -16.0911      1.00000
     26     -15.8313      1.00000
     27     -15.8214      1.00000
     28     -15.8050      1.00000
     29     -15.1816      1.00000
     30     -14.5113      1.00000
     31     -14.4978      1.00000
     32     -14.2269      1.00000
     33     -13.9625      1.00000
     34     -13.9250      1.00000
     35     -13.7889      1.00000
     36     -13.7770      1.00000
     37     -13.5583      1.00000
     38     -13.5391      1.00000
     39     -13.3288      1.00000
     40     -12.6098      1.00000
     41     -12.1290      1.00000
     42     -12.1181      1.00000
     43     -12.0059      1.00000
     44     -11.9897      1.00000
     45     -11.6507      1.00000
     46     -11.6358      1.00000
     47     -11.1390      1.00000
     48     -11.1020      1.00000
     49     -10.7592      1.00000
     50     -10.7023      1.00000
     51     -10.4413      1.00000
     52     -10.1719      1.00000
     53     -10.1643      1.00000
     54     -10.1482      1.00000
     55     -10.0017      1.00000
     56      -9.9627      1.00000
     57      -9.9362      1.00000
     58      -9.8129      1.00000
     59      -9.7638      1.00000
     60      -9.7431      1.00000
     61      -9.7283      1.00000
     62      -9.4322      1.00000
     63      -9.3316      1.00000
     64      -9.0769      1.00000
     65      -9.0395      1.00000
     66      -8.9678      1.00000
     67      -8.9403      1.00000
     68      -8.8000      1.00000
     69      -8.6819      1.00000
     70      -8.6658      1.00000
     71      -8.5471      1.00000
     72      -8.5146      1.00000
     73      -8.4430      1.00000
     74      -8.4366      1.00000
     75      -8.2990      1.00000
     76      -8.2308      1.00000
     77      -8.1116      1.00000
     78      -8.0478      1.00000
     79      -8.0232      1.00000
     80      -7.7891      1.00000
     81      -7.6008      1.00000
     82      -7.5924      1.00000
     83      -7.4601      1.00000
     84      -7.0022      1.00000
     85      -6.9476      1.00000
     86      -6.8618      1.00000
     87      -6.5745      1.00000
     88      -6.5404      1.00000
     89      -6.4606      1.00000
     90      -6.4065      1.00000
     91      -6.3305      1.00000
     92      -5.9848      1.00000
     93      -5.7680      1.00000
     94      -5.7268      1.00000
     95      -5.5593      1.00000
     96      -5.3787      1.00000
     97      -5.2030      1.00000
     98      -5.1978      1.00000
     99      -5.1767      1.00000
    100      -5.1559      1.00000
    101      -4.6487      1.00000
    102      -4.5038      1.00000
    103      -4.4449      1.00000
    104      -4.3861      1.00000
    105      -3.5761      1.00000
    106      -3.4313      1.00000
    107      -2.7312      0.00000
    108      -2.4069      0.00000
    109      -1.1647      0.00000
    110      -1.1564      0.00000
    111      -1.1462      0.00000
    112      -1.0510      0.00000
    113      -0.4881      0.00000
    114      -0.4781      0.00000
    115      -0.3230      0.00000
    116      -0.2464      0.00000
    117       0.0058      0.00000
    118       0.0088      0.00000
    119       0.5231      0.00000
    120       0.6651      0.00000
    121       0.8265      0.00000
    122       1.0101      0.00000
    123       1.2493      0.00000
    124       1.5138      0.00000
    125       1.7716      0.00000
    126       1.9619      0.00000
    127       1.9705      0.00000
    128       2.0333      0.00000
    129       2.1386      0.00000
    130       2.1808      0.00000
    131       2.2902      0.00000
    132       2.2963      0.00000
    133       2.3745      0.00000
    134       2.5642      0.00000
    135       2.6392      0.00000
    136       2.6919      0.00000
    137       2.8561      0.00000
    138       2.8958      0.00000
    139       2.9692      0.00000
    140       3.0179      0.00000
    141       3.1393      0.00000
    142       3.1502      0.00000
    143       3.1562      0.00000
    144       3.1892      0.00000
    145       3.2503      0.00000
    146       3.2575      0.00000
    147       3.3430      0.00000
    148       3.3564      0.00000
    149       3.4351      0.00000
    150       3.4555      0.00000
    151       3.5260      0.00000
    152       3.6578      0.00000
    153       3.7010      0.00000
    154       3.7228      0.00000
    155       3.8490      0.00000
    156       3.9195      0.00000
    157       3.9770      0.00000
    158       4.0095      0.00000
    159       4.1318      0.00000
    160       4.2246      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2206      1.00000
      2     -22.0327      1.00000
      3     -21.6678      1.00000
      4     -21.6423      1.00000
      5     -20.9270      1.00000
      6     -20.8968      1.00000
      7     -20.5573      1.00000
      8     -20.5374      1.00000
      9     -20.5267      1.00000
     10     -19.9902      1.00000
     11     -19.4658      1.00000
     12     -19.4337      1.00000
     13     -19.2803      1.00000
     14     -19.2534      1.00000
     15     -18.3984      1.00000
     16     -18.3667      1.00000
     17     -17.8967      1.00000
     18     -17.8649      1.00000
     19     -17.7137      1.00000
     20     -17.6796      1.00000
     21     -17.4119      1.00000
     22     -17.3815      1.00000
     23     -17.2928      1.00000
     24     -16.4541      1.00000
     25     -16.4148      1.00000
     26     -15.9355      1.00000
     27     -15.3789      1.00000
     28     -15.3507      1.00000
     29     -15.0674      1.00000
     30     -15.0375      1.00000
     31     -14.8084      1.00000
     32     -14.7874      1.00000
     33     -14.2851      1.00000
     34     -14.2140      1.00000
     35     -13.4422      1.00000
     36     -13.3598      1.00000
     37     -13.1521      1.00000
     38     -13.1201      1.00000
     39     -12.9599      1.00000
     40     -12.9298      1.00000
     41     -12.5859      1.00000
     42     -12.5584      1.00000
     43     -12.1725      1.00000
     44     -11.5349      1.00000
     45     -11.4986      1.00000
     46     -11.2736      1.00000
     47     -11.2445      1.00000
     48     -11.1296      1.00000
     49     -10.7660      1.00000
     50     -10.6264      1.00000
     51     -10.4490      1.00000
     52     -10.2804      1.00000
     53     -10.2738      1.00000
     54     -10.1652      1.00000
     55     -10.0893      1.00000
     56     -10.0561      1.00000
     57      -9.8042      1.00000
     58      -9.7034      1.00000
     59      -9.6894      1.00000
     60      -9.6822      1.00000
     61      -9.6695      1.00000
     62      -9.6034      1.00000
     63      -9.3431      1.00000
     64      -9.3158      1.00000
     65      -9.2873      1.00000
     66      -8.9677      1.00000
     67      -8.9279      1.00000
     68      -8.8783      1.00000
     69      -8.7466      1.00000
     70      -8.5604      1.00000
     71      -8.4825      1.00000
     72      -8.3989      1.00000
     73      -8.3591      1.00000
     74      -8.2852      1.00000
     75      -8.2394      1.00000
     76      -8.2240      1.00000
     77      -8.2093      1.00000
     78      -8.1932      1.00000
     79      -7.9973      1.00000
     80      -7.7782      1.00000
     81      -7.4132      1.00000
     82      -7.3176      1.00000
     83      -7.2386      1.00000
     84      -7.1391      1.00000
     85      -7.0953      1.00000
     86      -6.9556      1.00000
     87      -6.9087      1.00000
     88      -6.5846      1.00000
     89      -6.5573      1.00000
     90      -6.4354      1.00000
     91      -6.2474      1.00000
     92      -5.9022      1.00000
     93      -5.8227      1.00000
     94      -5.6739      1.00000
     95      -5.5837      1.00000
     96      -5.2932      1.00000
     97      -5.2596      1.00000
     98      -5.1828      1.00000
     99      -5.1818      1.00000
    100      -5.1595      1.00000
    101      -4.5245      1.00000
    102      -4.4579      1.00000
    103      -4.3991      1.00000
    104      -4.0758      1.00000
    105      -3.9278      1.00000
    106      -3.5227      1.00000
    107      -2.8130      0.00000
    108      -1.8039      0.00000
    109      -1.7917      0.00000
    110      -1.0772      0.00000
    111      -1.0097      0.00000
    112      -0.9258      0.00000
    113      -0.6543      0.00000
    114      -0.6050      0.00000
    115      -0.5698      0.00000
    116      -0.5271      0.00000
    117       0.1603      0.00000
    118       0.2632      0.00000
    119       0.7163      0.00000
    120       0.9774      0.00000
    121       1.0976      0.00000
    122       1.2571      0.00000
    123       1.4326      0.00000
    124       1.5376      0.00000
    125       1.6067      0.00000
    126       1.6416      0.00000
    127       1.6502      0.00000
    128       1.8519      0.00000
    129       1.9428      0.00000
    130       2.1264      0.00000
    131       2.2275      0.00000
    132       2.3545      0.00000
    133       2.3750      0.00000
    134       2.4732      0.00000
    135       2.6087      0.00000
    136       2.6677      0.00000
    137       2.7549      0.00000
    138       2.7581      0.00000
    139       2.8693      0.00000
    140       2.9762      0.00000
    141       3.0695      0.00000
    142       3.0797      0.00000
    143       3.1988      0.00000
    144       3.2974      0.00000
    145       3.3414      0.00000
    146       3.3589      0.00000
    147       3.4985      0.00000
    148       3.5377      0.00000
    149       3.5687      0.00000
    150       3.6042      0.00000
    151       3.6265      0.00000
    152       3.7018      0.00000
    153       3.7462      0.00000
    154       3.7968      0.00000
    155       3.7992      0.00000
    156       3.8660      0.00000
    157       3.9398      0.00000
    158       4.0334      0.00000
    159       4.0532      0.00000
    160       4.3011      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3708      1.00000
      2     -21.5023      1.00000
      3     -21.4295      1.00000
      4     -21.4294      1.00000
      5     -21.4174      1.00000
      6     -21.4058      1.00000
      7     -21.4030      1.00000
      8     -19.6643      1.00000
      9     -19.5959      1.00000
     10     -19.5909      1.00000
