 vasp.6.3.2 27Jun22 (build Jan 30 2023 11:23:05) complex                        
  
 executed on             LinuxIFC date 2023.03.23  03:22:05
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORE=   4 cores,    4 groups


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


 INCAR:
   SYSTEM = Al Lattice Relaxation  HSE06-1/2x vdW-DF2, Parralel 2D minimization
   GGA = PE
   LHFCALC = .TRUE.
   HFSCREEN = 0.2
   AEXX = 0.5
   AGGAC = 0.0
   LUSE_VDW = .TRUE.
   ZAB_VDW = -1.8667
   LASPH = .TRUE.
   PREC = Accurate
   ALGO = Damped
   TIME = 0.2
   ENCUT = 400
   NELM = 100
   NELMIN = 2
   ICHARGE = 1
   ISTART = 1
   ISPIN = 2
   ISYM = 0
   ISMEAR = 1
   SIGMA = 0.2
   IBRION = -1
   NSW = 0
   EDIFFG = -0.005
   ADDGRID = .TRUE.
   EDIFF = 1.E-5
   LCHARGE = .TRUE.
   LWAVE = .TRUE.
   NPAR = 4
   DEFAULT = Nr_Cores
   OPTIMUM = sqrt(Nr_Cores) and int multpl of Nr_Cores
   KPAR = 1
   LPLANE = .TRUE.
   NSIM = 4

 POTCAR:    PAW_PBE Al 04Jan2001                  
 -----------------------------------------------------------------------------
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|     You use a magnetic or noncollinear calculation, but did not specify     |
|     the initial magnetic moment with the MAGMOM tag. Note that a            |
|     default of 1 will be used for all atoms. This ferromagnetic setup       |
|     may break the symmetry of the crystal, in particular it may rule        |
|     out finding an antiferromagnetic solution. Thence, we recommend         |
|     setting the initial magnetic moment manually or verifying carefully     |
|     that this magnetic setup is desired.                                    |
|                                                                             |
 -----------------------------------------------------------------------------

 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You have switched on vdW-DFT.                                           |
|     This routine was written and supplied by Jiri Klimes. We recommend      |
|     that you carefully read and cite the following publications:            |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          J. Phys.: Cond Matt. 22 022201 (2010)                              |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          Phys. Rev. B. 83, 195131 (2011)                                    |
|     and references therein.                                                 |
|                                                                             |
 -----------------------------------------------------------------------------

 POTCAR:    PAW_PBE Al 04Jan2001                  
   VRHFIN =Al: s2p1                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =    53.5387 eV,    3.9350 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Al 04Jan2001                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =   26.981; ZVAL   =    3.000    mass and valenz                                          
   RCORE  =    1.900    outmost cutoff radius                                                       
   RWIGS  =    2.650; RWIGS  =    1.402    wigner-seitz radius (au A)                               
   ENMAX  =  240.300; ENMIN  =  180.225 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  291.052                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    1.939    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.966    radius for radial grids                                                     
   RDEPT  =    1.856    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    6 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50     -1511.1048   2.0000                                                             
     2  0  0.50      -108.1629   2.0000                                                             
     2  1  1.50       -69.6402   6.0000                                                             
     3  0  0.50        -7.7528   2.0000                                                             
     3  1  1.50        -2.7121   1.0000                                                             
     3  2  2.50        -2.7212   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     0     -7.7528455     23  1.900                                                                 
     0     -3.3096929     23  1.900                                                                 
     1     -2.7120682     23  1.900                                                                 
     1     13.6058260     23  1.900                                                                 
     2     -2.7211652      7  1.900                                                                 
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density 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
 
  PAW_PBE Al 04Jan2001                  :
 energy of atom  1       EATOM=  -53.5387
 kinetic energy error for atom=    0.0005 (will be added to EATOM!!)
 
 
 POSCAR: Al
  positions in cartesian coordinates
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   2 2.86   2 2.86   2 2.86
   2  0.333  0.333  0.106-   3 2.86   1 2.86   1 2.86   3 2.86   1 2.86   3 2.86
   3  0.667  0.667  0.212-   4 2.70   4 2.70   4 2.70   2 2.86   2 2.86   2 2.86
   4  0.000  0.000  0.309-   3 2.70   3 2.70   3 2.70
 

IMPORTANT INFORMATION: All symmetrisations will be switched off!
NOSYMM: (Re-)initialisation of all symmetry stuff for point group C_1.


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

                                     Primitive cell                                     

  volume of cell :     155.5608

  direct lattice vectors                    reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954

  position of ions in fractional coordinates (direct lattice)
     0.000000000  0.000000000  0.000000000
     0.333333333  0.333333333  0.106053564
     0.666666667  0.666666667  0.212107129
     0.000000000  0.000000000  0.309069502

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4

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

 
 
 KPOINTS: Automatic Mesh                          

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:   25   25    1

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
     0.013998447 -0.008082007  0.000000000     0.040000000  0.000000000  0.000000000
     0.000000000  0.016164015  0.000000000     0.000000000  0.040000000  0.000000000
     0.000000000  0.000000000  0.045455954     0.000000000  0.000000000  1.000000000

  Length of vectors
     0.016164015  0.016164015  0.045455954

  Shift w.r.t. Gamma in fractional coordinates (k-lattice)
     0.000000000  0.000000000  0.000000000