     11     -19.5788      1.00000
     12     -19.5668      1.00000
     13     -19.5638      1.00000
     14     -18.7643      1.00000
     15     -18.7024      1.00000
     16     -18.6952      1.00000
     17     -18.6811      1.00000
     18     -18.6731      1.00000
     19     -18.6685      1.00000
     20     -16.6301      1.00000
     21     -16.5486      1.00000
     22     -16.5427      1.00000
     23     -16.5338      1.00000
     24     -16.5255      1.00000
     25     -16.5210      1.00000
     26     -15.6073      1.00000
     27     -15.5637      1.00000
     28     -15.5233      1.00000
     29     -15.5208      1.00000
     30     -15.5170      1.00000
     31     -15.5137      1.00000
     32     -14.2551      1.00000
     33     -14.2201      1.00000
     34     -14.1941      1.00000
     35     -14.1931      1.00000
     36     -14.1739      1.00000
     37     -14.1700      1.00000
     38     -11.9837      1.00000
     39     -11.8713      1.00000
     40     -11.8234      1.00000
     41     -11.8085      1.00000
     42     -11.8075      1.00000
     43     -11.8010      1.00000
     44     -11.7284      1.00000
     45     -11.7210      1.00000
     46     -11.7060      1.00000
     47     -11.6969      1.00000
     48     -11.6869      1.00000
     49     -11.6813      1.00000
     50     -10.6433      1.00000
     51     -10.3743      1.00000
     52     -10.3561      1.00000
     53     -10.3369      1.00000
     54     -10.3267      1.00000
     55     -10.3184      1.00000
     56     -10.2941      1.00000
     57      -9.7905      1.00000
     58      -9.4100      1.00000
     59      -9.3892      1.00000
     60      -9.3522      1.00000
     61      -9.3413      1.00000
     62      -9.3320      1.00000
     63      -9.1761      1.00000
     64      -9.0765      1.00000
     65      -9.0748      1.00000
     66      -9.0628      1.00000
     67      -9.0602      1.00000
     68      -9.0314      1.00000
     69      -9.0273      1.00000
     70      -9.0249      1.00000
     71      -9.0137      1.00000
     72      -9.0038      1.00000
     73      -8.9930      1.00000
     74      -8.9723      1.00000
     75      -7.9906      1.00000
     76      -7.6998      1.00000
     77      -7.5049      1.00000
     78      -7.4859      1.00000
     79      -7.4592      1.00000
     80      -7.4111      1.00000
     81      -7.3971      1.00000
     82      -7.3769      1.00000
     83      -7.3475      1.00000
     84      -7.2231      1.00000
     85      -7.1811      1.00000
     86      -7.1761      1.00000
     87      -7.1726      1.00000
     88      -6.6146      1.00000
     89      -6.5765      1.00000
     90      -6.3656      1.00000
     91      -6.3565      1.00000
     92      -6.3159      1.00000
     93      -6.2921      1.00000
     94      -5.9439      1.00000
     95      -5.8916      1.00000
     96      -5.3636      1.00000
     97      -5.1906      1.00000
     98      -4.8393      1.00000
     99      -4.7186      1.00000
    100      -4.3660      1.00000
    101      -4.3566      1.00000
    102      -4.3450      1.00000
    103      -4.3339      1.00000
    104      -4.1686      1.00000
    105      -3.9326      1.00000
    106      -3.5987      1.00000
    107      -2.9192      0.00000
    108      -1.5537      0.00000
    109      -1.5487      0.00000
    110      -1.5365      0.00000
    111      -1.5354      0.00000
    112      -1.4789      0.00000
    113      -1.4617      0.00000
    114       0.0768      0.00000
    115       0.2368      0.00000
    116       0.2818      0.00000
    117       0.3021      0.00000
    118       0.3077      0.00000
    119       0.3749      0.00000
    120       0.6196      0.00000
    121       1.2693      0.00000
    122       1.3808      0.00000
    123       1.7087      0.00000
    124       1.7587      0.00000
    125       1.7892      0.00000
    126       1.7949      0.00000
    127       1.8582      0.00000
    128       1.8747      0.00000
    129       2.0025      0.00000
    130       2.0055      0.00000
    131       2.0168      0.00000
    132       2.0231      0.00000
    133       2.0238      0.00000
    134       2.0913      0.00000
    135       2.3231      0.00000
    136       2.4679      0.00000
    137       2.5780      0.00000
    138       2.6162      0.00000
    139       2.6538      0.00000
    140       2.7404      0.00000
    141       2.8736      0.00000
    142       3.0461      0.00000
    143       3.0873      0.00000
    144       3.0880      0.00000
    145       3.0891      0.00000
    146       3.0968      0.00000
    147       3.1013      0.00000
    148       3.4599      0.00000
    149       3.5496      0.00000
    150       3.5985      0.00000
    151       3.9409      0.00000
    152       3.9565      0.00000
    153       3.9711      0.00000
    154       3.9732      0.00000
    155       3.9819      0.00000
    156       4.0595      0.00000
    157       4.1623      0.00000
    158       4.2123      0.00000
    159       4.2629      0.00000
    160       4.2808      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3333      1.00000
      2     -21.7708      1.00000
      3     -21.5964      1.00000
      4     -21.5659      1.00000
      5     -21.2210      1.00000
      6     -21.1932      1.00000
      7     -21.0195      1.00000
      8     -20.1185      1.00000
      9     -20.0863      1.00000
     10     -19.5709      1.00000
     11     -19.5438      1.00000
     12     -19.3773      1.00000
     13     -19.0491      1.00000
     14     -19.0179      1.00000
     15     -19.0044      1.00000
     16     -18.9934      1.00000
     17     -18.3271      1.00000
     18     -18.3029      1.00000
     19     -17.9808      1.00000
     20     -17.0348      1.00000
     21     -16.9833      1.00000
     22     -16.9176      1.00000
     23     -16.8969      1.00000
     24     -16.4364      1.00000
     25     -16.4135      1.00000
     26     -15.5894      1.00000
     27     -15.5561      1.00000
     28     -15.2350      1.00000
     29     -15.1949      1.00000
     30     -15.1312      1.00000
     31     -15.0569      1.00000
     32     -15.0282      1.00000
     33     -14.6683      1.00000
     34     -14.6496      1.00000
     35     -13.7053      1.00000
     36     -13.6795      1.00000
     37     -13.2012      1.00000
     38     -12.5976      1.00000
     39     -12.5400      1.00000
     40     -12.4186      1.00000
     41     -12.4026      1.00000
     42     -12.1098      1.00000
     43     -12.0681      1.00000
     44     -11.6954      1.00000
     45     -11.6461      1.00000
     46     -11.2335      1.00000
     47     -11.1888      1.00000
     48     -11.0071      1.00000
     49     -10.9709      1.00000
     50     -10.9091      1.00000
     51     -10.8647      1.00000
     52     -10.5293      1.00000
     53     -10.1273      1.00000
     54     -10.1218      1.00000
     55     -10.0799      1.00000
     56      -9.9181      1.00000
     57      -9.7066      1.00000
     58      -9.6694      1.00000
     59      -9.6115      1.00000
     60      -9.5817      1.00000
     61      -9.5428      1.00000
     62      -9.4786      1.00000
     63      -9.2951      1.00000
     64      -9.2757      1.00000
     65      -9.2282      1.00000
     66      -9.1747      1.00000
     67      -9.1098      1.00000
     68      -9.0753      1.00000
     69      -9.0640      1.00000
     70      -8.9045      1.00000
     71      -8.8449      1.00000
     72      -8.6026      1.00000
     73      -8.5655      1.00000
     74      -8.1235      1.00000
     75      -8.0444      1.00000
     76      -7.9508      1.00000
     77      -7.8296      1.00000
     78      -7.7919      1.00000
     79      -7.7285      1.00000
     80      -7.6924      1.00000
     81      -7.3478      1.00000
     82      -7.3340      1.00000
     83      -7.3260      1.00000
     84      -7.2692      1.00000
     85      -7.0655      1.00000
     86      -6.9810      1.00000
     87      -6.8250      1.00000
     88      -6.7498      1.00000
     89      -6.6426      1.00000
     90      -6.5633      1.00000
     91      -6.1375      1.00000
     92      -6.1041      1.00000
     93      -6.0932      1.00000
     94      -5.9655      1.00000
     95      -5.7340      1.00000
     96      -5.3989      1.00000
     97      -5.2057      1.00000
     98      -4.9389      1.00000
     99      -4.8006      1.00000
    100      -4.6370      1.00000
    101      -4.5380      1.00000
    102      -4.4870      1.00000
    103      -4.3659      1.00000
    104      -4.0446      1.00000
    105      -3.8139      1.00000
    106      -3.5756      1.00000
    107      -2.9412      0.00000
    108      -1.7184      0.00000
    109      -1.6752      0.00000
    110      -1.2925      0.00000
    111      -1.2717      0.00000
    112      -1.2447      0.00000
    113      -1.2120      0.00000
    114      -0.5594      0.00000
    115      -0.1908      0.00000
    116      -0.1693      0.00000
    117       0.6312      0.00000
    118       0.6808      0.00000
    119       0.7270      0.00000
    120       0.9865      0.00000
    121       1.1173      0.00000
    122       1.2417      0.00000
    123       1.3465      0.00000
    124       1.4549      0.00000
    125       1.5007      0.00000
    126       1.7479      0.00000
    127       1.7706      0.00000
    128       1.8018      0.00000
    129       1.8598      0.00000
    130       1.9524      0.00000
    131       2.1776      0.00000
    132       2.2184      0.00000
    133       2.2783      0.00000
    134       2.4321      0.00000
    135       2.5103      0.00000
    136       2.6287      0.00000
    137       2.6962      0.00000
    138       2.7001      0.00000
    139       2.7872      0.00000
    140       2.8197      0.00000
    141       2.8625      0.00000
    142       2.8652      0.00000
    143       3.0039      0.00000
    144       3.0797      0.00000
    145       3.2896      0.00000
    146       3.3724      0.00000
    147       3.3802      0.00000
    148       3.4476      0.00000
    149       3.5398      0.00000
    150       3.6142      0.00000
    151       3.6658      0.00000
    152       3.7337      0.00000
    153       3.7751      0.00000
    154       3.9431      0.00000
    155       3.9673      0.00000
    156       4.0588      0.00000
    157       4.0989      0.00000