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    313 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.040000  0.000000  0.000000      2.000000
  0.040000  0.040000  0.000000      2.000000
  0.000000  0.040000  0.000000      2.000000
  0.080000  0.000000  0.000000      2.000000
  0.080000  0.080000  0.000000      2.000000
  0.000000  0.080000  0.000000      2.000000
  0.120000  0.000000  0.000000      2.000000
  0.120000  0.120000  0.000000      2.000000
  0.000000  0.120000  0.000000      2.000000
  0.160000  0.000000  0.000000      2.000000
  0.160000  0.160000  0.000000      2.000000
  0.000000  0.160000  0.000000      2.000000
  0.200000  0.000000  0.000000      2.000000
  0.200000  0.200000  0.000000      2.000000
  0.000000  0.200000  0.000000      2.000000
  0.240000  0.000000  0.000000      2.000000
  0.240000  0.240000  0.000000      2.000000
  0.000000  0.240000  0.000000      2.000000
  0.280000  0.000000  0.000000      2.000000
  0.280000  0.280000  0.000000      2.000000
  0.000000  0.280000  0.000000      2.000000
  0.320000  0.000000  0.000000      2.000000
  0.320000  0.320000  0.000000      2.000000
  0.000000  0.320000  0.000000      2.000000
  0.360000  0.000000  0.000000      2.000000
  0.360000  0.360000  0.000000      2.000000
  0.000000  0.360000  0.000000      2.000000
  0.400000  0.000000  0.000000      2.000000
  0.400000  0.400000  0.000000      2.000000
  0.000000  0.400000  0.000000      2.000000
  0.440000  0.000000  0.000000      2.000000
  0.440000  0.440000  0.000000      2.000000
  0.000000  0.440000  0.000000      2.000000
  0.480000  0.000000  0.000000      2.000000
  0.480000  0.480000  0.000000      2.000000
  0.000000  0.480000  0.000000      2.000000
  0.080000  0.040000  0.000000      2.000000
  0.040000  0.080000  0.000000      2.000000
 -0.040000  0.040000  0.000000      2.000000
  0.120000  0.040000  0.000000      2.000000
  0.080000  0.120000  0.000000      2.000000
 -0.040000  0.080000  0.000000      2.000000
  0.080000 -0.040000  0.000000      2.000000
 -0.040000 -0.120000  0.000000      2.000000
 -0.120000 -0.080000  0.000000      2.000000
  0.160000  0.040000  0.000000      2.000000
  0.120000  0.160000  0.000000      2.000000
 -0.040000  0.120000  0.000000      2.000000
  0.120000 -0.040000  0.000000      2.000000
 -0.040000 -0.160000  0.000000      2.000000
 -0.160000 -0.120000  0.000000      2.000000
  0.200000  0.040000  0.000000      2.000000
  0.160000  0.200000  0.000000      2.000000
 -0.040000  0.160000  0.000000      2.000000
  0.160000 -0.040000  0.000000      2.000000
 -0.040000 -0.200000  0.000000      2.000000
 -0.200000 -0.160000  0.000000      2.000000
  0.240000  0.040000  0.000000      2.000000
  0.200000  0.240000  0.000000      2.000000
 -0.040000  0.200000  0.000000      2.000000
  0.200000 -0.040000  0.000000      2.000000
 -0.040000 -0.240000  0.000000      2.000000
 -0.240000 -0.200000  0.000000      2.000000
  0.280000  0.040000  0.000000      2.000000
  0.240000  0.280000  0.000000      2.000000
 -0.040000  0.240000  0.000000      2.000000
  0.240000 -0.040000  0.000000      2.000000
 -0.040000 -0.280000  0.000000      2.000000
 -0.280000 -0.240000  0.000000      2.000000
  0.320000  0.040000  0.000000      2.000000
  0.280000  0.320000  0.000000      2.000000
 -0.040000  0.280000  0.000000      2.000000
  0.280000 -0.040000  0.000000      2.000000
 -0.040000 -0.320000  0.000000      2.000000
 -0.320000 -0.280000  0.000000      2.000000
  0.360000  0.040000  0.000000      2.000000
  0.320000  0.360000  0.000000      2.000000
 -0.040000  0.320000  0.000000      2.000000
  0.320000 -0.040000  0.000000      2.000000
 -0.040000 -0.360000  0.000000      2.000000
 -0.360000 -0.320000  0.000000      2.000000
  0.400000  0.040000  0.000000      2.000000
  0.360000  0.400000  0.000000      2.000000
 -0.040000  0.360000  0.000000      2.000000
  0.360000 -0.040000  0.000000      2.000000
 -0.040000 -0.400000  0.000000      2.000000
 -0.400000 -0.360000  0.000000      2.000000
  0.440000  0.040000  0.000000      2.000000
  0.400000  0.440000  0.000000      2.000000
 -0.040000  0.400000  0.000000      2.000000
  0.400000 -0.040000  0.000000      2.000000
 -0.040000 -0.440000  0.000000      2.000000
 -0.440000 -0.400000  0.000000      2.000000
  0.480000  0.040000  0.000000      2.000000
  0.440000  0.480000  0.000000      2.000000
 -0.040000  0.440000  0.000000      2.000000
  0.440000 -0.040000  0.000000      2.000000
 -0.040000 -0.480000  0.000000      2.000000
 -0.480000 -0.440000  0.000000      2.000000
 -0.480000  0.040000  0.000000      2.000000
  0.480000 -0.480000  0.000000      2.000000
 -0.040000  0.480000  0.000000      2.000000
  0.160000  0.080000  0.000000      2.000000
  0.080000  0.160000  0.000000      2.000000
 -0.080000  0.080000  0.000000      2.000000
  0.200000  0.080000  0.000000      2.000000
  0.120000  0.200000  0.000000      2.000000
 -0.080000  0.120000  0.000000      2.000000
  0.120000 -0.080000  0.000000      2.000000
 -0.080000 -0.200000  0.000000      2.000000
 -0.200000 -0.120000  0.000000      2.000000
  0.240000  0.080000  0.000000      2.000000
  0.160000  0.240000  0.000000      2.000000
 -0.080000  0.160000  0.000000      2.000000
  0.160000 -0.080000  0.000000      2.000000
 -0.080000 -0.240000  0.000000      2.000000
 -0.240000 -0.160000  0.000000      2.000000
  0.280000  0.080000  0.000000      2.000000
  0.200000  0.280000  0.000000      2.000000
 -0.080000  0.200000  0.000000      2.000000
  0.200000 -0.080000  0.000000      2.000000
 -0.080000 -0.280000  0.000000      2.000000
 -0.280000 -0.200000  0.000000      2.000000
  0.320000  0.080000  0.000000      2.000000
  0.240000  0.320000  0.000000      2.000000
 -0.080000  0.240000  0.000000      2.000000
  0.240000 -0.080000  0.000000      2.000000
 -0.080000 -0.320000  0.000000      2.000000
 -0.320000 -0.240000  0.000000      2.000000
  0.360000  0.080000  0.000000      2.000000
  0.280000  0.360000  0.000000      2.000000
 -0.080000  0.280000  0.000000      2.000000
  0.280000 -0.080000  0.000000      2.000000
 -0.080000 -0.360000  0.000000      2.000000
 -0.360000 -0.280000  0.000000      2.000000
  0.400000  0.080000  0.000000      2.000000
  0.320000  0.400000  0.000000      2.000000
 -0.080000  0.320000  0.000000      2.000000
  0.320000 -0.080000  0.000000      2.000000
 -0.080000 -0.400000  0.000000      2.000000
 -0.400000 -0.320000  0.000000      2.000000
  0.440000  0.080000  0.000000      2.000000
  0.360000  0.440000  0.000000      2.000000
 -0.080000  0.360000  0.000000      2.000000
  0.360000 -0.080000  0.000000      2.000000
 -0.080000 -0.440000  0.000000      2.000000
 -0.440000 -0.360000  0.000000      2.000000
  0.480000  0.080000  0.000000      2.000000
  0.400000  0.480000  0.000000      2.000000
 -0.080000  0.400000  0.000000      2.000000
  0.400000 -0.080000  0.000000      2.000000
 -0.080000 -0.480000  0.000000      2.000000
 -0.480000 -0.400000  0.000000      2.000000
 -0.480000  0.080000  0.000000      2.000000
  0.440000 -0.480000  0.000000      2.000000
 -0.080000  0.440000  0.000000      2.000000
  0.440000 -0.080000  0.000000      2.000000
 -0.080000  0.480000  0.000000      2.000000
  0.480000 -0.440000  0.000000      2.000000
  0.240000  0.120000  0.000000      2.000000
  0.120000  0.240000  0.000000      2.000000
 -0.120000  0.120000  0.000000      2.000000
  0.280000  0.120000  0.000000      2.000000
  0.160000  0.280000  0.000000      2.000000
 -0.120000  0.160000  0.000000      2.000000
  0.160000 -0.120000  0.000000      2.000000
 -0.120000 -0.280000  0.000000      2.000000
 -0.280000 -0.160000  0.000000      2.000000
  0.320000  0.120000  0.000000      2.000000
  0.200000  0.320000  0.000000      2.000000
 -0.120000  0.200000  0.000000      2.000000
  0.200000 -0.120000  0.000000      2.000000
 -0.120000 -0.320000  0.000000      2.000000
 -0.320000 -0.200000  0.000000      2.000000
  0.360000  0.120000  0.000000      2.000000
  0.240000  0.360000  0.000000      2.000000
 -0.120000  0.240000  0.000000      2.000000
  0.240000 -0.120000  0.000000      2.000000
 -0.120000 -0.360000  0.000000      2.000000
 -0.360000 -0.240000  0.000000      2.000000
  0.400000  0.120000  0.000000      2.000000
  0.280000  0.400000  0.000000      2.000000
 -0.120000  0.280000  0.000000      2.000000
  0.280000 -0.120000  0.000000      2.000000
 -0.120000 -0.400000  0.000000      2.000000
 -0.400000 -0.280000  0.000000      2.000000
  0.440000  0.120000  0.000000      2.000000
  0.320000  0.440000  0.000000      2.000000
 -0.120000  0.320000  0.000000      2.000000
  0.320000 -0.120000  0.000000      2.000000
 -0.120000 -0.440000  0.000000      2.000000
 -0.440000 -0.320000  0.000000      2.000000
  0.480000  0.120000  0.000000      2.000000
  0.360000  0.480000  0.000000      2.000000
 -0.120000  0.360000  0.000000      2.000000
  0.360000 -0.120000  0.000000      2.000000
 -0.120000 -0.480000  0.000000      2.000000
 -0.480000 -0.360000  0.000000      2.000000
 -0.480000  0.120000  0.000000      2.000000
  0.400000 -0.480000  0.000000      2.000000
 -0.120000  0.400000  0.000000      2.000000
  0.400000 -0.120000  0.000000      2.000000
 -0.120000  0.480000  0.000000      2.000000
  0.480000 -0.400000  0.000000      2.000000
 -0.440000  0.120000  0.000000      2.000000
  0.440000 -0.440000  0.000000      2.000000
 -0.120000  0.440000  0.000000      2.000000
  0.320000  0.160000  0.000000      2.000000
  0.160000  0.320000  0.000000      2.000000
 -0.160000  0.160000  0.000000      2.000000
  0.360000  0.160000  0.000000      2.000000
  0.200000  0.360000  0.000000      2.000000
 -0.160000  0.200000  0.000000      2.000000
  0.200000 -0.160000  0.000000      2.000000
 -0.160000 -0.360000  0.000000      2.000000
 -0.360000 -0.200000  0.000000      2.000000
  0.400000  0.160000  0.000000      2.000000
  0.240000  0.400000  0.000000      2.000000
 -0.160000  0.240000  0.000000      2.000000
  0.240000 -0.160000  0.000000      2.000000
 -0.160000 -0.400000  0.000000      2.000000
 -0.400000 -0.240000  0.000000      2.000000
  0.440000  0.160000  0.000000      2.000000
  0.280000  0.440000  0.000000      2.000000
 -0.160000  0.280000  0.000000      2.000000
  0.280000 -0.160000  0.000000      2.000000
 -0.160000 -0.440000  0.000000      2.000000
 -0.440000 -0.280000  0.000000      2.000000
  0.480000  0.160000  0.000000      2.000000
  0.320000  0.480000  0.000000      2.000000
 -0.160000  0.320000  0.000000      2.000000
  0.320000 -0.160000  0.000000      2.000000
 -0.160000 -0.480000  0.000000      2.000000
 -0.480000 -0.320000  0.000000      2.000000
 -0.480000  0.160000  0.000000      2.000000
  0.360000 -0.480000  0.000000      2.000000
 -0.160000  0.360000  0.000000      2.000000
  0.360000 -0.160000  0.000000      2.000000
 -0.160000  0.480000  0.000000      2.000000
  0.480000 -0.360000  0.000000      2.000000
 -0.440000  0.160000  0.000000      2.000000
  0.400000 -0.440000  0.000000      2.000000
 -0.160000  0.400000  0.000000      2.000000
  0.400000 -0.160000  0.000000      2.000000
 -0.160000  0.440000  0.000000      2.000000
  0.440000 -0.400000  0.000000      2.000000
  0.400000  0.200000  0.000000      2.000000
  0.200000  0.400000  0.000000      2.000000
 -0.200000  0.200000  0.000000      2.000000
  0.440000  0.200000  0.000000      2.000000
  0.240000  0.440000  0.000000      2.000000
 -0.200000  0.240000  0.000000      2.000000
  0.240000 -0.200000  0.000000      2.000000
 -0.200000 -0.440000  0.000000      2.000000
 -0.440000 -0.240000  0.000000      2.000000
  0.480000  0.200000  0.000000      2.000000
  0.280000  0.480000  0.000000      2.000000
 -0.200000  0.280000  0.000000      2.000000
  0.280000 -0.200000  0.000000      2.000000
 -0.200000 -0.480000  0.000000      2.000000
 -0.480000 -0.280000  0.000000      2.000000
 -0.480000  0.200000  0.000000      2.000000
  0.320000 -0.480000  0.000000      2.000000
 -0.200000  0.320000  0.000000      2.000000
  0.320000 -0.200000  0.000000      2.000000
 -0.200000  0.480000  0.000000      2.000000
  0.480000 -0.320000  0.000000      2.000000
 -0.440000  0.200000  0.000000      2.000000
  0.360000 -0.440000  0.000000      2.000000
 -0.200000  0.360000  0.000000      2.000000
  0.360000 -0.200000  0.000000      2.000000
 -0.200000  0.440000  0.000000      2.000000
  0.440000 -0.360000  0.000000      2.000000
 -0.400000  0.200000  0.000000      2.000000
  0.400000 -0.400000  0.000000      2.000000
 -0.200000  0.400000  0.000000      2.000000
  0.480000  0.240000  0.000000      2.000000
  0.240000  0.480000  0.000000      2.000000
 -0.240000  0.240000  0.000000      2.000000
 -0.480000  0.240000  0.000000      2.000000
  0.280000 -0.480000  0.000000      2.000000
 -0.240000  0.280000  0.000000      2.000000
  0.280000 -0.240000  0.000000      2.000000
 -0.240000  0.480000  0.000000      2.000000
  0.480000 -0.280000  0.000000      2.000000
 -0.440000  0.240000  0.000000      2.000000
  0.320000 -0.440000  0.000000      2.000000
 -0.240000  0.320000  0.000000      2.000000
  0.320000 -0.240000  0.000000      2.000000
 -0.240000  0.440000  0.000000      2.000000
  0.440000 -0.320000  0.000000      2.000000
 -0.400000  0.240000  0.000000      2.000000
  0.360000 -0.400000  0.000000      2.000000
 -0.240000  0.360000  0.000000      2.000000
  0.360000 -0.240000  0.000000      2.000000
 -0.240000  0.400000  0.000000      2.000000
  0.400000 -0.360000  0.000000      2.000000
 -0.440000  0.280000  0.000000      2.000000
  0.280000 -0.440000  0.000000      2.000000
 -0.280000  0.280000  0.000000      2.000000
 -0.400000  0.280000  0.000000      2.000000
  0.320000 -0.400000  0.000000      2.000000
 -0.280000  0.320000  0.000000      2.000000
  0.320000 -0.280000  0.000000      2.000000
 -0.280000  0.400000  0.000000      2.000000
  0.400000 -0.320000  0.000000      2.000000
 -0.360000  0.280000  0.000000      2.000000
  0.360000 -0.360000  0.000000      2.000000
 -0.280000  0.360000  0.000000      2.000000
 -0.360000  0.320000  0.000000      2.000000
  0.320000 -0.360000  0.000000      2.000000
 -0.320000  0.320000  0.000000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.013998 -0.008082  0.000000      2.000000
  0.013998  0.008082  0.000000      2.000000
  0.000000  0.016164  0.000000      2.000000
  0.027997 -0.016164  0.000000      2.000000
  0.027997  0.016164  0.000000      2.000000
  0.000000  0.032328  0.000000      2.000000
  0.041995 -0.024246  0.000000      2.000000
  0.041995  0.024246  0.000000      2.000000
  0.000000  0.048492  0.000000      2.000000
  0.055994 -0.032328  0.000000      2.000000
  0.055994  0.032328  0.000000      2.000000
  0.000000  0.064656  0.000000      2.000000
  0.069992 -0.040410  0.000000      2.000000
  0.069992  0.040410  0.000000      2.000000
  0.000000  0.080820  0.000000      2.000000
  0.083991 -0.048492  0.000000      2.000000
  0.083991  0.048492  0.000000      2.000000
  0.000000  0.096984  0.000000      2.000000
  0.097989 -0.056574  0.000000      2.000000
  0.097989  0.056574  0.000000      2.000000
  0.000000  0.113148  0.000000      2.000000
  0.111988 -0.064656  0.000000      2.000000
  0.111988  0.064656  0.000000      2.000000
  0.000000  0.129312  0.000000      2.000000
  0.125986 -0.072738  0.000000      2.000000
  0.125986  0.072738  0.000000      2.000000
  0.000000  0.145476  0.000000      2.000000
  0.139984 -0.080820  0.000000      2.000000
  0.139984  0.080820  0.000000      2.000000
  0.000000  0.161640  0.000000      2.000000
  0.153983 -0.088902  0.000000      2.000000
  0.153983  0.088902  0.000000      2.000000
  0.000000  0.177804  0.000000      2.000000
  0.167981 -0.096984  0.000000      2.000000
  0.167981  0.096984  0.000000      2.000000
  0.000000  0.193968  0.000000      2.000000
  0.027997  0.000000  0.000000      2.000000
  0.013998  0.024246  0.000000      2.000000
 -0.013998  0.024246  0.000000      2.000000
  0.041995 -0.008082  0.000000      2.000000
  0.027997  0.032328  0.000000      2.000000
 -0.013998  0.040410  0.000000      2.000000
  0.027997 -0.032328  0.000000      2.000000
 -0.013998 -0.040410  0.000000      2.000000
 -0.041995 -0.008082  0.000000      2.000000
  0.055994 -0.016164  0.000000      2.000000
  0.041995  0.040410  0.000000      2.000000
 -0.013998  0.056574  0.000000      2.000000
  0.041995 -0.040410  0.000000      2.000000
 -0.013998 -0.056574  0.000000      2.000000
 -0.055994 -0.016164  0.000000      2.000000
  0.069992 -0.024246  0.000000      2.000000
  0.055994  0.048492  0.000000      2.000000
 -0.013998  0.072738  0.000000      2.000000
  0.055994 -0.048492  0.000000      2.000000
 -0.013998 -0.072738  0.000000      2.000000
 -0.069992 -0.024246  0.000000      2.000000
  0.083991 -0.032328  0.000000      2.000000
  0.069992  0.056574  0.000000      2.000000
 -0.013998  0.088902  0.000000      2.000000
  0.069992 -0.056574  0.000000      2.000000
 -0.013998 -0.088902  0.000000      2.000000
 -0.083991 -0.032328  0.000000      2.000000
  0.097989 -0.040410  0.000000      2.000000
  0.083991  0.064656  0.000000      2.000000
 -0.013998  0.105066  0.000000      2.000000
  0.083991 -0.064656  0.000000      2.000000
 -0.013998 -0.105066  0.000000      2.000000
 -0.097989 -0.040410  0.000000      2.000000
  0.111988 -0.048492  0.000000      2.000000
  0.097989  0.072738  0.000000      2.000000
 -0.013998  0.121230  0.000000      2.000000
  0.097989 -0.072738  0.000000      2.000000
 -0.013998 -0.121230  0.000000      2.000000
 -0.111988 -0.048492  0.000000      2.000000
  0.125986 -0.056574  0.000000      2.000000
  0.111988  0.080820  0.000000      2.000000
 -0.013998  0.137394  0.000000      2.000000
  0.111988 -0.080820  0.000000      2.000000
 -0.013998 -0.137394  0.000000      2.000000
 -0.125986 -0.056574  0.000000      2.000000
  0.139984 -0.064656  0.000000      2.000000
  0.125986  0.088902  0.000000      2.000000
 -0.013998  0.153558  0.000000      2.000000
  0.125986 -0.088902  0.000000      2.000000
 -0.013998 -0.153558  0.000000      2.000000
 -0.139984 -0.064656  0.000000      2.000000
  0.153983 -0.072738  0.000000      2.000000
  0.139984  0.096984  0.000000      2.000000
 -0.013998  0.169722  0.000000      2.000000
  0.139984 -0.096984  0.000000      2.000000
 -0.013998 -0.169722  0.000000      2.000000
 -0.153983 -0.072738  0.000000      2.000000
  0.167981 -0.080820  0.000000      2.000000
  0.153983  0.105066  0.000000      2.000000
 -0.013998  0.185886  0.000000      2.000000
  0.153983 -0.105066  0.000000      2.000000
 -0.013998 -0.185886  0.000000      2.000000
 -0.167981 -0.080820  0.000000      2.000000
 -0.167981  0.113148  0.000000      2.000000
  0.167981 -0.290952  0.000000      2.000000
 -0.013998  0.202050  0.000000      2.000000
  0.055994  0.000000  0.000000      2.000000
  0.027997  0.048492  0.000000      2.000000
 -0.027997  0.048492  0.000000      2.000000
  0.069992 -0.008082  0.000000      2.000000
  0.041995  0.056574  0.000000      2.000000
 -0.027997  0.064656  0.000000      2.000000
  0.041995 -0.056574  0.000000      2.000000
 -0.027997 -0.064656  0.000000      2.000000
 -0.069992 -0.008082  0.000000      2.000000
  0.083991 -0.016164  0.000000      2.000000
  0.055994  0.064656  0.000000      2.000000
 -0.027997  0.080820  0.000000      2.000000
  0.055994 -0.064656  0.000000      2.000000
 -0.027997 -0.080820  0.000000      2.000000
 -0.083991 -0.016164  0.000000      2.000000
  0.097989 -0.024246  0.000000      2.000000
  0.069992  0.072738  0.000000      2.000000
 -0.027997  0.096984  0.000000      2.000000
  0.069992 -0.072738  0.000000      2.000000
 -0.027997 -0.096984  0.000000      2.000000
 -0.097989 -0.024246  0.000000      2.000000
  0.111988 -0.032328  0.000000      2.000000
  0.083991  0.080820  0.000000      2.000000
 -0.027997  0.113148  0.000000      2.000000
  0.083991 -0.080820  0.000000      2.000000
 -0.027997 -0.113148  0.000000      2.000000
 -0.111988 -0.032328  0.000000      2.000000
  0.125986 -0.040410  0.000000      2.000000
  0.097989  0.088902  0.000000      2.000000
 -0.027997  0.129312  0.000000      2.000000
  0.097989 -0.088902  0.000000      2.000000
 -0.027997 -0.129312  0.000000      2.000000
 -0.125986 -0.040410  0.000000      2.000000
  0.139984 -0.048492  0.000000      2.000000
  0.111988  0.096984  0.000000      2.000000
 -0.027997  0.145476  0.000000      2.000000
  0.111988 -0.096984  0.000000      2.000000
 -0.027997 -0.145476  0.000000      2.000000
 -0.139984 -0.048492  0.000000      2.000000
  0.153983 -0.056574  0.000000      2.000000
  0.125986  0.105066  0.000000      2.000000
 -0.027997  0.161640  0.000000      2.000000
  0.125986 -0.105066  0.000000      2.000000
 -0.027997 -0.161640  0.000000      2.000000
 -0.153983 -0.056574  0.000000      2.000000
  0.167981 -0.064656  0.000000      2.000000
  0.139984  0.113148  0.000000      2.000000
 -0.027997  0.177804  0.000000      2.000000
  0.139984 -0.113148  0.000000      2.000000
 -0.027997 -0.177804  0.000000      2.000000
 -0.167981 -0.064656  0.000000      2.000000
 -0.167981  0.129312  0.000000      2.000000
  0.153983 -0.282870  0.000000      2.000000
 -0.027997  0.193968  0.000000      2.000000
  0.153983 -0.121230  0.000000      2.000000
 -0.027997  0.210132  0.000000      2.000000
  0.167981 -0.274788  0.000000      2.000000
  0.083991 -0.000000  0.000000      2.000000
  0.041995  0.072738  0.000000      2.000000
 -0.041995  0.072738  0.000000      2.000000
  0.097989 -0.008082  0.000000      2.000000
  0.055994  0.080820  0.000000      2.000000
 -0.041995  0.088902  0.000000      2.000000
  0.055994 -0.080820  0.000000      2.000000
 -0.041995 -0.088902  0.000000      2.000000
 -0.097989 -0.008082  0.000000      2.000000
  0.111988 -0.016164  0.000000      2.000000
  0.069992  0.088902  0.000000      2.000000
 -0.041995  0.105066  0.000000      2.000000
  0.069992 -0.088902  0.000000      2.000000
 -0.041995 -0.105066  0.000000      2.000000
 -0.111988 -0.016164  0.000000      2.000000
  0.125986 -0.024246  0.000000      2.000000
  0.083991  0.096984  0.000000      2.000000
 -0.041995  0.121230  0.000000      2.000000
  0.083991 -0.096984  0.000000      2.000000
 -0.041995 -0.121230  0.000000      2.000000
 -0.125986 -0.024246  0.000000      2.000000
  0.139984 -0.032328  0.000000      2.000000
  0.097989  0.105066  0.000000      2.000000
 -0.041995  0.137394  0.000000      2.000000
  0.097989 -0.105066  0.000000      2.000000
 -0.041995 -0.137394  0.000000      2.000000
 -0.139984 -0.032328  0.000000      2.000000
  0.153983 -0.040410  0.000000      2.000000
  0.111988  0.113148  0.000000      2.000000
 -0.041995  0.153558  0.000000      2.000000
  0.111988 -0.113148  0.000000      2.000000
 -0.041995 -0.153558  0.000000      2.000000
 -0.153983 -0.040410  0.000000      2.000000
  0.167981 -0.048492  0.000000      2.000000
  0.125986  0.121230  0.000000      2.000000
 -0.041995  0.169722  0.000000      2.000000
  0.125986 -0.121230  0.000000      2.000000
 -0.041995 -0.169722  0.000000      2.000000
 -0.167981 -0.048492  0.000000      2.000000
 -0.167981  0.145476  0.000000      2.000000
  0.139984 -0.274788  0.000000      2.000000
 -0.041995  0.185886  0.000000      2.000000
  0.139984 -0.129312  0.000000      2.000000
 -0.041995  0.218214  0.000000      2.000000
  0.167981 -0.258624  0.000000      2.000000
 -0.153983  0.137394  0.000000      2.000000
  0.153983 -0.266706  0.000000      2.000000
 -0.041995  0.202050  0.000000      2.000000
  0.111988 -0.000000  0.000000      2.000000
  0.055994  0.096984  0.000000      2.000000
 -0.055994  0.096984  0.000000      2.000000
  0.125986 -0.008082  0.000000      2.000000
  0.069992  0.105066  0.000000      2.000000
 -0.055994  0.113148  0.000000      2.000000
  0.069992 -0.105066  0.000000      2.000000
 -0.055994 -0.113148  0.000000      2.000000
 -0.125986 -0.008082  0.000000      2.000000
  0.139984 -0.016164  0.000000      2.000000
  0.083991  0.113148  0.000000      2.000000
 -0.055994  0.129312  0.000000      2.000000
  0.083991 -0.113148  0.000000      2.000000
 -0.055994 -0.129312  0.000000      2.000000
 -0.139984 -0.016164  0.000000      2.000000
  0.153983 -0.024246  0.000000      2.000000
  0.097989  0.121230  0.000000      2.000000
 -0.055994  0.145476  0.000000      2.000000
  0.097989 -0.121230  0.000000      2.000000
 -0.055994 -0.145476  0.000000      2.000000
 -0.153983 -0.024246  0.000000      2.000000
  0.167981 -0.032328  0.000000      2.000000
  0.111988  0.129312  0.000000      2.000000
 -0.055994  0.161640  0.000000      2.000000
  0.111988 -0.129312  0.000000      2.000000
 -0.055994 -0.161640  0.000000      2.000000
 -0.167981 -0.032328  0.000000      2.000000
 -0.167981  0.161640  0.000000      2.000000
  0.125986 -0.266706  0.000000      2.000000
 -0.055994  0.177804  0.000000      2.000000
  0.125986 -0.137394  0.000000      2.000000
 -0.055994  0.226296  0.000000      2.000000
  0.167981 -0.242460  0.000000      2.000000
 -0.153983  0.153558  0.000000      2.000000
  0.139984 -0.258624  0.000000      2.000000
 -0.055994  0.193968  0.000000      2.000000
  0.139984 -0.145476  0.000000      2.000000
 -0.055994  0.210132  0.000000      2.000000
  0.153983 -0.250542  0.000000      2.000000
  0.139984  0.000000  0.000000      2.000000
  0.069992  0.121230  0.000000      2.000000
 -0.069992  0.121230  0.000000      2.000000
  0.153983 -0.008082  0.000000      2.000000
  0.083991  0.129312  0.000000      2.000000
 -0.069992  0.137394  0.000000      2.000000
  0.083991 -0.129312  0.000000      2.000000