    158       4.1789      0.00000
    159       4.2550      0.00000
    160       4.2791      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2217      1.00000
      2     -22.0303      1.00000
      3     -21.6707      1.00000
      4     -21.6408      1.00000
      5     -20.9271      1.00000
      6     -20.8963      1.00000
      7     -20.5668      1.00000
      8     -20.5322      1.00000
      9     -20.5230      1.00000
     10     -19.9906      1.00000
     11     -19.4652      1.00000
     12     -19.4359      1.00000
     13     -19.2734      1.00000
     14     -19.2531      1.00000
     15     -18.4052      1.00000
     16     -18.3672      1.00000
     17     -17.8946      1.00000
     18     -17.8641      1.00000
     19     -17.7168      1.00000
     20     -17.6821      1.00000
     21     -17.4075      1.00000
     22     -17.3821      1.00000
     23     -17.3047      1.00000
     24     -16.4315      1.00000
     25     -16.4111      1.00000
     26     -15.9167      1.00000
     27     -15.3882      1.00000
     28     -15.3584      1.00000
     29     -15.0718      1.00000
     30     -15.0448      1.00000
     31     -14.8374      1.00000
     32     -14.8033      1.00000
     33     -14.2528      1.00000
     34     -14.2147      1.00000
     35     -13.4113      1.00000
     36     -13.3610      1.00000
     37     -13.1594      1.00000
     38     -13.1301      1.00000
     39     -12.9353      1.00000
     40     -12.9257      1.00000
     41     -12.6021      1.00000
     42     -12.5699      1.00000
     43     -12.1691      1.00000
     44     -11.5626      1.00000
     45     -11.5019      1.00000
     46     -11.3002      1.00000
     47     -11.2487      1.00000
     48     -11.1207      1.00000
     49     -10.6807      1.00000
     50     -10.6320      1.00000
     51     -10.4472      1.00000
     52     -10.2873      1.00000
     53     -10.2744      1.00000
     54     -10.1594      1.00000
     55     -10.0833      1.00000
     56     -10.0700      1.00000
     57      -9.7881      1.00000
     58      -9.7391      1.00000
     59      -9.6940      1.00000
     60      -9.6728      1.00000
     61      -9.6597      1.00000
     62      -9.5970      1.00000
     63      -9.3372      1.00000
     64      -9.3207      1.00000
     65      -9.2860      1.00000
     66      -9.0288      1.00000
     67      -8.9324      1.00000
     68      -8.8418      1.00000
     69      -8.7606      1.00000
     70      -8.5912      1.00000
     71      -8.4950      1.00000
     72      -8.3698      1.00000
     73      -8.3634      1.00000
     74      -8.3035      1.00000
     75      -8.2435      1.00000
     76      -8.2423      1.00000
     77      -8.2227      1.00000
     78      -8.1953      1.00000
     79      -7.8761      1.00000
     80      -7.7446      1.00000
     81      -7.3699      1.00000
     82      -7.3148      1.00000
     83      -7.2990      1.00000
     84      -7.2066      1.00000
     85      -7.1797      1.00000
     86      -6.9485      1.00000
     87      -6.9305      1.00000
     88      -6.5924      1.00000
     89      -6.5387      1.00000
     90      -6.2645      1.00000
     91      -6.2023      1.00000
     92      -5.9817      1.00000
     93      -5.8150      1.00000
     94      -5.6685      1.00000
     95      -5.5144      1.00000
     96      -5.3299      1.00000
     97      -5.3053      1.00000
     98      -5.1916      1.00000
     99      -5.1898      1.00000
    100      -5.1056      1.00000
    101      -4.6905      1.00000
    102      -4.5522      1.00000
    103      -4.4541      1.00000
    104      -3.9142      1.00000
    105      -3.7079      1.00000
    106      -3.5402      1.00000
    107      -2.9633      0.00000
    108      -1.8171      0.00000
    109      -1.7615      0.00000
    110      -1.0850      0.00000
    111      -0.9711      0.00000
    112      -0.9408      0.00000
    113      -0.6469      0.00000
    114      -0.6047      0.00000
    115      -0.5685      0.00000
    116      -0.5303      0.00000
    117       0.1763      0.00000
    118       0.2573      0.00000
    119       0.7947      0.00000
    120       1.0100      0.00000
    121       1.1171      0.00000
    122       1.1691      0.00000
    123       1.3590      0.00000
    124       1.4855      0.00000
    125       1.5930      0.00000
    126       1.5967      0.00000
    127       1.6980      0.00000
    128       1.9186      0.00000
    129       1.9590      0.00000
    130       2.0393      0.00000
    131       2.2016      0.00000
    132       2.3472      0.00000
    133       2.3918      0.00000
    134       2.4190      0.00000
    135       2.6073      0.00000
    136       2.6923      0.00000
    137       2.7533      0.00000
    138       2.7874      0.00000
    139       2.8556      0.00000
    140       3.0108      0.00000
    141       3.0596      0.00000
    142       3.0992      0.00000
    143       3.1465      0.00000
    144       3.2724      0.00000
    145       3.3339      0.00000
    146       3.4077      0.00000
    147       3.4756      0.00000
    148       3.5482      0.00000
    149       3.5909      0.00000
    150       3.6089      0.00000
    151       3.6896      0.00000
    152       3.7179      0.00000
    153       3.7831      0.00000
    154       3.7978      0.00000
    155       3.8075      0.00000
    156       3.9526      0.00000
    157       3.9693      0.00000
    158       4.0502      0.00000
    159       4.2029      0.00000
    160       4.2632      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2587      1.00000
      2     -21.8868      1.00000
      3     -21.8750      1.00000
      4     -21.3258      1.00000
      5     -21.3138      1.00000
      6     -20.7698      1.00000
      7     -20.7558      1.00000
      8     -20.5779      1.00000
      9     -20.0291      1.00000
     10     -20.0263      1.00000
     11     -19.6710      1.00000
     12     -19.6564      1.00000
     13     -18.9477      1.00000
     14     -18.9475      1.00000
     15     -18.5919      1.00000
     16     -18.5916      1.00000
     17     -18.4178      1.00000
     18     -17.6426      1.00000
     19     -17.5872      1.00000
     20     -17.5649      1.00000
     21     -17.5606      1.00000
     22     -17.0729      1.00000
     23     -17.0716      1.00000
     24     -16.9184      1.00000
     25     -15.9520      1.00000
     26     -15.9039      1.00000
     27     -15.5474      1.00000
     28     -15.5304      1.00000
     29     -15.2686      1.00000
     30     -14.8164      1.00000
     31     -14.7934      1.00000
     32     -14.5405      1.00000
     33     -14.5107      1.00000
     34     -14.1305      1.00000
     35     -14.1269      1.00000
     36     -13.1036      1.00000
     37     -13.0406      1.00000
     38     -13.0186      1.00000
     39     -12.9869      1.00000
     40     -12.6758      1.00000
     41     -12.6740      1.00000
     42     -12.2866      1.00000
     43     -12.2807      1.00000
     44     -11.6523      1.00000
     45     -11.5988      1.00000
     46     -11.5391      1.00000
     47     -10.9396      1.00000
     48     -10.8906      1.00000
     49     -10.6373      1.00000
     50     -10.5962      1.00000
     51     -10.4739      1.00000
     52     -10.4632      1.00000
     53     -10.4052      1.00000
     54     -10.4026      1.00000
     55     -10.3150      1.00000
     56     -10.0388      1.00000
     57      -9.8752      1.00000
     58      -9.5850      1.00000
     59      -9.5224      1.00000
     60      -9.5016      1.00000
     61      -9.3776      1.00000
     62      -9.3710      1.00000
     63      -9.3406      1.00000
     64      -9.2937      1.00000
     65      -9.2407      1.00000
     66      -9.1701      1.00000
     67      -9.1262      1.00000
     68      -9.0824      1.00000
     69      -8.8437      1.00000
     70      -8.8234      1.00000
     71      -8.6809      1.00000
     72      -8.5741      1.00000
     73      -8.4191      1.00000
     74      -8.1994      1.00000
     75      -8.1514      1.00000
     76      -7.9759      1.00000
     77      -7.8826      1.00000
     78      -7.8199      1.00000
     79      -7.7926      1.00000
     80      -7.7656      1.00000
     81      -7.6756      1.00000
     82      -7.6211      1.00000
     83      -7.4094      1.00000
     84      -7.3502      1.00000
     85      -6.8994      1.00000
     86      -6.8900      1.00000
     87      -6.7318      1.00000
     88      -6.6466      1.00000
     89      -6.4085      1.00000
     90      -6.3300      1.00000
     91      -6.2878      1.00000
     92      -6.1836      1.00000
     93      -5.9719      1.00000
     94      -5.5804      1.00000
     95      -5.4793      1.00000
     96      -5.4120      1.00000
     97      -5.3710      1.00000
     98      -5.1940      1.00000
     99      -5.1045      1.00000
    100      -4.7522      1.00000
    101      -4.7034      1.00000
    102      -4.5719      1.00000
    103      -4.4221      1.00000
    104      -4.2017      1.00000
    105      -3.5592      1.00000
    106      -3.3940      1.00000
    107      -3.0466      0.00000
    108      -2.1023      0.00000
    109      -1.2447      0.00000
    110      -1.2038      0.00000
    111      -1.1751      0.00000
    112      -0.9317      0.00000
    113      -0.8325      0.00000
    114      -0.7836      0.00000
    115      -0.7006      0.00000
    116       0.1972      0.00000
    117       0.2021      0.00000
    118       0.3069      0.00000
    119       0.7733      0.00000
    120       0.8231      0.00000
    121       0.9132      0.00000
    122       1.1242      0.00000
    123       1.3323      0.00000
    124       1.5105      0.00000
    125       1.5942      0.00000
    126       1.8092      0.00000
    127       1.8364      0.00000
    128       1.8835      0.00000
    129       1.9722      0.00000
    130       2.0001      0.00000
    131       2.2576      0.00000
    132       2.4016      0.00000
    133       2.4335      0.00000
    134       2.4557      0.00000
    135       2.5577      0.00000
    136       2.5944      0.00000
    137       2.6332      0.00000
    138       2.7238      0.00000
    139       2.7345      0.00000
    140       2.9688      0.00000
    141       3.0704      0.00000
    142       3.1369      0.00000
    143       3.2072      0.00000