 -0.069992 -0.137394  0.000000      2.000000
 -0.153983 -0.008082  0.000000      2.000000
  0.167981 -0.016164  0.000000      2.000000
  0.097989  0.137394  0.000000      2.000000
 -0.069992  0.153558  0.000000      2.000000
  0.097989 -0.137394  0.000000      2.000000
 -0.069992 -0.153558  0.000000      2.000000
 -0.167981 -0.016164  0.000000      2.000000
 -0.167981  0.177804  0.000000      2.000000
  0.111988 -0.258624  0.000000      2.000000
 -0.069992  0.169722  0.000000      2.000000
  0.111988 -0.145476  0.000000      2.000000
 -0.069992  0.234378  0.000000      2.000000
  0.167981 -0.226296  0.000000      2.000000
 -0.153983  0.169722  0.000000      2.000000
  0.125986 -0.250542  0.000000      2.000000
 -0.069992  0.185886  0.000000      2.000000
  0.125986 -0.153558  0.000000      2.000000
 -0.069992  0.218214  0.000000      2.000000
  0.153983 -0.234378  0.000000      2.000000
 -0.139984  0.161640  0.000000      2.000000
  0.139984 -0.242460  0.000000      2.000000
 -0.069992  0.202050  0.000000      2.000000
  0.167981  0.000000  0.000000      2.000000
  0.083991  0.145476  0.000000      2.000000
 -0.083991  0.145476  0.000000      2.000000
 -0.167981  0.193968  0.000000      2.000000
  0.097989 -0.250542  0.000000      2.000000
 -0.083991  0.161640  0.000000      2.000000
  0.097989 -0.153558  0.000000      2.000000
 -0.083991  0.242460  0.000000      2.000000
  0.167981 -0.210132  0.000000      2.000000
 -0.153983  0.185886  0.000000      2.000000
  0.111988 -0.242460  0.000000      2.000000
 -0.083991  0.177804  0.000000      2.000000
  0.111988 -0.161640  0.000000      2.000000
 -0.083991  0.226296  0.000000      2.000000
  0.153983 -0.218214  0.000000      2.000000
 -0.139984  0.177804  0.000000      2.000000
  0.125986 -0.234378  0.000000      2.000000
 -0.083991  0.193968  0.000000      2.000000
  0.125986 -0.169722  0.000000      2.000000
 -0.083991  0.210132  0.000000      2.000000
  0.139984 -0.226296  0.000000      2.000000
 -0.153983  0.202050  0.000000      2.000000
  0.097989 -0.234378  0.000000      2.000000
 -0.097989  0.169722  0.000000      2.000000
 -0.139984  0.193968  0.000000      2.000000
  0.111988 -0.226296  0.000000      2.000000
 -0.097989  0.185886  0.000000      2.000000
  0.111988 -0.177804  0.000000      2.000000
 -0.097989  0.218214  0.000000      2.000000
  0.139984 -0.210132  0.000000      2.000000
 -0.125986  0.185886  0.000000      2.000000
  0.125986 -0.218214  0.000000      2.000000
 -0.097989  0.202050  0.000000      2.000000
 -0.125986  0.202050  0.000000      2.000000
  0.111988 -0.210132  0.000000      2.000000
 -0.111988  0.193968  0.000000      2.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found    625 k-points in 1st BZ
 the following    625 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00160000   1 t-inv F
  0.040000  0.000000  0.000000    0.00160000   2 t-inv F
  0.040000  0.040000  0.000000    0.00160000   3 t-inv F
  0.000000  0.040000  0.000000    0.00160000   4 t-inv F
  0.080000  0.000000  0.000000    0.00160000   5 t-inv F
  0.080000  0.080000  0.000000    0.00160000   6 t-inv F
  0.000000  0.080000  0.000000    0.00160000   7 t-inv F
  0.120000  0.000000  0.000000    0.00160000   8 t-inv F
  0.120000  0.120000  0.000000    0.00160000   9 t-inv F
  0.000000  0.120000  0.000000    0.00160000  10 t-inv F
  0.160000  0.000000  0.000000    0.00160000  11 t-inv F
  0.160000  0.160000  0.000000    0.00160000  12 t-inv F
  0.000000  0.160000  0.000000    0.00160000  13 t-inv F
  0.200000  0.000000  0.000000    0.00160000  14 t-inv F
  0.200000  0.200000  0.000000    0.00160000  15 t-inv F
  0.000000  0.200000  0.000000    0.00160000  16 t-inv F
  0.240000  0.000000  0.000000    0.00160000  17 t-inv F
  0.240000  0.240000  0.000000    0.00160000  18 t-inv F
  0.000000  0.240000  0.000000    0.00160000  19 t-inv F
  0.280000  0.000000  0.000000    0.00160000  20 t-inv F
  0.280000  0.280000  0.000000    0.00160000  21 t-inv F
  0.000000  0.280000  0.000000    0.00160000  22 t-inv F
  0.320000  0.000000  0.000000    0.00160000  23 t-inv F
  0.320000  0.320000  0.000000    0.00160000  24 t-inv F
  0.000000  0.320000  0.000000    0.00160000  25 t-inv F
  0.360000  0.000000  0.000000    0.00160000  26 t-inv F
  0.360000  0.360000  0.000000    0.00160000  27 t-inv F
  0.000000  0.360000  0.000000    0.00160000  28 t-inv F
  0.400000  0.000000  0.000000    0.00160000  29 t-inv F
  0.400000  0.400000  0.000000    0.00160000  30 t-inv F
  0.000000  0.400000  0.000000    0.00160000  31 t-inv F
  0.440000  0.000000  0.000000    0.00160000  32 t-inv F
  0.440000  0.440000  0.000000    0.00160000  33 t-inv F
  0.000000  0.440000  0.000000    0.00160000  34 t-inv F
  0.480000  0.000000  0.000000    0.00160000  35 t-inv F
  0.480000  0.480000  0.000000    0.00160000  36 t-inv F
  0.000000  0.480000  0.000000    0.00160000  37 t-inv F
  0.080000  0.040000  0.000000    0.00160000  38 t-inv F
  0.040000  0.080000  0.000000    0.00160000  39 t-inv F
 -0.040000  0.040000  0.000000    0.00160000  40 t-inv F
  0.120000  0.040000  0.000000    0.00160000  41 t-inv F
  0.080000  0.120000  0.000000    0.00160000  42 t-inv F
 -0.040000  0.080000  0.000000    0.00160000  43 t-inv F
  0.080000 -0.040000  0.000000    0.00160000  44 t-inv F
 -0.040000 -0.120000  0.000000    0.00160000  45 t-inv F
 -0.120000 -0.080000  0.000000    0.00160000  46 t-inv F
  0.160000  0.040000  0.000000    0.00160000  47 t-inv F
  0.120000  0.160000  0.000000    0.00160000  48 t-inv F
 -0.040000  0.120000  0.000000    0.00160000  49 t-inv F
  0.120000 -0.040000  0.000000    0.00160000  50 t-inv F
 -0.040000 -0.160000  0.000000    0.00160000  51 t-inv F
 -0.160000 -0.120000  0.000000    0.00160000  52 t-inv F
  0.200000  0.040000  0.000000    0.00160000  53 t-inv F
  0.160000  0.200000  0.000000    0.00160000  54 t-inv F
 -0.040000  0.160000  0.000000    0.00160000  55 t-inv F
  0.160000 -0.040000  0.000000    0.00160000  56 t-inv F
 -0.040000 -0.200000  0.000000    0.00160000  57 t-inv F
 -0.200000 -0.160000  0.000000    0.00160000  58 t-inv F
  0.240000  0.040000  0.000000    0.00160000  59 t-inv F
  0.200000  0.240000  0.000000    0.00160000  60 t-inv F
 -0.040000  0.200000  0.000000    0.00160000  61 t-inv F
  0.200000 -0.040000  0.000000    0.00160000  62 t-inv F
 -0.040000 -0.240000  0.000000    0.00160000  63 t-inv F
 -0.240000 -0.200000  0.000000    0.00160000  64 t-inv F
  0.280000  0.040000  0.000000    0.00160000  65 t-inv F
  0.240000  0.280000  0.000000    0.00160000  66 t-inv F
 -0.040000  0.240000  0.000000    0.00160000  67 t-inv F
  0.240000 -0.040000  0.000000    0.00160000  68 t-inv F
 -0.040000 -0.280000  0.000000    0.00160000  69 t-inv F
 -0.280000 -0.240000  0.000000    0.00160000  70 t-inv F
  0.320000  0.040000  0.000000    0.00160000  71 t-inv F
  0.280000  0.320000  0.000000    0.00160000  72 t-inv F
 -0.040000  0.280000  0.000000    0.00160000  73 t-inv F
  0.280000 -0.040000  0.000000    0.00160000  74 t-inv F
 -0.040000 -0.320000  0.000000    0.00160000  75 t-inv F
 -0.320000 -0.280000  0.000000    0.00160000  76 t-inv F
  0.360000  0.040000  0.000000    0.00160000  77 t-inv F
  0.320000  0.360000  0.000000    0.00160000  78 t-inv F
 -0.040000  0.320000  0.000000    0.00160000  79 t-inv F
  0.320000 -0.040000  0.000000    0.00160000  80 t-inv F
 -0.040000 -0.360000  0.000000    0.00160000  81 t-inv F
 -0.360000 -0.320000  0.000000    0.00160000  82 t-inv F
  0.400000  0.040000  0.000000    0.00160000  83 t-inv F
  0.360000  0.400000  0.000000    0.00160000  84 t-inv F
 -0.040000  0.360000  0.000000    0.00160000  85 t-inv F
  0.360000 -0.040000  0.000000    0.00160000  86 t-inv F
 -0.040000 -0.400000  0.000000    0.00160000  87 t-inv F
 -0.400000 -0.360000  0.000000    0.00160000  88 t-inv F
  0.440000  0.040000  0.000000    0.00160000  89 t-inv F
  0.400000  0.440000  0.000000    0.00160000  90 t-inv F
 -0.040000  0.400000  0.000000    0.00160000  91 t-inv F
  0.400000 -0.040000  0.000000    0.00160000  92 t-inv F
 -0.040000 -0.440000  0.000000    0.00160000  93 t-inv F
 -0.440000 -0.400000  0.000000    0.00160000  94 t-inv F
  0.480000  0.040000  0.000000    0.00160000  95 t-inv F
  0.440000  0.480000  0.000000    0.00160000  96 t-inv F
 -0.040000  0.440000  0.000000    0.00160000  97 t-inv F
  0.440000 -0.040000  0.000000    0.00160000  98 t-inv F
 -0.040000 -0.480000  0.000000    0.00160000  99 t-inv F
 -0.480000 -0.440000  0.000000    0.00160000 100 t-inv F
 -0.480000  0.040000  0.000000    0.00160000 101 t-inv F
  0.480000 -0.480000  0.000000    0.00160000 102 t-inv F
 -0.040000  0.480000  0.000000    0.00160000 103 t-inv F
  0.160000  0.080000  0.000000    0.00160000 104 t-inv F
  0.080000  0.160000  0.000000    0.00160000 105 t-inv F
 -0.080000  0.080000  0.000000    0.00160000 106 t-inv F
  0.200000  0.080000  0.000000    0.00160000 107 t-inv F
  0.120000  0.200000  0.000000    0.00160000 108 t-inv F
 -0.080000  0.120000  0.000000    0.00160000 109 t-inv F
  0.120000 -0.080000  0.000000    0.00160000 110 t-inv F
 -0.080000 -0.200000  0.000000    0.00160000 111 t-inv F
 -0.200000 -0.120000  0.000000    0.00160000 112 t-inv F
  0.240000  0.080000  0.000000    0.00160000 113 t-inv F
  0.160000  0.240000  0.000000    0.00160000 114 t-inv F
 -0.080000  0.160000  0.000000    0.00160000 115 t-inv F
  0.160000 -0.080000  0.000000    0.00160000 116 t-inv F
 -0.080000 -0.240000  0.000000    0.00160000 117 t-inv F
 -0.240000 -0.160000  0.000000    0.00160000 118 t-inv F
  0.280000  0.080000  0.000000    0.00160000 119 t-inv F
  0.200000  0.280000  0.000000    0.00160000 120 t-inv F
 -0.080000  0.200000  0.000000    0.00160000 121 t-inv F
  0.200000 -0.080000  0.000000    0.00160000 122 t-inv F
 -0.080000 -0.280000  0.000000    0.00160000 123 t-inv F
 -0.280000 -0.200000  0.000000    0.00160000 124 t-inv F
  0.320000  0.080000  0.000000    0.00160000 125 t-inv F
  0.240000  0.320000  0.000000    0.00160000 126 t-inv F
 -0.080000  0.240000  0.000000    0.00160000 127 t-inv F
  0.240000 -0.080000  0.000000    0.00160000 128 t-inv F
 -0.080000 -0.320000  0.000000    0.00160000 129 t-inv F
 -0.320000 -0.240000  0.000000    0.00160000 130 t-inv F
  0.360000  0.080000  0.000000    0.00160000 131 t-inv F
  0.280000  0.360000  0.000000    0.00160000 132 t-inv F
 -0.080000  0.280000  0.000000    0.00160000 133 t-inv F
  0.280000 -0.080000  0.000000    0.00160000 134 t-inv F
 -0.080000 -0.360000  0.000000    0.00160000 135 t-inv F
 -0.360000 -0.280000  0.000000    0.00160000 136 t-inv F
  0.400000  0.080000  0.000000    0.00160000 137 t-inv F
  0.320000  0.400000  0.000000    0.00160000 138 t-inv F
 -0.080000  0.320000  0.000000    0.00160000 139 t-inv F
  0.320000 -0.080000  0.000000    0.00160000 140 t-inv F
 -0.080000 -0.400000  0.000000    0.00160000 141 t-inv F
 -0.400000 -0.320000  0.000000    0.00160000 142 t-inv F
  0.440000  0.080000  0.000000    0.00160000 143 t-inv F
  0.360000  0.440000  0.000000    0.00160000 144 t-inv F
 -0.080000  0.360000  0.000000    0.00160000 145 t-inv F
  0.360000 -0.080000  0.000000    0.00160000 146 t-inv F
 -0.080000 -0.440000  0.000000    0.00160000 147 t-inv F
 -0.440000 -0.360000  0.000000    0.00160000 148 t-inv F
  0.480000  0.080000  0.000000    0.00160000 149 t-inv F
  0.400000  0.480000  0.000000    0.00160000 150 t-inv F
 -0.080000  0.400000  0.000000    0.00160000 151 t-inv F
  0.400000 -0.080000  0.000000    0.00160000 152 t-inv F
 -0.080000 -0.480000  0.000000    0.00160000 153 t-inv F
 -0.480000 -0.400000  0.000000    0.00160000 154 t-inv F
 -0.480000  0.080000  0.000000    0.00160000 155 t-inv F
  0.440000 -0.480000  0.000000    0.00160000 156 t-inv F
 -0.080000  0.440000  0.000000    0.00160000 157 t-inv F
  0.440000 -0.080000  0.000000    0.00160000 158 t-inv F
 -0.080000  0.480000  0.000000    0.00160000 159 t-inv F
  0.480000 -0.440000  0.000000    0.00160000 160 t-inv F
  0.240000  0.120000  0.000000    0.00160000 161 t-inv F
  0.120000  0.240000  0.000000    0.00160000 162 t-inv F
 -0.120000  0.120000  0.000000    0.00160000 163 t-inv F
  0.280000  0.120000  0.000000    0.00160000 164 t-inv F
  0.160000  0.280000  0.000000    0.00160000 165 t-inv F
 -0.120000  0.160000  0.000000    0.00160000 166 t-inv F
  0.160000 -0.120000  0.000000    0.00160000 167 t-inv F
 -0.120000 -0.280000  0.000000    0.00160000 168 t-inv F
 -0.280000 -0.160000  0.000000    0.00160000 169 t-inv F
  0.320000  0.120000  0.000000    0.00160000 170 t-inv F
  0.200000  0.320000  0.000000    0.00160000 171 t-inv F
 -0.120000  0.200000  0.000000    0.00160000 172 t-inv F
  0.200000 -0.120000  0.000000    0.00160000 173 t-inv F
 -0.120000 -0.320000  0.000000    0.00160000 174 t-inv F
 -0.320000 -0.200000  0.000000    0.00160000 175 t-inv F
  0.360000  0.120000  0.000000    0.00160000 176 t-inv F
  0.240000  0.360000  0.000000    0.00160000 177 t-inv F
 -0.120000  0.240000  0.000000    0.00160000 178 t-inv F
  0.240000 -0.120000  0.000000    0.00160000 179 t-inv F
 -0.120000 -0.360000  0.000000    0.00160000 180 t-inv F
 -0.360000 -0.240000  0.000000    0.00160000 181 t-inv F
  0.400000  0.120000  0.000000    0.00160000 182 t-inv F
  0.280000  0.400000  0.000000    0.00160000 183 t-inv F
 -0.120000  0.280000  0.000000    0.00160000 184 t-inv F
  0.280000 -0.120000  0.000000    0.00160000 185 t-inv F
 -0.120000 -0.400000  0.000000    0.00160000 186 t-inv F
 -0.400000 -0.280000  0.000000    0.00160000 187 t-inv F
  0.440000  0.120000  0.000000    0.00160000 188 t-inv F
  0.320000  0.440000  0.000000    0.00160000 189 t-inv F
 -0.120000  0.320000  0.000000    0.00160000 190 t-inv F
  0.320000 -0.120000  0.000000    0.00160000 191 t-inv F
 -0.120000 -0.440000  0.000000    0.00160000 192 t-inv F
 -0.440000 -0.320000  0.000000    0.00160000 193 t-inv F
  0.480000  0.120000  0.000000    0.00160000 194 t-inv F
  0.360000  0.480000  0.000000    0.00160000 195 t-inv F
 -0.120000  0.360000  0.000000    0.00160000 196 t-inv F
  0.360000 -0.120000  0.000000    0.00160000 197 t-inv F
 -0.120000 -0.480000  0.000000    0.00160000 198 t-inv F
 -0.480000 -0.360000  0.000000    0.00160000 199 t-inv F
 -0.480000  0.120000  0.000000    0.00160000 200 t-inv F
  0.400000 -0.480000  0.000000    0.00160000 201 t-inv F
 -0.120000  0.400000  0.000000    0.00160000 202 t-inv F
  0.400000 -0.120000  0.000000    0.00160000 203 t-inv F
 -0.120000  0.480000  0.000000    0.00160000 204 t-inv F
  0.480000 -0.400000  0.000000    0.00160000 205 t-inv F
 -0.440000  0.120000  0.000000    0.00160000 206 t-inv F
  0.440000 -0.440000  0.000000    0.00160000 207 t-inv F
 -0.120000  0.440000  0.000000    0.00160000 208 t-inv F
  0.320000  0.160000  0.000000    0.00160000 209 t-inv F
  0.160000  0.320000  0.000000    0.00160000 210 t-inv F
 -0.160000  0.160000  0.000000    0.00160000 211 t-inv F
  0.360000  0.160000  0.000000    0.00160000 212 t-inv F
  0.200000  0.360000  0.000000    0.00160000 213 t-inv F
 -0.160000  0.200000  0.000000    0.00160000 214 t-inv F
  0.200000 -0.160000  0.000000    0.00160000 215 t-inv F
 -0.160000 -0.360000  0.000000    0.00160000 216 t-inv F
 -0.360000 -0.200000  0.000000    0.00160000 217 t-inv F
  0.400000  0.160000  0.000000    0.00160000 218 t-inv F
  0.240000  0.400000  0.000000    0.00160000 219 t-inv F
 -0.160000  0.240000  0.000000    0.00160000 220 t-inv F
  0.240000 -0.160000  0.000000    0.00160000 221 t-inv F
 -0.160000 -0.400000  0.000000    0.00160000 222 t-inv F
 -0.400000 -0.240000  0.000000    0.00160000 223 t-inv F
  0.440000  0.160000  0.000000    0.00160000 224 t-inv F
  0.280000  0.440000  0.000000    0.00160000 225 t-inv F
 -0.160000  0.280000  0.000000    0.00160000 226 t-inv F
  0.280000 -0.160000  0.000000    0.00160000 227 t-inv F
 -0.160000 -0.440000  0.000000    0.00160000 228 t-inv F
 -0.440000 -0.280000  0.000000    0.00160000 229 t-inv F
  0.480000  0.160000  0.000000    0.00160000 230 t-inv F
  0.320000  0.480000  0.000000    0.00160000 231 t-inv F
 -0.160000  0.320000  0.000000    0.00160000 232 t-inv F
  0.320000 -0.160000  0.000000    0.00160000 233 t-inv F
 -0.160000 -0.480000  0.000000    0.00160000 234 t-inv F
 -0.480000 -0.320000  0.000000    0.00160000 235 t-inv F
 -0.480000  0.160000  0.000000    0.00160000 236 t-inv F
  0.360000 -0.480000  0.000000    0.00160000 237 t-inv F
 -0.160000  0.360000  0.000000    0.00160000 238 t-inv F
  0.360000 -0.160000  0.000000    0.00160000 239 t-inv F
 -0.160000  0.480000  0.000000    0.00160000 240 t-inv F
  0.480000 -0.360000  0.000000    0.00160000 241 t-inv F
 -0.440000  0.160000  0.000000    0.00160000 242 t-inv F
  0.400000 -0.440000  0.000000    0.00160000 243 t-inv F
 -0.160000  0.400000  0.000000    0.00160000 244 t-inv F
  0.400000 -0.160000  0.000000    0.00160000 245 t-inv F
 -0.160000  0.440000  0.000000    0.00160000 246 t-inv F
  0.440000 -0.400000  0.000000    0.00160000 247 t-inv F
  0.400000  0.200000  0.000000    0.00160000 248 t-inv F
  0.200000  0.400000  0.000000    0.00160000 249 t-inv F
 -0.200000  0.200000  0.000000    0.00160000 250 t-inv F
  0.440000  0.200000  0.000000    0.00160000 251 t-inv F
  0.240000  0.440000  0.000000    0.00160000 252 t-inv F
 -0.200000  0.240000  0.000000    0.00160000 253 t-inv F
  0.240000 -0.200000  0.000000    0.00160000 254 t-inv F
 -0.200000 -0.440000  0.000000    0.00160000 255 t-inv F
 -0.440000 -0.240000  0.000000    0.00160000 256 t-inv F
  0.480000  0.200000  0.000000    0.00160000 257 t-inv F
  0.280000  0.480000  0.000000    0.00160000 258 t-inv F
 -0.200000  0.280000  0.000000    0.00160000 259 t-inv F
  0.280000 -0.200000  0.000000    0.00160000 260 t-inv F
 -0.200000 -0.480000  0.000000    0.00160000 261 t-inv F
 -0.480000 -0.280000  0.000000    0.00160000 262 t-inv F
 -0.480000  0.200000  0.000000    0.00160000 263 t-inv F
  0.320000 -0.480000  0.000000    0.00160000 264 t-inv F
 -0.200000  0.320000  0.000000    0.00160000 265 t-inv F
  0.320000 -0.200000  0.000000    0.00160000 266 t-inv F
 -0.200000  0.480000  0.000000    0.00160000 267 t-inv F
  0.480000 -0.320000  0.000000    0.00160000 268 t-inv F
 -0.440000  0.200000  0.000000    0.00160000 269 t-inv F
  0.360000 -0.440000  0.000000    0.00160000 270 t-inv F
 -0.200000  0.360000  0.000000    0.00160000 271 t-inv F
  0.360000 -0.200000  0.000000    0.00160000 272 t-inv F
 -0.200000  0.440000  0.000000    0.00160000 273 t-inv F
  0.440000 -0.360000  0.000000    0.00160000 274 t-inv F
 -0.400000  0.200000  0.000000    0.00160000 275 t-inv F
  0.400000 -0.400000  0.000000    0.00160000 276 t-inv F
 -0.200000  0.400000  0.000000    0.00160000 277 t-inv F
  0.480000  0.240000  0.000000    0.00160000 278 t-inv F
  0.240000  0.480000  0.000000    0.00160000 279 t-inv F
 -0.240000  0.240000  0.000000    0.00160000 280 t-inv F
 -0.480000  0.240000  0.000000    0.00160000 281 t-inv F
  0.280000 -0.480000  0.000000    0.00160000 282 t-inv F
 -0.240000  0.280000  0.000000    0.00160000 283 t-inv F
  0.280000 -0.240000  0.000000    0.00160000 284 t-inv F
 -0.240000  0.480000  0.000000    0.00160000 285 t-inv F
  0.480000 -0.280000  0.000000    0.00160000 286 t-inv F
 -0.440000  0.240000  0.000000    0.00160000 287 t-inv F
  0.320000 -0.440000  0.000000    0.00160000 288 t-inv F
 -0.240000  0.320000  0.000000    0.00160000 289 t-inv F
  0.320000 -0.240000  0.000000    0.00160000 290 t-inv F
 -0.240000  0.440000  0.000000    0.00160000 291 t-inv F
  0.440000 -0.320000  0.000000    0.00160000 292 t-inv F
 -0.400000  0.240000  0.000000    0.00160000 293 t-inv F
  0.360000 -0.400000  0.000000    0.00160000 294 t-inv F
 -0.240000  0.360000  0.000000    0.00160000 295 t-inv F
  0.360000 -0.240000  0.000000    0.00160000 296 t-inv F
 -0.240000  0.400000  0.000000    0.00160000 297 t-inv F
  0.400000 -0.360000  0.000000    0.00160000 298 t-inv F
 -0.440000  0.280000  0.000000    0.00160000 299 t-inv F
  0.280000 -0.440000  0.000000    0.00160000 300 t-inv F
 -0.280000  0.280000  0.000000    0.00160000 301 t-inv F
 -0.400000  0.280000  0.000000    0.00160000 302 t-inv F
  0.320000 -0.400000  0.000000    0.00160000 303 t-inv F
 -0.280000  0.320000  0.000000    0.00160000 304 t-inv F
  0.320000 -0.280000  0.000000    0.00160000 305 t-inv F
 -0.280000  0.400000  0.000000    0.00160000 306 t-inv F
  0.400000 -0.320000  0.000000    0.00160000 307 t-inv F
 -0.360000  0.280000  0.000000    0.00160000 308 t-inv F
  0.360000 -0.360000  0.000000    0.00160000 309 t-inv F
 -0.280000  0.360000  0.000000    0.00160000 310 t-inv F
 -0.360000  0.320000  0.000000    0.00160000 311 t-inv F
  0.320000 -0.360000  0.000000    0.00160000 312 t-inv F
 -0.320000  0.320000  0.000000    0.00160000 313 t-inv F
 -0.040000 -0.000000  0.000000    0.00160000   2 t-inv T
 -0.040000 -0.040000  0.000000    0.00160000   3 t-inv T
  0.000000 -0.040000  0.000000    0.00160000   4 t-inv T
 -0.080000 -0.000000  0.000000    0.00160000   5 t-inv T
 -0.080000 -0.080000  0.000000    0.00160000   6 t-inv T
  0.000000 -0.080000  0.000000    0.00160000   7 t-inv T
 -0.120000 -0.000000  0.000000    0.00160000   8 t-inv T
 -0.120000 -0.120000  0.000000    0.00160000   9 t-inv T
  0.000000 -0.120000  0.000000    0.00160000  10 t-inv T
 -0.160000 -0.000000  0.000000    0.00160000  11 t-inv T
 -0.160000 -0.160000  0.000000    0.00160000  12 t-inv T
  0.000000 -0.160000  0.000000    0.00160000  13 t-inv T
 -0.200000  0.000000  0.000000    0.00160000  14 t-inv T
 -0.200000 -0.200000  0.000000    0.00160000  15 t-inv T
  0.000000 -0.200000  0.000000    0.00160000  16 t-inv T
 -0.240000 -0.000000  0.000000    0.00160000  17 t-inv T
 -0.240000 -0.240000  0.000000    0.00160000  18 t-inv T
  0.000000 -0.240000  0.000000    0.00160000  19 t-inv T
 -0.280000 -0.000000  0.000000    0.00160000  20 t-inv T
 -0.280000 -0.280000  0.000000    0.00160000  21 t-inv T
  0.000000 -0.280000  0.000000    0.00160000  22 t-inv T
 -0.320000  0.000000  0.000000    0.00160000  23 t-inv T
 -0.320000 -0.320000  0.000000    0.00160000  24 t-inv T
  0.000000 -0.320000  0.000000    0.00160000  25 t-inv T
 -0.360000  0.000000  0.000000    0.00160000  26 t-inv T
 -0.360000 -0.360000  0.000000    0.00160000  27 t-inv T
  0.000000 -0.360000  0.000000    0.00160000  28 t-inv T
 -0.400000 -0.000000  0.000000    0.00160000  29 t-inv T
 -0.400000 -0.400000  0.000000    0.00160000  30 t-inv T
  0.000000 -0.400000  0.000000    0.00160000  31 t-inv T
 -0.440000 -0.000000  0.000000    0.00160000  32 t-inv T
 -0.440000 -0.440000  0.000000    0.00160000  33 t-inv T
  0.000000 -0.440000  0.000000    0.00160000  34 t-inv T
 -0.480000 -0.000000  0.000000    0.00160000  35 t-inv T
 -0.480000 -0.480000  0.000000    0.00160000  36 t-inv T
  0.000000 -0.480000  0.000000    0.00160000  37 t-inv T
 -0.080000 -0.040000  0.000000    0.00160000  38 t-inv T
 -0.040000 -0.080000  0.000000    0.00160000  39 t-inv T
  0.040000 -0.040000  0.000000    0.00160000  40 t-inv T
 -0.120000 -0.040000  0.000000    0.00160000  41 t-inv T
 -0.080000 -0.120000  0.000000    0.00160000  42 t-inv T
  0.040000 -0.080000  0.000000    0.00160000  43 t-inv T
 -0.080000  0.040000  0.000000    0.00160000  44 t-inv T
  0.040000  0.120000  0.000000    0.00160000  45 t-inv T
  0.120000  0.080000  0.000000    0.00160000  46 t-inv T
 -0.160000 -0.040000  0.000000    0.00160000  47 t-inv T
 -0.120000 -0.160000  0.000000    0.00160000  48 t-inv T
  0.040000 -0.120000  0.000000    0.00160000  49 t-inv T
 -0.120000  0.040000  0.000000    0.00160000  50 t-inv T
  0.040000  0.160000  0.000000    0.00160000  51 t-inv T
  0.160000  0.120000  0.000000    0.00160000  52 t-inv T
 -0.200000 -0.040000  0.000000    0.00160000  53 t-inv T
 -0.160000 -0.200000  0.000000    0.00160000  54 t-inv T
  0.040000 -0.160000  0.000000    0.00160000  55 t-inv T
 -0.160000  0.040000  0.000000    0.00160000  56 t-inv T
  0.040000  0.200000  0.000000    0.00160000  57 t-inv T
  0.200000  0.160000  0.000000    0.00160000  58 t-inv T
 -0.240000 -0.040000  0.000000    0.00160000  59 t-inv T
 -0.200000 -0.240000  0.000000    0.00160000  60 t-inv T
  0.040000 -0.200000  0.000000    0.00160000  61 t-inv T
 -0.200000  0.040000  0.000000    0.00160000  62 t-inv T
  0.040000  0.240000  0.000000    0.00160000  63 t-inv T
  0.240000  0.200000  0.000000    0.00160000  64 t-inv T
 -0.280000 -0.040000  0.000000    0.00160000  65 t-inv T
 -0.240000 -0.280000  0.000000    0.00160000  66 t-inv T
  0.040000 -0.240000  0.000000    0.00160000  67 t-inv T
 -0.240000  0.040000  0.000000    0.00160000  68 t-inv T
  0.040000  0.280000  0.000000    0.00160000  69 t-inv T
  0.280000  0.240000  0.000000    0.00160000  70 t-inv T
 -0.320000 -0.040000  0.000000    0.00160000  71 t-inv T
 -0.280000 -0.320000  0.000000    0.00160000  72 t-inv T
  0.040000 -0.280000  0.000000    0.00160000  73 t-inv T
 -0.280000  0.040000  0.000000    0.00160000  74 t-inv T
  0.040000  0.320000  0.000000    0.00160000  75 t-inv T
  0.320000  0.280000  0.000000    0.00160000  76 t-inv T
 -0.360000 -0.040000  0.000000    0.00160000  77 t-inv T
 -0.320000 -0.360000  0.000000    0.00160000  78 t-inv T
  0.040000 -0.320000  0.000000    0.00160000  79 t-inv T
 -0.320000  0.040000  0.000000    0.00160000  80 t-inv T
  0.040000  0.360000  0.000000    0.00160000  81 t-inv T
  0.360000  0.320000  0.000000    0.00160000  82 t-inv T
 -0.400000 -0.040000  0.000000    0.00160000  83 t-inv T
 -0.360000 -0.400000  0.000000    0.00160000  84 t-inv T
  0.040000 -0.360000  0.000000    0.00160000  85 t-inv T
 -0.360000  0.040000  0.000000    0.00160000  86 t-inv T
  0.040000  0.400000  0.000000    0.00160000  87 t-inv T
  0.400000  0.360000  0.000000    0.00160000  88 t-inv T
 -0.440000 -0.040000  0.000000    0.00160000  89 t-inv T