    144       3.2498      0.00000
    145       3.2543      0.00000
    146       3.3153      0.00000
    147       3.3630      0.00000
    148       3.5286      0.00000
    149       3.5293      0.00000
    150       3.6304      0.00000
    151       3.6985      0.00000
    152       3.7657      0.00000
    153       3.8175      0.00000
    154       3.9316      0.00000
    155       3.9896      0.00000
    156       4.0084      0.00000
    157       4.0096      0.00000
    158       4.0315      0.00000
    159       4.0412      0.00000
    160       4.1474      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1267      1.00000
      2     -22.0883      1.00000
      3     -21.9171      1.00000
      4     -21.3577      1.00000
      5     -21.0031      1.00000
      6     -20.9671      1.00000
      7     -20.4515      1.00000
      8     -20.4134      1.00000
      9     -20.2604      1.00000
     10     -20.2303      1.00000
     11     -19.8994      1.00000
     12     -19.8617      1.00000
     13     -18.8266      1.00000
     14     -18.7832      1.00000
     15     -18.3111      1.00000
     16     -18.2603      1.00000
     17     -18.1207      1.00000
     18     -18.0908      1.00000
     19     -17.7848      1.00000
     20     -17.7454      1.00000
     21     -17.2252      1.00000
     22     -17.1926      1.00000
     23     -17.1322      1.00000
     24     -17.0925      1.00000
     25     -16.0567      1.00000
     26     -15.8587      1.00000
     27     -15.8207      1.00000
     28     -15.7882      1.00000
     29     -15.2088      1.00000
     30     -14.5296      1.00000
     31     -14.4835      1.00000
     32     -14.2532      1.00000
     33     -13.9293      1.00000
     34     -13.9170      1.00000
     35     -13.7916      1.00000
     36     -13.7613      1.00000
     37     -13.5819      1.00000
     38     -13.5332      1.00000
     39     -13.3220      1.00000
     40     -12.5836      1.00000
     41     -12.1751      1.00000
     42     -12.1002      1.00000
     43     -12.0343      1.00000
     44     -11.9891      1.00000
     45     -11.6559      1.00000
     46     -11.6207      1.00000
     47     -11.1374      1.00000
     48     -11.0825      1.00000
     49     -10.7801      1.00000
     50     -10.7036      1.00000
     51     -10.4036      1.00000
     52     -10.1924      1.00000
     53     -10.1670      1.00000
     54     -10.1260      1.00000
     55      -9.9933      1.00000
     56      -9.9819      1.00000
     57      -9.9400      1.00000
     58      -9.7938      1.00000
     59      -9.7704      1.00000
     60      -9.7409      1.00000
     61      -9.7202      1.00000
     62      -9.4367      1.00000
     63      -9.3348      1.00000
     64      -9.0885      1.00000
     65      -9.0443      1.00000
     66      -9.0022      1.00000
     67      -8.8911      1.00000
     68      -8.8248      1.00000
     69      -8.7081      1.00000
     70      -8.6652      1.00000
     71      -8.5664      1.00000
     72      -8.5066      1.00000
     73      -8.4715      1.00000
     74      -8.4370      1.00000
     75      -8.3319      1.00000
     76      -8.1980      1.00000
     77      -8.0663      1.00000
     78      -7.9802      1.00000
     79      -7.9092      1.00000
     80      -7.8797      1.00000
     81      -7.6951      1.00000
     82      -7.5613      1.00000
     83      -7.4927      1.00000
     84      -6.9788      1.00000
     85      -6.9090      1.00000
     86      -6.8588      1.00000
     87      -6.7411      1.00000
     88      -6.5203      1.00000
     89      -6.4678      1.00000
     90      -6.3782      1.00000
     91      -6.1931      1.00000
     92      -5.9297      1.00000
     93      -5.7955      1.00000
     94      -5.7500      1.00000
     95      -5.5568      1.00000
     96      -5.3755      1.00000
     97      -5.2431      1.00000
     98      -5.1952      1.00000
     99      -5.1819      1.00000
    100      -5.1202      1.00000
    101      -4.8092      1.00000
    102      -4.5418      1.00000
    103      -4.4605      1.00000
    104      -4.2460      1.00000
    105      -3.5602      1.00000
    106      -3.2887      1.00000
    107      -2.9365      0.00000
    108      -2.3428      0.00000
    109      -1.1822      0.00000
    110      -1.1636      0.00000
    111      -1.1140      0.00000
    112      -1.0582      0.00000
    113      -0.5028      0.00000
    114      -0.4558      0.00000
    115      -0.2968      0.00000
    116      -0.2720      0.00000
    117       0.0011      0.00000
    118       0.0360      0.00000
    119       0.5325      0.00000
    120       0.6433      0.00000
    121       0.8891      0.00000
    122       0.9859      0.00000
    123       1.1931      0.00000
    124       1.5412      0.00000
    125       1.7746      0.00000
    126       1.7943      0.00000
    127       2.0080      0.00000
    128       2.1342      0.00000
    129       2.1459      0.00000
    130       2.1539      0.00000
    131       2.2690      0.00000
    132       2.3150      0.00000
    133       2.3725      0.00000
    134       2.4664      0.00000
    135       2.6702      0.00000
    136       2.7557      0.00000
    137       2.8005      0.00000
    138       2.8807      0.00000
    139       2.9751      0.00000
    140       3.0186      0.00000
    141       3.0696      0.00000
    142       3.1267      0.00000
    143       3.1749      0.00000
    144       3.2501      0.00000
    145       3.2735      0.00000
    146       3.3054      0.00000
    147       3.3335      0.00000
    148       3.3537      0.00000
    149       3.4230      0.00000
    150       3.5477      0.00000
    151       3.6432      0.00000
    152       3.6864      0.00000
    153       3.7133      0.00000
    154       3.7199      0.00000
    155       3.7421      0.00000
    156       3.7998      0.00000
    157       3.9736      0.00000
    158       4.0728      0.00000
    159       4.1545      0.00000
    160       4.2800      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2582      1.00000
      2     -21.8999      1.00000
      3     -21.8620      1.00000
      4     -21.3376      1.00000
      5     -21.3018      1.00000
      6     -20.7817      1.00000
      7     -20.7436      1.00000
      8     -20.5774      1.00000
      9     -20.0468      1.00000
     10     -20.0111      1.00000
     11     -19.6801      1.00000
     12     -19.6450      1.00000
     13     -18.9677      1.00000
     14     -18.9300      1.00000
     15     -18.6123      1.00000
     16     -18.5745      1.00000
     17     -18.4167      1.00000
     18     -17.6320      1.00000
     19     -17.5860      1.00000
     20     -17.5656      1.00000
     21     -17.5483      1.00000
     22     -17.0977      1.00000
     23     -17.0549      1.00000
     24     -16.9382      1.00000
     25     -15.9813      1.00000
     26     -15.8691      1.00000
     27     -15.5666      1.00000
     28     -15.5276      1.00000
     29     -15.2307      1.00000
     30     -14.8490      1.00000
     31     -14.7910      1.00000
     32     -14.5375      1.00000
     33     -14.4994      1.00000
     34     -14.1284      1.00000
     35     -14.1160      1.00000
     36     -13.1558      1.00000
     37     -13.0489      1.00000
     38     -12.9957      1.00000
     39     -12.9755      1.00000
     40     -12.6990      1.00000
     41     -12.6537      1.00000
     42     -12.2970      1.00000
     43     -12.2784      1.00000
     44     -11.6194      1.00000
     45     -11.5859      1.00000
     46     -11.5253      1.00000
     47     -10.9218      1.00000
     48     -10.8965      1.00000
     49     -10.7119      1.00000
     50     -10.5657      1.00000
     51     -10.5342      1.00000
     52     -10.4661      1.00000
     53     -10.4252      1.00000
     54     -10.3661      1.00000
     55     -10.3143      1.00000
     56     -10.0337      1.00000
     57      -9.8694      1.00000
     58      -9.6010      1.00000
     59      -9.5215      1.00000
     60      -9.4534      1.00000
     61      -9.4041      1.00000
     62      -9.3714      1.00000
     63      -9.3405      1.00000
     64      -9.2972      1.00000
     65      -9.2454      1.00000
     66      -9.1345      1.00000
     67      -9.0877      1.00000
     68      -9.0711      1.00000
     69      -8.8504      1.00000
     70      -8.8330      1.00000
     71      -8.7025      1.00000
     72      -8.5593      1.00000
     73      -8.4371      1.00000
     74      -8.1979      1.00000
     75      -8.1702      1.00000
     76      -8.0398      1.00000
     77      -7.8669      1.00000
     78      -7.8028      1.00000
     79      -7.7704      1.00000
     80      -7.7176      1.00000
     81      -7.6792      1.00000
     82      -7.6409      1.00000
     83      -7.4465      1.00000
     84      -7.3073      1.00000
     85      -6.9181      1.00000
     86      -6.8882      1.00000
     87      -6.7767      1.00000
     88      -6.5573      1.00000
     89      -6.3882      1.00000
     90      -6.3226      1.00000
     91      -6.2776      1.00000
     92      -6.1697      1.00000
     93      -6.0675      1.00000
     94      -5.7834      1.00000
     95      -5.5314      1.00000
     96      -5.3556      1.00000
     97      -5.2029      1.00000
     98      -5.1760      1.00000
     99      -5.0303      1.00000
    100      -4.8134      1.00000
    101      -4.6692      1.00000
    102      -4.4952      1.00000
    103      -4.4338      1.00000
    104      -4.2372      1.00000
    105      -3.6319      1.00000
    106      -3.5511      1.00000
    107      -2.8422      0.00000
    108      -2.1345      0.00000
    109      -1.2450      0.00000
    110      -1.1887      0.00000
    111      -1.1771      0.00000
    112      -0.8850      0.00000
    113      -0.8666      0.00000
    114      -0.7857      0.00000
    115      -0.7525      0.00000
    116       0.1436      0.00000
    117       0.2450      0.00000
    118       0.3170      0.00000
    119       0.7256      0.00000
    120       0.8590      0.00000
    121       0.9372      0.00000
    122       1.1699      0.00000
    123       1.2667      0.00000
    124       1.5232      0.00000
    125       1.5924      0.00000
    126       1.7992      0.00000
    127       1.8863      0.00000
    128       1.8987      0.00000
    129       1.9771      0.00000