 -0.400000 -0.440000  0.000000    0.00160000  90 t-inv T
  0.040000 -0.400000  0.000000    0.00160000  91 t-inv T
 -0.400000  0.040000  0.000000    0.00160000  92 t-inv T
  0.040000  0.440000  0.000000    0.00160000  93 t-inv T
  0.440000  0.400000  0.000000    0.00160000  94 t-inv T
 -0.480000 -0.040000  0.000000    0.00160000  95 t-inv T
 -0.440000 -0.480000  0.000000    0.00160000  96 t-inv T
  0.040000 -0.440000  0.000000    0.00160000  97 t-inv T
 -0.440000  0.040000  0.000000    0.00160000  98 t-inv T
  0.040000  0.480000  0.000000    0.00160000  99 t-inv T
  0.480000  0.440000  0.000000    0.00160000 100 t-inv T
  0.480000 -0.040000  0.000000    0.00160000 101 t-inv T
 -0.480000  0.480000  0.000000    0.00160000 102 t-inv T
  0.040000 -0.480000  0.000000    0.00160000 103 t-inv T
 -0.160000 -0.080000  0.000000    0.00160000 104 t-inv T
 -0.080000 -0.160000  0.000000    0.00160000 105 t-inv T
  0.080000 -0.080000  0.000000    0.00160000 106 t-inv T
 -0.200000 -0.080000  0.000000    0.00160000 107 t-inv T
 -0.120000 -0.200000  0.000000    0.00160000 108 t-inv T
  0.080000 -0.120000  0.000000    0.00160000 109 t-inv T
 -0.120000  0.080000  0.000000    0.00160000 110 t-inv T
  0.080000  0.200000  0.000000    0.00160000 111 t-inv T
  0.200000  0.120000  0.000000    0.00160000 112 t-inv T
 -0.240000 -0.080000  0.000000    0.00160000 113 t-inv T
 -0.160000 -0.240000  0.000000    0.00160000 114 t-inv T
  0.080000 -0.160000  0.000000    0.00160000 115 t-inv T
 -0.160000  0.080000  0.000000    0.00160000 116 t-inv T
  0.080000  0.240000  0.000000    0.00160000 117 t-inv T
  0.240000  0.160000  0.000000    0.00160000 118 t-inv T
 -0.280000 -0.080000  0.000000    0.00160000 119 t-inv T
 -0.200000 -0.280000  0.000000    0.00160000 120 t-inv T
  0.080000 -0.200000  0.000000    0.00160000 121 t-inv T
 -0.200000  0.080000  0.000000    0.00160000 122 t-inv T
  0.080000  0.280000  0.000000    0.00160000 123 t-inv T
  0.280000  0.200000  0.000000    0.00160000 124 t-inv T
 -0.320000 -0.080000  0.000000    0.00160000 125 t-inv T
 -0.240000 -0.320000  0.000000    0.00160000 126 t-inv T
  0.080000 -0.240000  0.000000    0.00160000 127 t-inv T
 -0.240000  0.080000  0.000000    0.00160000 128 t-inv T
  0.080000  0.320000  0.000000    0.00160000 129 t-inv T
  0.320000  0.240000  0.000000    0.00160000 130 t-inv T
 -0.360000 -0.080000  0.000000    0.00160000 131 t-inv T
 -0.280000 -0.360000  0.000000    0.00160000 132 t-inv T
  0.080000 -0.280000  0.000000    0.00160000 133 t-inv T
 -0.280000  0.080000  0.000000    0.00160000 134 t-inv T
  0.080000  0.360000  0.000000    0.00160000 135 t-inv T
  0.360000  0.280000  0.000000    0.00160000 136 t-inv T
 -0.400000 -0.080000  0.000000    0.00160000 137 t-inv T
 -0.320000 -0.400000  0.000000    0.00160000 138 t-inv T
  0.080000 -0.320000  0.000000    0.00160000 139 t-inv T
 -0.320000  0.080000  0.000000    0.00160000 140 t-inv T
  0.080000  0.400000  0.000000    0.00160000 141 t-inv T
  0.400000  0.320000  0.000000    0.00160000 142 t-inv T
 -0.440000 -0.080000  0.000000    0.00160000 143 t-inv T
 -0.360000 -0.440000  0.000000    0.00160000 144 t-inv T
  0.080000 -0.360000  0.000000    0.00160000 145 t-inv T
 -0.360000  0.080000  0.000000    0.00160000 146 t-inv T
  0.080000  0.440000  0.000000    0.00160000 147 t-inv T
  0.440000  0.360000  0.000000    0.00160000 148 t-inv T
 -0.480000 -0.080000  0.000000    0.00160000 149 t-inv T
 -0.400000 -0.480000  0.000000    0.00160000 150 t-inv T
  0.080000 -0.400000  0.000000    0.00160000 151 t-inv T
 -0.400000  0.080000  0.000000    0.00160000 152 t-inv T
  0.080000  0.480000  0.000000    0.00160000 153 t-inv T
  0.480000  0.400000  0.000000    0.00160000 154 t-inv T
  0.480000 -0.080000  0.000000    0.00160000 155 t-inv T
 -0.440000  0.480000  0.000000    0.00160000 156 t-inv T
  0.080000 -0.440000  0.000000    0.00160000 157 t-inv T
 -0.440000  0.080000  0.000000    0.00160000 158 t-inv T
  0.080000 -0.480000  0.000000    0.00160000 159 t-inv T
 -0.480000  0.440000  0.000000    0.00160000 160 t-inv T
 -0.240000 -0.120000  0.000000    0.00160000 161 t-inv T
 -0.120000 -0.240000  0.000000    0.00160000 162 t-inv T
  0.120000 -0.120000  0.000000    0.00160000 163 t-inv T
 -0.280000 -0.120000  0.000000    0.00160000 164 t-inv T
 -0.160000 -0.280000  0.000000    0.00160000 165 t-inv T
  0.120000 -0.160000  0.000000    0.00160000 166 t-inv T
 -0.160000  0.120000  0.000000    0.00160000 167 t-inv T
  0.120000  0.280000  0.000000    0.00160000 168 t-inv T
  0.280000  0.160000  0.000000    0.00160000 169 t-inv T
 -0.320000 -0.120000  0.000000    0.00160000 170 t-inv T
 -0.200000 -0.320000  0.000000    0.00160000 171 t-inv T
  0.120000 -0.200000  0.000000    0.00160000 172 t-inv T
 -0.200000  0.120000  0.000000    0.00160000 173 t-inv T
  0.120000  0.320000  0.000000    0.00160000 174 t-inv T
  0.320000  0.200000  0.000000    0.00160000 175 t-inv T
 -0.360000 -0.120000  0.000000    0.00160000 176 t-inv T
 -0.240000 -0.360000  0.000000    0.00160000 177 t-inv T
  0.120000 -0.240000  0.000000    0.00160000 178 t-inv T
 -0.240000  0.120000  0.000000    0.00160000 179 t-inv T
  0.120000  0.360000  0.000000    0.00160000 180 t-inv T
  0.360000  0.240000  0.000000    0.00160000 181 t-inv T
 -0.400000 -0.120000  0.000000    0.00160000 182 t-inv T
 -0.280000 -0.400000  0.000000    0.00160000 183 t-inv T
  0.120000 -0.280000  0.000000    0.00160000 184 t-inv T
 -0.280000  0.120000  0.000000    0.00160000 185 t-inv T
  0.120000  0.400000  0.000000    0.00160000 186 t-inv T
  0.400000  0.280000  0.000000    0.00160000 187 t-inv T
 -0.440000 -0.120000  0.000000    0.00160000 188 t-inv T
 -0.320000 -0.440000  0.000000    0.00160000 189 t-inv T
  0.120000 -0.320000  0.000000    0.00160000 190 t-inv T
 -0.320000  0.120000  0.000000    0.00160000 191 t-inv T
  0.120000  0.440000  0.000000    0.00160000 192 t-inv T
  0.440000  0.320000  0.000000    0.00160000 193 t-inv T
 -0.480000 -0.120000  0.000000    0.00160000 194 t-inv T
 -0.360000 -0.480000  0.000000    0.00160000 195 t-inv T
  0.120000 -0.360000  0.000000    0.00160000 196 t-inv T
 -0.360000  0.120000  0.000000    0.00160000 197 t-inv T
  0.120000  0.480000  0.000000    0.00160000 198 t-inv T
  0.480000  0.360000  0.000000    0.00160000 199 t-inv T
  0.480000 -0.120000  0.000000    0.00160000 200 t-inv T
 -0.400000  0.480000  0.000000    0.00160000 201 t-inv T
  0.120000 -0.400000  0.000000    0.00160000 202 t-inv T
 -0.400000  0.120000  0.000000    0.00160000 203 t-inv T
  0.120000 -0.480000  0.000000    0.00160000 204 t-inv T
 -0.480000  0.400000  0.000000    0.00160000 205 t-inv T
  0.440000 -0.120000  0.000000    0.00160000 206 t-inv T
 -0.440000  0.440000  0.000000    0.00160000 207 t-inv T
  0.120000 -0.440000  0.000000    0.00160000 208 t-inv T
 -0.320000 -0.160000  0.000000    0.00160000 209 t-inv T
 -0.160000 -0.320000  0.000000    0.00160000 210 t-inv T
  0.160000 -0.160000  0.000000    0.00160000 211 t-inv T
 -0.360000 -0.160000  0.000000    0.00160000 212 t-inv T
 -0.200000 -0.360000  0.000000    0.00160000 213 t-inv T
  0.160000 -0.200000  0.000000    0.00160000 214 t-inv T
 -0.200000  0.160000  0.000000    0.00160000 215 t-inv T
  0.160000  0.360000  0.000000    0.00160000 216 t-inv T
  0.360000  0.200000  0.000000    0.00160000 217 t-inv T
 -0.400000 -0.160000  0.000000    0.00160000 218 t-inv T
 -0.240000 -0.400000  0.000000    0.00160000 219 t-inv T
  0.160000 -0.240000  0.000000    0.00160000 220 t-inv T
 -0.240000  0.160000  0.000000    0.00160000 221 t-inv T
  0.160000  0.400000  0.000000    0.00160000 222 t-inv T
  0.400000  0.240000  0.000000    0.00160000 223 t-inv T
 -0.440000 -0.160000  0.000000    0.00160000 224 t-inv T
 -0.280000 -0.440000  0.000000    0.00160000 225 t-inv T
  0.160000 -0.280000  0.000000    0.00160000 226 t-inv T
 -0.280000  0.160000  0.000000    0.00160000 227 t-inv T
  0.160000  0.440000  0.000000    0.00160000 228 t-inv T
  0.440000  0.280000  0.000000    0.00160000 229 t-inv T
 -0.480000 -0.160000  0.000000    0.00160000 230 t-inv T
 -0.320000 -0.480000  0.000000    0.00160000 231 t-inv T
  0.160000 -0.320000  0.000000    0.00160000 232 t-inv T
 -0.320000  0.160000  0.000000    0.00160000 233 t-inv T
  0.160000  0.480000  0.000000    0.00160000 234 t-inv T
  0.480000  0.320000  0.000000    0.00160000 235 t-inv T
  0.480000 -0.160000  0.000000    0.00160000 236 t-inv T
 -0.360000  0.480000  0.000000    0.00160000 237 t-inv T
  0.160000 -0.360000  0.000000    0.00160000 238 t-inv T
 -0.360000  0.160000  0.000000    0.00160000 239 t-inv T
  0.160000 -0.480000  0.000000    0.00160000 240 t-inv T
 -0.480000  0.360000  0.000000    0.00160000 241 t-inv T
  0.440000 -0.160000  0.000000    0.00160000 242 t-inv T
 -0.400000  0.440000  0.000000    0.00160000 243 t-inv T
  0.160000 -0.400000  0.000000    0.00160000 244 t-inv T
 -0.400000  0.160000  0.000000    0.00160000 245 t-inv T
  0.160000 -0.440000  0.000000    0.00160000 246 t-inv T
 -0.440000  0.400000  0.000000    0.00160000 247 t-inv T
 -0.400000 -0.200000  0.000000    0.00160000 248 t-inv T
 -0.200000 -0.400000  0.000000    0.00160000 249 t-inv T
  0.200000 -0.200000  0.000000    0.00160000 250 t-inv T
 -0.440000 -0.200000  0.000000    0.00160000 251 t-inv T
 -0.240000 -0.440000  0.000000    0.00160000 252 t-inv T
  0.200000 -0.240000  0.000000    0.00160000 253 t-inv T
 -0.240000  0.200000  0.000000    0.00160000 254 t-inv T
  0.200000  0.440000  0.000000    0.00160000 255 t-inv T
  0.440000  0.240000  0.000000    0.00160000 256 t-inv T
 -0.480000 -0.200000  0.000000    0.00160000 257 t-inv T
 -0.280000 -0.480000  0.000000    0.00160000 258 t-inv T
  0.200000 -0.280000  0.000000    0.00160000 259 t-inv T
 -0.280000  0.200000  0.000000    0.00160000 260 t-inv T
  0.200000  0.480000  0.000000    0.00160000 261 t-inv T
  0.480000  0.280000  0.000000    0.00160000 262 t-inv T
  0.480000 -0.200000  0.000000    0.00160000 263 t-inv T
 -0.320000  0.480000  0.000000    0.00160000 264 t-inv T
  0.200000 -0.320000  0.000000    0.00160000 265 t-inv T
 -0.320000  0.200000  0.000000    0.00160000 266 t-inv T
  0.200000 -0.480000  0.000000    0.00160000 267 t-inv T
 -0.480000  0.320000  0.000000    0.00160000 268 t-inv T
  0.440000 -0.200000  0.000000    0.00160000 269 t-inv T
 -0.360000  0.440000  0.000000    0.00160000 270 t-inv T
  0.200000 -0.360000  0.000000    0.00160000 271 t-inv T
 -0.360000  0.200000  0.000000    0.00160000 272 t-inv T
  0.200000 -0.440000  0.000000    0.00160000 273 t-inv T
 -0.440000  0.360000  0.000000    0.00160000 274 t-inv T
  0.400000 -0.200000  0.000000    0.00160000 275 t-inv T
 -0.400000  0.400000  0.000000    0.00160000 276 t-inv T
  0.200000 -0.400000  0.000000    0.00160000 277 t-inv T
 -0.480000 -0.240000  0.000000    0.00160000 278 t-inv T
 -0.240000 -0.480000  0.000000    0.00160000 279 t-inv T
  0.240000 -0.240000  0.000000    0.00160000 280 t-inv T
  0.480000 -0.240000  0.000000    0.00160000 281 t-inv T
 -0.280000  0.480000  0.000000    0.00160000 282 t-inv T
  0.240000 -0.280000  0.000000    0.00160000 283 t-inv T
 -0.280000  0.240000  0.000000    0.00160000 284 t-inv T
  0.240000 -0.480000  0.000000    0.00160000 285 t-inv T
 -0.480000  0.280000  0.000000    0.00160000 286 t-inv T
  0.440000 -0.240000  0.000000    0.00160000 287 t-inv T
 -0.320000  0.440000  0.000000    0.00160000 288 t-inv T
  0.240000 -0.320000  0.000000    0.00160000 289 t-inv T
 -0.320000  0.240000  0.000000    0.00160000 290 t-inv T
  0.240000 -0.440000  0.000000    0.00160000 291 t-inv T
 -0.440000  0.320000  0.000000    0.00160000 292 t-inv T
  0.400000 -0.240000  0.000000    0.00160000 293 t-inv T
 -0.360000  0.400000  0.000000    0.00160000 294 t-inv T
  0.240000 -0.360000  0.000000    0.00160000 295 t-inv T
 -0.360000  0.240000  0.000000    0.00160000 296 t-inv T
  0.240000 -0.400000  0.000000    0.00160000 297 t-inv T
 -0.400000  0.360000  0.000000    0.00160000 298 t-inv T
  0.440000 -0.280000  0.000000    0.00160000 299 t-inv T
 -0.280000  0.440000  0.000000    0.00160000 300 t-inv T
  0.280000 -0.280000  0.000000    0.00160000 301 t-inv T
  0.400000 -0.280000  0.000000    0.00160000 302 t-inv T
 -0.320000  0.400000  0.000000    0.00160000 303 t-inv T
  0.280000 -0.320000  0.000000    0.00160000 304 t-inv T
 -0.320000  0.280000  0.000000    0.00160000 305 t-inv T
  0.280000 -0.400000  0.000000    0.00160000 306 t-inv T
 -0.400000  0.320000  0.000000    0.00160000 307 t-inv T
  0.360000 -0.280000  0.000000    0.00160000 308 t-inv T
 -0.360000  0.360000  0.000000    0.00160000 309 t-inv T
  0.280000 -0.360000  0.000000    0.00160000 310 t-inv T
  0.360000 -0.320000  0.000000    0.00160000 311 t-inv T
 -0.320000  0.360000  0.000000    0.00160000 312 t-inv T
  0.320000 -0.320000  0.000000    0.00160000 313 t-inv T


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




 Dimension of arrays:
   k-points           NKPTS =    313   k-points in BZ     NKDIM =    625   number of bands    NBANDS=     12
   number of dos      NEDOS =    301   number of ions     NIONS =      4
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  57600
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX= 115473
   dimension x,y,z NGX =    20 NGY =   20 NGZ =  144
   dimension x,y,z NGXF=    40 NGYF=   40 NGZF=  288
   support grid    NGXF=    80 NGYF=   80 NGZF=  576
   ions per type =               4
   NGX,Y,Z   is equivalent  to a cutoff of  11.64, 11.64, 10.88 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  23.27, 23.27, 21.76 a.u.

 SYSTEM =  Al Lattice Relaxation  HSE06-1/2x vdW-DF
 POSCAR =  Al                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   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  =      T    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.   4.66  4.66 35.88*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  291.1 eV  augmentation charge cutoff
   NELM   =    100;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-04   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   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   =    0.00000
 Ionic relaxation
   EDIFFG = -.5E-02   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      0    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      0    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    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 = 0.13E+47 mass=  -0.187E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  26.98
  Ionic Valenz
   ZVAL   =   3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      12.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     53    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   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;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.21E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.20     timestep for ELM

  volume/ion in A,a.u.               =      38.89       262.44
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.696897  1.316944  6.607878  0.485665
  Thomas-Fermi vector in A             =   1.780074
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    PE    GGA type
   LEXCH   =     8    internal setting for exchange type
   LIBXC   =     F    Libxc                    
   VOSKOWN =     0    Vosko Wilk Nusair interpolation
   EXXOEP  =     0    0=HF, 1=EXX-LHF (local Hartree Fock) 2=EXX OEP
   LHFCALC =     T    Hartree Fock is set to
   LSYMGRAD=     F    symmetrize gradient (conserves proper symmetry)
   PRECFOCK=normal    Normal, Fast or Accurate (Low or Medium for compatibility)
   LRHFCALC=     F    long range Hartree Fock
   LRSCOR  =     F    long range correlation only (use DFT for short range part)
   LTHOMAS =     F    Thomas Fermi screening in HF
   LMODELHF=     F    short range full HF, long range fraction AEXX
   FOCKCORR=     1    mode to apply convergence corrections
   LFOCKACE=     T    use Adeptively-Compressed-Exchange operator
   ENCUT4O =  -1.0   cutoff for four orbital integrals eV
   LMAXFOCK=     4    L truncation for augmentation on plane wave grid
   LMAXFOCKAE=  -1    L truncation for all-electron charge restoration on plane wave grid
   NMAXFOCKAE=   1    number of basis functions for all-electron charge restoration
   LFOCKAEDFT=     F  apply the AE augmentation even for DFT
   NKREDX  =     1    reduce k-point grid by
   NKREDY  =     1    reduce k-point grid by
   NKREDZ  =     1    reduce k-point grid by
   SHIFTRED=     F    shift reduced grid of Gamma
   HFKIDENT=     F    idential grid for each k-point
   ODDONLY =     F    use only odd q-grid points
   EVENONLY=     F    use only even q-grid points
   HFALPHA =   -1.0000 decay constant for conv. correction
   MCALPHA =    0.0000 extent of test-charge in conv. correction in multipole expansion
   AEXX    =    0.5000 exact exchange contribution
   HFSCREEN=    0.2000 screening length (either q_TF or 0.3 A-1)
   HFSCREENC=   0.2000 screening length for correlation (either q_TF or 0.3 A-1)
   HFRCUT  =    0.0000 spherical cutoff for potential kernel
   ALDAX   =    0.5000 LDA exchange part
   AGGAX   =    0.5000 GGA exchange part
   ALDAC   =    1.0000 LDA correlation
   AGGAC   =    0.0000 GGA correlation
   ENCUTFOCK=  -1.0 apply spherical cutoff to Coloumb kernel
   NBANDSGWLOW=     1    first orbital included in HF term
   NBLOCK_FOCK=    64    blocking factor in FOCK_ACC

 vdW DFT:
   LUSE_VDW   =     T    switch on vdW DFT
   Zab_VDW    =******    correlation parameter
   PARAM1     =0.1234
   PARAM2     =1.0000
   PARAM3     =0.0000
   -- rVV10 --
   BPARAM     = 6.3000
   CPARAM     = 0.0093