    130       2.0578      0.00000
    131       2.2298      0.00000
    132       2.3502      0.00000
    133       2.4399      0.00000
    134       2.4577      0.00000
    135       2.5785      0.00000
    136       2.6081      0.00000
    137       2.6645      0.00000
    138       2.7238      0.00000
    139       2.7676      0.00000
    140       2.9079      0.00000
    141       3.0571      0.00000
    142       3.1534      0.00000
    143       3.2115      0.00000
    144       3.2391      0.00000
    145       3.2522      0.00000
    146       3.2905      0.00000
    147       3.3593      0.00000
    148       3.4494      0.00000
    149       3.5639      0.00000
    150       3.6147      0.00000
    151       3.6965      0.00000
    152       3.7369      0.00000
    153       3.8670      0.00000
    154       3.9074      0.00000
    155       3.9465      0.00000
    156       3.9701      0.00000
    157       4.0289      0.00000
    158       4.0325      0.00000
    159       4.0447      0.00000
    160       4.0888      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3332      1.00000
      2     -21.7727      1.00000
      3     -21.5920      1.00000
      4     -21.5675      1.00000
      5     -21.2228      1.00000
      6     -21.1936      1.00000
      7     -21.0178      1.00000
      8     -20.1183      1.00000
      9     -20.0866      1.00000
     10     -19.5759      1.00000
     11     -19.5422      1.00000
     12     -19.3717      1.00000
     13     -19.0599      1.00000
     14     -19.0198      1.00000
     15     -19.0029      1.00000
     16     -18.9852      1.00000
     17     -18.3326      1.00000
     18     -18.3021      1.00000
     19     -17.9724      1.00000
     20     -17.0224      1.00000
     21     -16.9809      1.00000
     22     -16.9249      1.00000
     23     -16.8994      1.00000
     24     -16.4548      1.00000
     25     -16.4198      1.00000
     26     -15.5756      1.00000
     27     -15.5469      1.00000
     28     -15.2027      1.00000
     29     -15.1807      1.00000
     30     -15.1619      1.00000
     31     -15.0825      1.00000
     32     -15.0290      1.00000
     33     -14.6700      1.00000
     34     -14.6430      1.00000
     35     -13.7035      1.00000
     36     -13.6709      1.00000
     37     -13.2064      1.00000
     38     -12.6389      1.00000
     39     -12.5385      1.00000
     40     -12.4254      1.00000
     41     -12.4032      1.00000
     42     -12.0732      1.00000
     43     -12.0515      1.00000
     44     -11.6775      1.00000
     45     -11.6451      1.00000
     46     -11.2871      1.00000
     47     -11.1854      1.00000
     48     -10.9948      1.00000
     49     -10.9636      1.00000
     50     -10.8882      1.00000
     51     -10.8556      1.00000
     52     -10.5617      1.00000
     53     -10.2058      1.00000
     54     -10.1162      1.00000
     55     -10.0587      1.00000
     56      -9.8895      1.00000
     57      -9.6618      1.00000
     58      -9.6615      1.00000
     59      -9.6257      1.00000
     60      -9.6006      1.00000
     61      -9.5326      1.00000
     62      -9.4733      1.00000
     63      -9.3119      1.00000
     64      -9.2640      1.00000
     65      -9.2216      1.00000
     66      -9.1928      1.00000
     67      -9.0946      1.00000
     68      -9.0904      1.00000
     69      -9.0679      1.00000
     70      -8.9020      1.00000
     71      -8.8388      1.00000
     72      -8.5728      1.00000
     73      -8.5595      1.00000
     74      -8.1713      1.00000
     75      -8.0109      1.00000
     76      -7.9493      1.00000
     77      -7.8828      1.00000
     78      -7.7764      1.00000
     79      -7.7271      1.00000
     80      -7.7128      1.00000
     81      -7.4014      1.00000
     82      -7.2821      1.00000
     83      -7.2443      1.00000
     84      -7.2183      1.00000
     85      -7.1529      1.00000
     86      -6.9679      1.00000
     87      -6.8568      1.00000
     88      -6.6934      1.00000
     89      -6.6622      1.00000
     90      -6.5845      1.00000
     91      -6.1593      1.00000
     92      -6.0869      1.00000
     93      -6.0724      1.00000
     94      -5.9090      1.00000
     95      -5.8818      1.00000
     96      -5.3770      1.00000
     97      -5.1886      1.00000
     98      -4.8725      1.00000
     99      -4.8576      1.00000
    100      -4.6453      1.00000
    101      -4.5253      1.00000
    102      -4.3915      1.00000
    103      -4.2669      1.00000
    104      -4.0641      1.00000
    105      -4.0392      1.00000
    106      -3.5699      1.00000
    107      -2.8635      0.00000
    108      -1.7030      0.00000
    109      -1.6979      0.00000
    110      -1.3064      0.00000
    111      -1.2610      0.00000
    112      -1.2297      0.00000
    113      -1.2283      0.00000
    114      -0.5664      0.00000
    115      -0.2541      0.00000
    116      -0.1137      0.00000
    117       0.5863      0.00000
    118       0.6780      0.00000
    119       0.8094      0.00000
    120       0.9587      0.00000
    121       1.1402      0.00000
    122       1.2056      0.00000
    123       1.2859      0.00000
    124       1.4637      0.00000
    125       1.6250      0.00000
    126       1.6929      0.00000
    127       1.7826      0.00000
    128       1.7896      0.00000
    129       1.9132      0.00000
    130       1.9417      0.00000
    131       2.1877      0.00000
    132       2.2002      0.00000
    133       2.2447      0.00000
    134       2.4764      0.00000
    135       2.5172      0.00000
    136       2.6134      0.00000
    137       2.6442      0.00000
    138       2.7106      0.00000
    139       2.8361      0.00000
    140       2.8471      0.00000
    141       2.8610      0.00000
    142       2.9683      0.00000
    143       2.9880      0.00000
    144       3.0345      0.00000
    145       3.1582      0.00000
    146       3.3652      0.00000
    147       3.3908      0.00000
    148       3.4345      0.00000
    149       3.5962      0.00000
    150       3.6324      0.00000
    151       3.6402      0.00000
    152       3.6888      0.00000
    153       3.8043      0.00000
    154       3.8226      0.00000
    155       4.0231      0.00000
    156       4.0393      0.00000
    157       4.0675      0.00000
    158       4.1473      0.00000
    159       4.2514      0.00000
    160       4.3650      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1163      1.00000
      2     -22.1007      1.00000
      3     -21.9152      1.00000
      4     -21.3580      1.00000
      5     -20.9910      1.00000
      6     -20.9793      1.00000
      7     -20.4396      1.00000
      8     -20.4258      1.00000
      9     -20.2461      1.00000
     10     -20.2443      1.00000
     11     -19.8872      1.00000
     12     -19.8739      1.00000
     13     -18.8213      1.00000
     14     -18.7953      1.00000
     15     -18.2824      1.00000
     16     -18.2765      1.00000
     17     -18.1117      1.00000
     18     -18.1052      1.00000
     19     -17.7644      1.00000
     20     -17.7601      1.00000
     21     -17.2293      1.00000
     22     -17.2014      1.00000
     23     -17.1132      1.00000
     24     -17.0989      1.00000
     25     -16.0911      1.00000
     26     -15.8313      1.00000
     27     -15.8214      1.00000
     28     -15.8050      1.00000
     29     -15.1816      1.00000
     30     -14.5113      1.00000
     31     -14.4978      1.00000
     32     -14.2269      1.00000
     33     -13.9625      1.00000
     34     -13.9250      1.00000
     35     -13.7889      1.00000
     36     -13.7770      1.00000
     37     -13.5583      1.00000
     38     -13.5391      1.00000
     39     -13.3288      1.00000
     40     -12.6098      1.00000
     41     -12.1290      1.00000
     42     -12.1181      1.00000
     43     -12.0059      1.00000
     44     -11.9897      1.00000
     45     -11.6507      1.00000
     46     -11.6358      1.00000
     47     -11.1390      1.00000
     48     -11.1020      1.00000
     49     -10.7592      1.00000
     50     -10.7023      1.00000
     51     -10.4413      1.00000
     52     -10.1719      1.00000
     53     -10.1643      1.00000
     54     -10.1482      1.00000
     55     -10.0017      1.00000
     56      -9.9627      1.00000
     57      -9.9362      1.00000
     58      -9.8129      1.00000
     59      -9.7638      1.00000
     60      -9.7431      1.00000
     61      -9.7283      1.00000
     62      -9.4322      1.00000
     63      -9.3316      1.00000
     64      -9.0769      1.00000
     65      -9.0395      1.00000
     66      -8.9678      1.00000
     67      -8.9403      1.00000
     68      -8.8000      1.00000
     69      -8.6819      1.00000
     70      -8.6658      1.00000
     71      -8.5471      1.00000
     72      -8.5146      1.00000
     73      -8.4430      1.00000
     74      -8.4366      1.00000
     75      -8.2990      1.00000
     76      -8.2308      1.00000
     77      -8.1116      1.00000
     78      -8.0478      1.00000
     79      -8.0232      1.00000
     80      -7.7891      1.00000
     81      -7.6008      1.00000
     82      -7.5924      1.00000
     83      -7.4601      1.00000
     84      -7.0022      1.00000
     85      -6.9476      1.00000
     86      -6.8618      1.00000
     87      -6.5745      1.00000
     88      -6.5404      1.00000
     89      -6.4606      1.00000
     90      -6.4065      1.00000
     91      -6.3305      1.00000
     92      -5.9848      1.00000
     93      -5.7680      1.00000
     94      -5.7268      1.00000
     95      -5.5593      1.00000
     96      -5.3787      1.00000
     97      -5.2030      1.00000
     98      -5.1978      1.00000
     99      -5.1767      1.00000
    100      -5.1559      1.00000
    101      -4.6487      1.00000
    102      -4.5038      1.00000
    103      -4.4449      1.00000
    104      -4.3861      1.00000
    105      -3.5761      1.00000
    106      -3.4313      1.00000
    107      -2.7312      0.00000
    108      -2.4069      0.00000
    109      -1.1647      0.00000
    110      -1.1564      0.00000
    111      -1.1462      0.00000
    112      -1.0510      0.00000
    113      -0.4881      0.00000
    114      -0.4781      0.00000
    115      -0.3230      0.00000
    116      -0.2464      0.00000
    117       0.0058      0.00000
    118       0.0088      0.00000
    119       0.5231      0.00000
    120       0.6651      0.00000
    121       0.8265      0.00000
    122       1.0101      0.00000
    123       1.2493      0.00000
    124       1.5138      0.00000
    125       1.7716      0.00000
    126       1.9619      0.00000
    127       1.9705      0.00000
    128       2.0333      0.00000
    129       2.1385      0.00000
    130       2.1808      0.00000
    131       2.2902      0.00000
    132       2.2963      0.00000
    133       2.3745      0.00000
    134       2.5642      0.00000
    135       2.6392      0.00000
    136       2.6919      0.00000
    137       2.8561      0.00000
    138       2.8958      0.00000
    139       2.9692      0.00000
    140       3.0179      0.00000
    141       3.1393      0.00000
    142       3.1502      0.00000
    143       3.1562      0.00000
    144       3.1892      0.00000
    145       3.2503      0.00000
    146       3.2575      0.00000
    147       3.3430      0.00000
    148       3.3564      0.00000
    149       3.4351      0.00000
    150       3.4555      0.00000
    151       3.5260      0.00000
    152       3.6578      0.00000
    153       3.7010      0.00000
    154       3.7228      0.00000
    155       3.8490      0.00000
    156       3.9195      0.00000
    157       3.9770      0.00000
    158       4.0095      0.00000
    159       4.1318      0.00000
    160       4.2246      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2206      1.00000
      2     -22.0327      1.00000
      3     -21.6678      1.00000
      4     -21.6423      1.00000
      5     -20.9270      1.00000
      6     -20.8968      1.00000
      7     -20.5573      1.00000
      8     -20.5374      1.00000
      9     -20.5267      1.00000
     10     -19.9902      1.00000
     11     -19.4658      1.00000
     12     -19.4337      1.00000
     13     -19.2803      1.00000
     14     -19.2534      1.00000
     15     -18.3984      1.00000
     16     -18.3667      1.00000
     17     -17.8967      1.00000
     18     -17.8649      1.00000
     19     -17.7137      1.00000
     20     -17.6796      1.00000
     21     -17.4119      1.00000
     22     -17.3815      1.00000
     23     -17.2928      1.00000
     24     -16.4541      1.00000
     25     -16.4148      1.00000
     26     -15.9355      1.00000
     27     -15.3789      1.00000
     28     -15.3507      1.00000
     29     -15.0674      1.00000
     30     -15.0375      1.00000
     31     -14.8084      1.00000
     32     -14.7874      1.00000
     33     -14.2851      1.00000
     34     -14.2140      1.00000
     35     -13.4422      1.00000
     36     -13.3598      1.00000
     37     -13.1521      1.00000
     38     -13.1201      1.00000
     39     -12.9599      1.00000
     40     -12.9298      1.00000
     41     -12.5859      1.00000
     42     -12.5584      1.00000
     43     -12.1725      1.00000
     44     -11.5349      1.00000
     45     -11.4986      1.00000
     46     -11.2736      1.00000
     47     -11.2445      1.00000
     48     -11.1296      1.00000
     49     -10.7660      1.00000
     50     -10.6264      1.00000
     51     -10.4490      1.00000
     52     -10.2804      1.00000
     53     -10.2738      1.00000
     54     -10.1652      1.00000
     55     -10.0893      1.00000
     56     -10.0561      1.00000
     57      -9.8042      1.00000
     58      -9.7034      1.00000
     59      -9.6894      1.00000
     60      -9.6822      1.00000
     61      -9.6695      1.00000
     62      -9.6034      1.00000
     63      -9.3431      1.00000
     64      -9.3158      1.00000
     65      -9.2873      1.00000
     66      -8.9677      1.00000
     67      -8.9279      1.00000
     68      -8.8783      1.00000
     69      -8.7466      1.00000
     70      -8.5604      1.00000
     71      -8.4825      1.00000
     72      -8.3989      1.00000
     73      -8.3591      1.00000
     74      -8.2852      1.00000
     75      -8.2394      1.00000
     76      -8.2240      1.00000
     77      -8.2093      1.00000
     78      -8.1932      1.00000
     79      -7.9973      1.00000
     80      -7.7782      1.00000
     81      -7.4132      1.00000
     82      -7.3176      1.00000
     83      -7.2386      1.00000
     84      -7.1391      1.00000
     85      -7.0953      1.00000
     86      -6.9556      1.00000
     87      -6.9087      1.00000
     88      -6.5846      1.00000
     89      -6.5573      1.00000
     90      -6.4354      1.00000
     91      -6.2474      1.00000
     92      -5.9022      1.00000
     93      -5.8227      1.00000
     94      -5.6739      1.00000
     95      -5.5837      1.00000
     96      -5.2932      1.00000
     97      -5.2596      1.00000
     98      -5.1828      1.00000
     99      -5.1818      1.00000
    100      -5.1595      1.00000
    101      -4.5245      1.00000
    102      -4.4579      1.00000
    103      -4.3991      1.00000
    104      -4.0758      1.00000
    105      -3.9278      1.00000
    106      -3.5227      1.00000
    107      -2.8130      0.00000
    108      -1.8039      0.00000
    109      -1.7917      0.00000
    110      -1.0772      0.00000
    111      -1.0097      0.00000
    112      -0.9258      0.00000
    113      -0.6543      0.00000
    114      -0.6050      0.00000
    115      -0.5698      0.00000
    116      -0.5271      0.00000
    117       0.1603      0.00000
    118       0.2632      0.00000
    119       0.7163      0.00000
    120       0.9774      0.00000
    121       1.0977      0.00000
    122       1.2571      0.00000
    123       1.4326      0.00000
    124       1.5376      0.00000
    125       1.6067      0.00000
    126       1.6416      0.00000
    127       1.6502      0.00000
    128       1.8519      0.00000
    129       1.9428      0.00000
    130       2.1264      0.00000
    131       2.2274      0.00000
    132       2.3545      0.00000
    133       2.3750      0.00000
    134       2.4732      0.00000
    135       2.6087      0.00000
    136       2.6677      0.00000
    137       2.7549      0.00000
    138       2.7581      0.00000
    139       2.8693      0.00000
    140       2.9762      0.00000
    141       3.0695      0.00000
    142       3.0797      0.00000
    143       3.1988      0.00000
    144       3.2974      0.00000
    145       3.3414      0.00000
    146       3.3589      0.00000
    147       3.4985      0.00000
    148       3.5377      0.00000
    149       3.5687      0.00000
    150       3.6042      0.00000
    151       3.6265      0.00000
    152       3.7018      0.00000
    153       3.7463      0.00000
    154       3.7968      0.00000
    155       3.7992      0.00000
    156       3.8660      0.00000
    157       3.9398      0.00000
    158       4.0334      0.00000
    159       4.0532      0.00000
    160       4.3008      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0453   -6.8547    2.8554   -0.4768   -0.0185   17.1439    0.1010   -0.0756    0.1200   -0.2118
x    -3.1500   -0.0335   -0.0584    0.0252    0.0340   -3.0237    0.0195   -0.0017   -0.0001    0.0000
x    -0.0932   -0.0011    0.0020   -0.0017    0.0007   -0.0239    0.0000    0.0001   -0.0002    0.0000
x    -0.0034    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0453    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0011    0.0005    0.0035   -0.0984   -0.0409    0.0714    0.0095
y     0.0429   -3.2487   -0.0986    0.2054   -2.4349   -0.6646
z   204.0453    1.9797    0.0125   -0.0677    0.0176    0.0775   -0.0028   -0.0004    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0610    0.0084    0.0021    0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003   -0.0001
z    -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -15.7935
z    -0.5100    0.0379    0.0742    0.1475   -0.0977   -0.0018
 total charge-density along one line
x   212.0000   -9.6824    4.7901   -1.2798   -0.2539   19.0834   -1.1218    1.0506   -0.6829    0.2218
x    -2.7483   -0.0177   -0.0410    0.0178    0.0346   -2.3070    0.0189    0.0020   -0.0031   -0.0008
x    -0.0821    0.0012   -0.0020    0.0004    0.0010   -0.0370    0.0003    0.0005   -0.0003   -0.0003
x    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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   -9.6824    4.7901   -1.2798   -0.2539   19.0834   -1.1218    1.0506   -0.6829    0.2218
y    -2.7483   -0.0177   -0.0410    0.0178    0.0346   -2.3070    0.0189    0.0020   -0.0031   -0.0008
y    -0.0821    0.0012   -0.0020    0.0004    0.0010   -0.0370    0.0003    0.0005   -0.0003   -0.0003
y    -0.0053    0.0000   -0.0001    0.0000    0.0000    0.0013    0.0001   -0.0001    0.0000    0.0000
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    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 -205.6784  189.4286 -169.4306  151.1676 -136.4869  123.7605 -110.2852   94.6858  -77.7242
z    61.4551  -47.7581   37.3549  -29.7674   23.9525  -19.0209   14.5944  -10.7284    7.6109   -5.3100
z     3.7057   -2.5771    1.7267   -1.0470    0.5093   -0.1152   -0.1427    0.2896   -0.3577    0.3750
z    -0.3625    0.3363   -0.3094    0.2879   -0.2702    0.2490   -0.2181    0.1784   -0.1367    0.1019
z    -0.0789    0.0663   -0.0588    0.0513   -0.0419    0.0319   -0.0236    0.0183   -0.0155    0.0139
z    -0.0124    0.0106   -0.0087    0.0068   -0.0052    0.0038   -0.0028    0.0021   -0.0015    0.0011
z    -0.0006    0.0003   -0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0002   -0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-11.203   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.302   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.422   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.300   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.151  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.246   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-11.203   0.000   0.103   0.000   0.045   0.234   0.000  -0.012
  0.000 -11.302   0.000  -0.002   0.000   0.000   0.247   0.000
  0.103   0.000 -11.422   0.000  -0.059  -0.012   0.000   0.260
  0.000  -0.002   0.000 -11.300   0.000   0.000   0.002   0.000
  0.045   0.000  -0.059   0.000 -11.151  -0.005   0.000   0.007
  0.234   0.000  -0.012   0.000  -0.005   0.171   0.000   0.002
  0.000   0.247   0.000   0.002   0.000   0.000   0.169   0.000
 -0.012   0.000   0.260   0.000   0.007   0.002   0.000   0.168
  0.000   0.002   0.000   0.246   0.000   0.000   0.000   0.000
 -0.005   0.000   0.007   0.000   0.228   0.001   0.000  -0.001
  0.031   0.000   0.060   0.000  -0.018  -0.004   0.000  -0.003
 -0.002   0.000  -0.004   0.000   0.001   0.000   0.000   0.000
  0.000   0.012   0.000  -0.001   0.000   0.000  -0.001   0.000
 -0.001   0.000   0.012   0.000   0.001   0.000   0.000  -0.001
  0.000  -0.001   0.000   0.014   0.000   0.000   0.000   0.000
  0.000  -0.011   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.001
  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.702   0.000   0.288   0.000   0.163   0.279   0.000  -0.306   0.000  -0.196   0.084  -0.072   0.000   0.081   0.000   0.000
  0.000   1.905   0.000   0.087   0.000   0.000   0.047   0.000  -0.063   0.000   0.000   0.000  -0.015   0.000   0.012   0.020
  0.288   0.000   1.587   0.000  -0.177  -0.268   0.000   0.299   0.000   0.158  -0.280   0.135   0.000  -0.096   0.000   0.000
  0.000   0.087   0.000   1.812   0.000   0.000  -0.063   0.000   0.114   0.000   0.000   0.000   0.010   0.000  -0.028  -0.003
  0.163   0.000  -0.177   0.000   1.867  -0.197   0.000   0.182   0.000   0.063  -0.068   0.037   0.000  -0.052   0.000   0.000
  0.279   0.000  -0.268   0.000  -0.197   0.220   0.000  -0.122   0.000  -0.109   0.321  -0.103   0.000   0.024   0.000   0.000
  0.000   0.047   0.000  -0.063   0.000   0.000   0.111   0.000  -0.050   0.000   0.000   0.000   0.025   0.000   0.059   0.001
 -0.306   0.000   0.299   0.000   0.182  -0.122   0.000   0.430   0.000   0.069   0.149  -0.139   0.000  -0.179   0.000   0.000
  0.000  -0.063   0.000   0.114   0.000   0.000  -0.050   0.000   0.171   0.000   0.000   0.000   0.060   0.000  -0.043  -0.002
 -0.196   0.000   0.158   0.000   0.063  -0.109   0.000   0.069   0.000   0.090  -0.178   0.061   0.000  -0.012   0.000   0.000
  0.084   0.000  -0.280   0.000  -0.068   0.321   0.000   0.149   0.000  -0.178   1.141  -0.354   0.000  -0.141   0.000   0.000
 -0.072   0.000   0.135   0.000   0.037  -0.103   0.000  -0.139   0.000   0.061  -0.354   0.215   0.000   0.098   0.000   0.000
  0.000  -0.015   0.000   0.010   0.000   0.000   0.025   0.000   0.060   0.000   0.000   0.000   0.334   0.000   0.174  -0.009
  0.081   0.000  -0.096   0.000  -0.052   0.024   0.000  -0.179   0.000  -0.012  -0.141   0.098   0.000   0.090   0.000   0.000
  0.000   0.012   0.000  -0.028   0.000   0.000   0.059   0.000  -0.043   0.000   0.000   0.000   0.174   0.000   0.132  -0.004
  0.000   0.020   0.000  -0.003   0.000   0.000   0.001   0.000  -0.002   0.000   0.000   0.000  -0.009   0.000  -0.004   0.000
 -0.001   0.000   0.024   0.000   0.000  -0.003   0.000   0.017   0.000   0.002   0.010  -0.008   0.000  -0.008   0.000   0.000
  0.000  -0.003   0.000   0.023   0.000   0.000  -0.002   0.000   0.004   0.000   0.000   0.000  -0.004   0.000  -0.004   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        0.539   0.392   7.855   8.785
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.643
  5        0.863   1.782   0.000   2.645
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.785   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.775   0.000   2.640
 17        0.849   1.732   0.000   2.580
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.767   0.000   2.632
 23        0.864   1.775   0.000   2.638
 24        0.863   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.638
 36        0.865   1.767   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.785   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.580
 42        0.865   1.775   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.643
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.863   1.782   0.000   2.645
------------------------------------------------
tot       44.792  89.404   7.855 142.051
 


 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  114.05: CPU time   57.60
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  442.81: CPU time  222.05
    STRESS:  VPU time 1358.53: CPU time  683.37
    FORCOR:  VPU time    8.67: CPU time    8.67
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force = 0.2872986E-04[ 0.108E-04, 0.467E-04]  d Energy = 0.2824483E-04 0.485E-06
 d Force =-0.1654168E+00[-0.165E+00,-0.165E+00]  d Ewald  =-0.1138644E+01 0.973E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -469.648797 eV

  energy  without entropy=     -469.648797  energy(sigma->0) =     -469.648797
 

  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    40933.46  40978.89 -47638.45     39.34      0.00      0.00
  Hartree  40392.30  40417.03 -39640.28     21.42      0.00      0.00
  E(xc)     -779.24   -778.90   -806.97      0.30      0.00      0.00
  Local   -83616.66 -83684.28  84591.47    -58.56      0.00      0.00
  n-local   -214.71   -206.80   -206.57      5.97      0.00      0.00
  augment     21.82     19.29     20.58     -2.19      0.00      0.00
  Kinetic   3165.48   3163.51   3585.95     -8.15      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.45     -0.50     -0.32     -0.04      0.00      0.00
  in kB       -0.27     -0.30     -0.20     -0.03      0.00      0.00
  external pressure =       -0.26 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.341974351 -0.001065279  0.000000000     0.081028352  0.046791135  0.000000000
    -6.171916374 10.687926513  0.000000000     0.000008076  0.093568181  0.000000000
     0.000000000  0.000000000 19.999931856     0.000000000  0.000000000  0.050000170

  length of vectors
    12.341974397 12.341974108 19.999931856     0.093568179  0.093568182  0.050000170


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.829E-05 -.313E-04 -.110E+04   0.447E-05 -.262E-04 0.110E+04   -.423E-20 -.169E-20 0.368E+01   -.428E-07 0.321E-07 0.684E-02
   -.268E+02 -.464E+02 -.108E+03   0.279E+02 0.483E+02 0.108E+03   -.111E+01 -.192E+01 -.192E+00   0.752E-03 0.130E-02 0.111E-02
   0.268E+02 0.464E+02 -.108E+03   -.279E+02 -.483E+02 0.108E+03   0.111E+01 0.192E+01 -.192E+00   -.752E-03 -.130E-02 0.111E-02
   -.204E+01 0.118E+01 0.308E+02   0.199E+01 -.115E+01 -.308E+02   0.517E-01 -.299E-01 0.500E-02   -.275E-02 0.159E-02 0.587E-03
   0.657E+01 0.654E+01 0.344E+02   -.653E+01 -.653E+01 -.344E+02   -.335E-01 -.122E-01 -.431E-01   0.194E-04 0.299E-04 0.334E-03
   0.117E+02 0.585E+01 0.252E+02   -.117E+02 -.587E+01 -.251E+02   -.528E-01 0.193E-01 -.121E+00   -.146E-02 0.154E-02 0.129E-02
   0.432E+01 -.113E+01 0.209E+02   -.431E+01 0.113E+01 -.209E+02   0.197E-02 -.603E-02 0.126E-01   -.152E-02 0.446E-04 0.221E-02
   -.280E+01 -.262E+01 0.222E+02   0.281E+01 0.260E+01 -.222E+02   -.477E-02 0.171E-01 0.229E-01   -.124E-02 -.534E-04 0.235E-02
   0.863E+00 0.374E+01 0.222E+02   -.847E+00 -.373E+01 -.222E+02   -.172E-01 -.443E-02 0.229E-01   -.577E-03 0.109E-02 0.235E-02
   0.292E+01 0.186E+02 0.371E+02   -.295E+01 -.186E+02 -.370E+02   0.319E-01 -.211E-01 -.157E-01   -.187E-02 0.363E-02 -.933E-03
   0.204E+02 0.223E+02 0.459E+02   -.204E+02 -.224E+02 -.456E+02   0.240E-02 0.117E+00 -.324E+00   -.426E-02 -.148E-02 -.609E-02
   0.273E+02 -.584E+01 0.229E+02   -.274E+02 0.590E+01 -.229E+02   0.955E-01 -.616E-01 0.144E-01   -.137E-02 0.209E-02 -.285E-02
   0.972E+01 -.561E+01 0.159E+02   -.966E+01 0.558E+01 -.159E+02   -.551E-01 0.318E-01 0.412E-01   0.316E-02 -.183E-02 0.351E-02
   0.313E+01 -.317E+01 0.209E+02   -.314E+01 0.317E+01 -.209E+02   0.621E-02 0.131E-02 0.126E-01   -.799E-03 0.129E-02 0.220E-02
   -.686E+01 0.128E+02 0.241E+02   0.684E+01 -.128E+02 -.241E+02   0.216E-01 0.976E-03 0.214E-01   -.158E-03 -.112E-02 0.407E-03
   -.134E+02 0.311E+02 0.314E+02   0.133E+02 -.316E+02 -.317E+02   0.106E+00 0.444E+00 0.258E+00   -.713E-03 0.245E-02 -.676E-02
   0.342E+02 -.197E+02 0.945E+01   -.353E+02 0.204E+02 -.118E+02   0.115E+01 -.662E+00 0.234E+01   0.301E-04 -.203E-04 -.106E-01
   0.187E+02 -.208E+02 0.229E+02   -.188E+02 0.208E+02 -.229E+02   0.101E+00 -.519E-01 0.144E-01   -.250E-02 0.130E-03 -.286E-02
   0.791E+00 -.131E+02 0.252E+02   -.746E+00 0.130E+02 -.251E+02   -.431E-01 0.361E-01 -.121E+00   -.206E-02 0.494E-03 0.128E-02
   -.400E+01 0.100E+01 0.176E+02   0.401E+01 -.102E+01 -.175E+02   -.386E-02 0.175E-01 -.786E-01   -.265E-02 -.869E-03 0.299E-02
   -.181E+02 0.104E+02 0.132E+02   0.181E+02 -.104E+02 -.129E+02   0.456E-02 -.263E-02 -.243E+00   0.181E-02 -.104E-02 -.165E-03
   -.337E+02 -.392E+01 0.314E+02   0.340E+02 0.423E+01 -.317E+02   -.332E+00 -.314E+00 0.258E+00   -.247E-02 -.607E-03 -.676E-02
   -.912E+01 -.288E+02 0.459E+02   0.922E+01 0.289E+02 -.456E+02   -.100E+00 -.606E-01 -.324E+00   -.848E-03 0.442E-02 -.609E-02
   -.238E+01 -.896E+01 0.344E+02   0.239E+01 0.892E+01 -.344E+02   -.621E-02 0.351E-01 -.431E-01   -.146E-04 -.337E-04 0.333E-03
   0.118E+01 -.680E+00 0.238E+02   -.116E+01 0.670E+00 -.237E+02   -.171E-01 0.985E-02 -.682E-01   -.160E-02 0.929E-03 0.192E-02
   -.287E+01 0.297E+01 0.176E+02   0.289E+01 -.296E+01 -.175E+02   -.171E-01 -.541E-02 -.786E-01   -.568E-03 0.273E-02 0.300E-02
   -.145E+02 -.449E+00 0.241E+02   0.145E+02 0.468E+00 -.241E+02   0.995E-02 -.192E-01 0.214E-01   0.896E-03 0.698E-03 0.419E-03
   -.147E+02 -.118E+02 0.371E+02   0.146E+02 0.119E+02 -.370E+02   0.342E-01 -.171E-01 -.157E-01   -.408E-02 -.205E-03 -.928E-03
   0.238E+01 0.896E+01 0.344E+02   -.239E+01 -.892E+01 -.344E+02   0.621E-02 -.351E-01 -.431E-01   0.145E-04 0.337E-04 0.333E-03
   0.147E+02 0.118E+02 0.371E+02   -.146E+02 -.119E+02 -.370E+02   -.342E-01 0.171E-01 -.157E-01   0.408E-02 0.205E-03 -.928E-03
   0.145E+02 0.448E+00 0.241E+02   -.145E+02 -.468E+00 -.241E+02   -.995E-02 0.192E-01 0.214E-01   -.896E-03 -.698E-03 0.419E-03
   0.287E+01 -.297E+01 0.176E+02   -.289E+01 0.296E+01 -.175E+02   0.171E-01 0.541E-02 -.786E-01   0.568E-03 -.273E-02 0.300E-02
   -.118E+01 0.680E+00 0.238E+02   0.116E+01 -.670E+00 -.237E+02   0.171E-01 -.985E-02 -.682E-01   0.160E-02 -.929E-03 0.192E-02
   -.791E+00 0.131E+02 0.252E+02   0.746E+00 -.130E+02 -.251E+02   0.431E-01 -.361E-01 -.121E+00   0.206E-02 -.494E-03 0.128E-02
   0.912E+01 0.288E+02 0.459E+02   -.922E+01 -.289E+02 -.456E+02   0.100E+00 0.606E-01 -.324E+00   0.848E-03 -.442E-02 -.609E-02
   0.337E+02 0.392E+01 0.314E+02   -.340E+02 -.423E+01 -.317E+02   0.332E+00 0.314E+00 0.258E+00   0.247E-02 0.607E-03 -.676E-02
   0.181E+02 -.104E+02 0.132E+02   -.181E+02 0.104E+02 -.129E+02   -.456E-02 0.263E-02 -.243E+00   -.181E-02 0.104E-02 -.165E-03
   0.400E+01 -.100E+01 0.176E+02   -.401E+01 0.102E+01 -.175E+02   0.386E-02 -.175E-01 -.786E-01   0.265E-02 0.869E-03 0.299E-02
   -.313E+01 0.317E+01 0.209E+02   0.314E+01 -.317E+01 -.209E+02   -.621E-02 -.131E-02 0.126E-01   0.799E-03 -.129E-02 0.220E-02
   -.187E+02 0.208E+02 0.229E+02   0.188E+02 -.208E+02 -.229E+02   -.101E+00 0.519E-01 0.144E-01   0.250E-02 -.130E-03 -.286E-02
   -.342E+02 0.197E+02 0.945E+01   0.353E+02 -.204E+02 -.118E+02   -.115E+01 0.662E+00 0.234E+01   -.301E-04 0.203E-04 -.106E-01
   0.134E+02 -.311E+02 0.314E+02   -.133E+02 0.316E+02 -.317E+02   -.106E+00 -.444E+00 0.258E+00   0.713E-03 -.245E-02 -.676E-02
   0.686E+01 -.128E+02 0.241E+02   -.684E+01 0.128E+02 -.241E+02   -.216E-01 -.976E-03 0.214E-01   0.158E-03 0.112E-02 0.407E-03
   -.863E+00 -.374E+01 0.222E+02   0.847E+00 0.373E+01 -.222E+02   0.172E-01 0.443E-02 0.229E-01   0.577E-03 -.109E-02 0.235E-02
   -.972E+01 0.561E+01 0.159E+02   0.966E+01 -.558E+01 -.159E+02   0.551E-01 -.318E-01 0.412E-01   -.316E-02 0.183E-02 0.351E-02
   -.273E+02 0.584E+01 0.229E+02   0.274E+02 -.590E+01 -.229E+02   -.955E-01 0.616E-01 0.144E-01   0.137E-02 -.209E-02 -.285E-02
   -.204E+02 -.223E+02 0.459E+02   0.204E+02 0.224E+02 -.456E+02   -.240E-02 -.117E+00 -.324E+00   0.426E-02 0.148E-02 -.609E-02
   -.292E+01 -.186E+02 0.371E+02   0.295E+01 0.186E+02 -.370E+02   -.319E-01 0.211E-01 -.157E-01   0.187E-02 -.363E-02 -.933E-03
   0.204E+01 -.118E+01 0.308E+02   -.199E+01 0.115E+01 -.308E+02   -.517E-01 0.299E-01 0.500E-02   0.275E-02 -.159E-02 0.587E-03
   0.280E+01 0.262E+01 0.222E+02   -.281E+01 -.260E+01 -.222E+02   0.477E-02 -.171E-01 0.229E-01   0.124E-02 0.533E-04 0.235E-02
   -.432E+01 0.113E+01 0.209E+02   0.431E+01 -.113E+01 -.209E+02   -.197E-02 0.603E-02 0.126E-01   0.152E-02 -.446E-04 0.221E-02
   -.117E+02 -.585E+01 0.252E+02   0.117E+02 0.587E+01 -.251E+02   0.528E-01 -.193E-01 -.121E+00   0.146E-02 -.154E-02 0.129E-02
   -.657E+01 -.654E+01 0.344E+02   0.653E+01 0.653E+01 -.344E+02   0.335E-01 0.122E-01 -.431E-01   -.194E-04 -.299E-04 0.334E-03
 -----------------------------------------------------------------------------------------------
   -.184E-02 0.337E-03 -.639E+01   -.933E-13 0.114E-12 0.327E-12   0.194E-15 0.121E-16 0.644E+01   -.682E-07 0.606E-07 -.286E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85077      6.05603     12.41174         0.000000      0.000000     -0.000071
      2.67830      7.48936     12.52097        -0.001248     -0.002162     -0.002078
      1.02324      4.62270     12.52097         0.001248      0.002162     -0.002078
     12.34157     -0.00083      9.87985        -0.001384      0.000799     -0.001780
     -1.23328      2.13851      9.88500        -0.001077      0.000546     -0.000253
     -2.46923      4.27621      9.93337         0.000025      0.000599     -0.001565
      8.63820      6.41159      9.94281         0.001795      0.000673     -0.004699
     -4.93577      8.54985      9.91888        -0.002518      0.001072     -0.000465
     -3.70221     10.68643      9.91888        -0.002187      0.001645     -0.000465
      1.23540      2.14017      9.92516        -0.002068      0.005332      0.004200
     -0.00371      4.27873     10.00939        -0.003657     -0.000163      0.005136
     -1.23884      6.41057     10.03598         0.002509     -0.000696      0.004799
     -2.46632      8.54850      9.96738         0.004049     -0.002338     -0.005754
      4.93656      0.00016      9.94281         0.000315     -0.001891     -0.004699
      3.70264      2.13370      9.96167        -0.002999      0.002991      0.000900
      2.47235      4.25335     10.13136        -0.002308      0.004383     -0.005293
      1.21394      6.42371     10.35857        -0.000528      0.000305      0.006217
     -0.00108      8.55444     10.03598         0.001857     -0.001825      0.004799
      1.23214     10.68717      9.93337        -0.000507     -0.000321     -0.001565
      6.17047      2.13630      9.94312         0.000188     -0.001669     -0.000391
      4.93918      4.27293     10.02787        -0.000141      0.000081      0.003325
      3.72273      6.41906     10.13136        -0.004949     -0.000193     -0.005293
      2.46271      8.55071     10.00939        -0.001687      0.003248      0.005136
      3.70141     10.68566      9.88500        -0.001011      0.000660     -0.000253
      8.63866      2.13704      9.90211        -0.000846      0.000488     -0.004637
      7.40521      4.27493      9.94312         0.001539      0.000671     -0.000391
      6.17354      6.41343      9.96167        -0.004090      0.001102      0.000900
      4.93432      8.54689      9.92516        -0.005652     -0.000875      0.004200
      0.00013      1.42640      9.88500         0.001011     -0.000660     -0.000253
     -1.23278      3.56517      9.92516         0.005652      0.000875      0.004200
     -2.47200      5.69863      9.96167         0.004090     -0.001102      0.000900
     -3.70367      7.83713      9.94312        -0.001539     -0.000671     -0.000391
     -4.93713      9.97502      9.90211         0.000846     -0.000488     -0.004637
      2.46940      1.42489      9.93337         0.000507      0.000321     -0.001565
      1.23883      3.56135     10.00939         0.001687     -0.003248      0.005136
     -0.02119      5.69300     10.13136         0.004949      0.000193     -0.005293
     -1.23764      7.83913     10.02787         0.000141     -0.000081      0.003325
     -2.46893      9.97576      9.94312        -0.000188      0.001669     -0.000391
      4.93689      1.42397      9.94281        -0.000315      0.001891     -0.004699
      3.70262      3.55762     10.03598        -0.001857      0.001825      0.004799
      2.48760      5.68835     10.35857         0.000528     -0.000305      0.006217
      1.22919      7.85871     10.13136         0.002308     -0.004383     -0.005293
     -0.00110      9.97836      9.96167         0.002999     -0.002991      0.000900
      7.40375      1.42563      9.91888         0.002187     -0.001645     -0.000465
      6.16786      3.56356      9.96738        -0.004049      0.002338     -0.005754
      4.94038      5.70149     10.03598        -0.002509      0.000696      0.004799
      3.70525      7.83333     10.00939         0.003657      0.000163      0.005136
      2.46614      9.97189      9.92516         0.002068     -0.005332      0.004200
      9.87386      1.42390      9.87985         0.001384     -0.000799     -0.001780
      8.63731      3.56221      9.91888         0.002518     -0.001072     -0.000465
      7.40531      5.69940      9.94281        -0.001795     -0.000673     -0.004699
      6.17077      7.83585      9.93337        -0.000025     -0.000599     -0.001565
      4.93482      9.97355      9.88500         0.001077     -0.000546     -0.000253
 -----------------------------------------------------------------------------------
    total drift:                               -0.001836      0.000337      0.018861


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000028  1 .order   -0.000029   -0.000047   -0.000011
  (g-gl).g = 0.128E-03      g.g   = 0.155E-03  gl.gl    = 0.175E-03
 g(Force)  = 0.150E-03   g(Stress)= 0.582E-05 ortho     =-0.238E-04
 gamma     =   0.73002
 trial     =   0.34385
 opt step  =   0.45101  (harmonic =   0.45101) maximal distance =0.00053042
 next E    =  -469.648800   (d E  =  -0.00003)


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


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  VPU time 5240.94: CPU time 2728.23
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.539   0.392   7.855   8.785
  2        0.542   0.016   0.000   0.558
  3        0.542   0.016   0.000   0.558
  4        0.864   1.780   0.000   2.643
  5        0.863   1.782   0.000   2.645
  6        0.864   1.782   0.000   2.646
  7        0.865   1.785   0.000   2.650
  8        0.864   1.782   0.000   2.646
  9        0.864   1.784   0.000   2.648
 10        0.863   1.781   0.000   2.645
 11        0.864   1.780   0.000   2.644
 12        0.864   1.786   0.000   2.650
 13        0.864   1.782   0.000   2.646
 14        0.865   1.785   0.000   2.649
 15        0.865   1.785   0.000   2.650
 16        0.865   1.775   0.000   2.640
 17        0.849   1.732   0.000   2.580
 18        0.864   1.788   0.000   2.652
 19        0.864   1.783   0.000   2.647
 20        0.864   1.785   0.000   2.649
 21        0.863   1.782   0.000   2.646
 22        0.865   1.767   0.000   2.632
 23        0.864   1.775   0.000   2.638
 24        0.863   1.781   0.000   2.644
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.865   1.783   0.000   2.648
 28        0.863   1.782   0.000   2.646
 29        0.863   1.781   0.000   2.644
 30        0.863   1.782   0.000   2.646
 31        0.865   1.783   0.000   2.648
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.783   0.000   2.647
 35        0.864   1.775   0.000   2.638
 36        0.865   1.767   0.000   2.632
 37        0.863   1.782   0.000   2.646
 38        0.864   1.785   0.000   2.649
 39        0.865   1.785   0.000   2.649
 40        0.864   1.788   0.000   2.652
 41        0.849   1.732   0.000   2.580
 42        0.865   1.775   0.000   2.640
 43        0.865   1.785   0.000   2.650
 44        0.864   1.784   0.000   2.648
 45        0.864   1.782   0.000   2.646
 46        0.864   1.786   0.000   2.650
 47        0.864   1.780   0.000   2.644
 48        0.863   1.781   0.000   2.645
 49        0.864   1.780   0.000   2.643
 50        0.864   1.782   0.000   2.646
 51        0.865   1.785   0.000   2.650
 52        0.864   1.782   0.000   2.646
 53        0.863   1.782   0.000   2.645
------------------------------------------------
tot       44.792  89.404   7.855 142.051
 


 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: -3.239931;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):    96782.620
                            User time (sec):    94122.290
                          System time (sec):     2660.330
                         Elapsed time (sec):    49889.901
  
                   Maximum memory used (kb):           0.
                   Average memory used (kb):           0.
  
                          Minor page faults:   1487836816
                          Major page faults:            0
                 Voluntary context switches:       346091