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
  Optional k-point grid parameters
   LKPOINTS_OPT  =     F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



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


 Static calculation
 charge density and potential will be updated during run
 spin polarized calculation
 Conjugate gradient for all bands (Freysoldt, et al. PRB 79, 241103 (2009))
 perform sub-space diagonalisation
    before 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            6
 reciprocal scheme for non local part
 use partial core corrections
 no Harris-corrections to forces 
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.002
   0.01399845 -0.00808201  0.00000000       0.003
   0.01399845  0.00808201  0.00000000       0.003
   0.00000000  0.01616401  0.00000000       0.003
   0.02799689 -0.01616401  0.00000000       0.003
   0.02799689  0.01616401  0.00000000       0.003
   0.00000000  0.03232803  0.00000000       0.003
   0.04199534 -0.02424602  0.00000000       0.003
   0.04199534  0.02424602  0.00000000       0.003
   0.00000000  0.04849204  0.00000000       0.003
   0.05599379 -0.03232803  0.00000000       0.003
   0.05599379  0.03232803  0.00000000       0.003
   0.00000000  0.06465606  0.00000000       0.003
   0.06999224 -0.04041004  0.00000000       0.003
   0.06999224  0.04041004  0.00000000       0.003
   0.00000000  0.08082007  0.00000000       0.003
   0.08399068 -0.04849204  0.00000000       0.003
   0.08399068  0.04849204  0.00000000       0.003
   0.00000000  0.09698409  0.00000000       0.003
   0.09798913 -0.05657405  0.00000000       0.003
   0.09798913  0.05657405  0.00000000       0.003
   0.00000000  0.11314810  0.00000000       0.003
   0.11198758 -0.06465606  0.00000000       0.003
   0.11198758  0.06465606  0.00000000       0.003
   0.00000000  0.12931212  0.00000000       0.003
   0.12598603 -0.07273807  0.00000000       0.003
   0.12598603  0.07273807  0.00000000       0.003
   0.00000000  0.14547613  0.00000000       0.003
   0.13998447 -0.08082007  0.00000000       0.003
   0.13998447  0.08082007  0.00000000       0.003
   0.00000000  0.16164015  0.00000000       0.003
   0.15398292 -0.08890208  0.00000000       0.003
   0.15398292  0.08890208  0.00000000       0.003
   0.00000000  0.17780416  0.00000000       0.003
   0.16798137 -0.09698409  0.00000000       0.003
   0.16798137  0.09698409  0.00000000       0.003
   0.00000000  0.19396818  0.00000000       0.003
   0.02799689  0.00000000  0.00000000       0.003
   0.01399845  0.02424602  0.00000000       0.003
  -0.01399845  0.02424602  0.00000000       0.003
   0.04199534 -0.00808201  0.00000000       0.003
   0.02799689  0.03232803  0.00000000       0.003
  -0.01399845  0.04041004  0.00000000       0.003
   0.02799689 -0.03232803  0.00000000       0.003
  -0.01399845 -0.04041004  0.00000000       0.003
  -0.04199534 -0.00808201  0.00000000       0.003
   0.05599379 -0.01616401  0.00000000       0.003
   0.04199534  0.04041004  0.00000000       0.003
  -0.01399845  0.05657405  0.00000000       0.003
   0.04199534 -0.04041004  0.00000000       0.003
  -0.01399845 -0.05657405  0.00000000       0.003
  -0.05599379 -0.01616401  0.00000000       0.003
   0.06999224 -0.02424602  0.00000000       0.003
   0.05599379  0.04849204  0.00000000       0.003
  -0.01399845  0.07273807  0.00000000       0.003
   0.05599379 -0.04849204  0.00000000       0.003
  -0.01399845 -0.07273807  0.00000000       0.003
  -0.06999224 -0.02424602  0.00000000       0.003
   0.08399068 -0.03232803  0.00000000       0.003
   0.06999224  0.05657405  0.00000000       0.003
  -0.01399845  0.08890208  0.00000000       0.003
   0.06999224 -0.05657405  0.00000000       0.003
  -0.01399845 -0.08890208  0.00000000       0.003
  -0.08399068 -0.03232803  0.00000000       0.003
   0.09798913 -0.04041004  0.00000000       0.003
   0.08399068  0.06465606  0.00000000       0.003
  -0.01399845  0.10506610  0.00000000       0.003
   0.08399068 -0.06465606  0.00000000       0.003
  -0.01399845 -0.10506610  0.00000000       0.003
  -0.09798913 -0.04041004  0.00000000       0.003
   0.11198758 -0.04849204  0.00000000       0.003
   0.09798913  0.07273807  0.00000000       0.003
  -0.01399845  0.12123011  0.00000000       0.003
   0.09798913 -0.07273807  0.00000000       0.003
  -0.01399845 -0.12123011  0.00000000       0.003
  -0.11198758 -0.04849204  0.00000000       0.003
   0.12598603 -0.05657405  0.00000000       0.003
   0.11198758  0.08082007  0.00000000       0.003
  -0.01399845  0.13739412  0.00000000       0.003
   0.11198758 -0.08082007  0.00000000       0.003
  -0.01399845 -0.13739412  0.00000000       0.003
  -0.12598603 -0.05657405  0.00000000       0.003
   0.13998447 -0.06465606  0.00000000       0.003
   0.12598603  0.08890208  0.00000000       0.003
  -0.01399845  0.15355814  0.00000000       0.003
   0.12598603 -0.08890208  0.00000000       0.003
  -0.01399845 -0.15355814  0.00000000       0.003
  -0.13998447 -0.06465606  0.00000000       0.003
   0.15398292 -0.07273807  0.00000000       0.003
   0.13998447  0.09698409  0.00000000       0.003
  -0.01399845  0.16972215  0.00000000       0.003
   0.13998447 -0.09698409  0.00000000       0.003
  -0.01399845 -0.16972215  0.00000000       0.003
  -0.15398292 -0.07273807  0.00000000       0.003
   0.16798137 -0.08082007  0.00000000       0.003
   0.15398292  0.10506610  0.00000000       0.003
  -0.01399845  0.18588617  0.00000000       0.003
   0.15398292 -0.10506610  0.00000000       0.003
  -0.01399845 -0.18588617  0.00000000       0.003
  -0.16798137 -0.08082007  0.00000000       0.003
  -0.16798137  0.11314810  0.00000000       0.003
   0.16798137 -0.29095226  0.00000000       0.003
  -0.01399845  0.20205018  0.00000000       0.003
   0.05599379  0.00000000  0.00000000       0.003
   0.02799689  0.04849204  0.00000000       0.003
  -0.02799689  0.04849204  0.00000000       0.003
   0.06999224 -0.00808201  0.00000000       0.003
   0.04199534  0.05657405  0.00000000       0.003
  -0.02799689  0.06465606  0.00000000       0.003
   0.04199534 -0.05657405  0.00000000       0.003
  -0.02799689 -0.06465606  0.00000000       0.003
  -0.06999224 -0.00808201  0.00000000       0.003
   0.08399068 -0.01616401  0.00000000       0.003
   0.05599379  0.06465606  0.00000000       0.003
  -0.02799689  0.08082007  0.00000000       0.003
   0.05599379 -0.06465606  0.00000000       0.003
  -0.02799689 -0.08082007  0.00000000       0.003
  -0.08399068 -0.01616401  0.00000000       0.003
   0.09798913 -0.02424602  0.00000000       0.003
   0.06999224  0.07273807  0.00000000       0.003
  -0.02799689  0.09698409  0.00000000       0.003
   0.06999224 -0.07273807  0.00000000       0.003
  -0.02799689 -0.09698409  0.00000000       0.003
  -0.09798913 -0.02424602  0.00000000       0.003
   0.11198758 -0.03232803  0.00000000       0.003
   0.08399068  0.08082007  0.00000000       0.003
  -0.02799689  0.11314810  0.00000000       0.003
   0.08399068 -0.08082007  0.00000000       0.003
  -0.02799689 -0.11314810  0.00000000       0.003
  -0.11198758 -0.03232803  0.00000000       0.003
   0.12598603 -0.04041004  0.00000000       0.003
   0.09798913  0.08890208  0.00000000       0.003
  -0.02799689  0.12931212  0.00000000       0.003
   0.09798913 -0.08890208  0.00000000       0.003
  -0.02799689 -0.12931212  0.00000000       0.003
  -0.12598603 -0.04041004  0.00000000       0.003
   0.13998447 -0.04849204  0.00000000       0.003
   0.11198758  0.09698409  0.00000000       0.003
  -0.02799689  0.14547613  0.00000000       0.003
   0.11198758 -0.09698409  0.00000000       0.003
  -0.02799689 -0.14547613  0.00000000       0.003
  -0.13998447 -0.04849204  0.00000000       0.003
   0.15398292 -0.05657405  0.00000000       0.003
   0.12598603  0.10506610  0.00000000       0.003
  -0.02799689  0.16164015  0.00000000       0.003
   0.12598603 -0.10506610  0.00000000       0.003
  -0.02799689 -0.16164015  0.00000000       0.003
  -0.15398292 -0.05657405  0.00000000       0.003
   0.16798137 -0.06465606  0.00000000       0.003
   0.13998447  0.11314810  0.00000000       0.003
  -0.02799689  0.17780416  0.00000000       0.003
   0.13998447 -0.11314810  0.00000000       0.003
  -0.02799689 -0.17780416  0.00000000       0.003
  -0.16798137 -0.06465606  0.00000000       0.003
  -0.16798137  0.12931212  0.00000000       0.003
   0.15398292 -0.28287026  0.00000000       0.003
  -0.02799689  0.19396818  0.00000000       0.003
   0.15398292 -0.12123011  0.00000000       0.003
  -0.02799689  0.21013219  0.00000000       0.003
   0.16798137 -0.27478825  0.00000000       0.003
   0.08399068 -0.00000000  0.00000000       0.003
   0.04199534  0.07273807  0.00000000       0.003
  -0.04199534  0.07273807  0.00000000       0.003
   0.09798913 -0.00808201  0.00000000       0.003
   0.05599379  0.08082007  0.00000000       0.003
  -0.04199534  0.08890208  0.00000000       0.003
   0.05599379 -0.08082007  0.00000000       0.003
  -0.04199534 -0.08890208  0.00000000       0.003
  -0.09798913 -0.00808201  0.00000000       0.003
   0.11198758 -0.01616401  0.00000000       0.003
   0.06999224  0.08890208  0.00000000       0.003
  -0.04199534  0.10506610  0.00000000       0.003
   0.06999224 -0.08890208  0.00000000       0.003
  -0.04199534 -0.10506610  0.00000000       0.003
  -0.11198758 -0.01616401  0.00000000       0.003
   0.12598603 -0.02424602  0.00000000       0.003
   0.08399068  0.09698409  0.00000000       0.003
  -0.04199534  0.12123011  0.00000000       0.003
   0.08399068 -0.09698409  0.00000000       0.003
  -0.04199534 -0.12123011  0.00000000       0.003
  -0.12598603 -0.02424602  0.00000000       0.003
   0.13998447 -0.03232803  0.00000000       0.003
   0.09798913  0.10506610  0.00000000       0.003
  -0.04199534  0.13739412  0.00000000       0.003
   0.09798913 -0.10506610  0.00000000       0.003
  -0.04199534 -0.13739412  0.00000000       0.003
  -0.13998447 -0.03232803  0.00000000       0.003
   0.15398292 -0.04041004  0.00000000       0.003
   0.11198758  0.11314810  0.00000000       0.003
  -0.04199534  0.15355814  0.00000000       0.003
   0.11198758 -0.11314810  0.00000000       0.003
  -0.04199534 -0.15355814  0.00000000       0.003
  -0.15398292 -0.04041004  0.00000000       0.003
   0.16798137 -0.04849204  0.00000000       0.003
   0.12598603  0.12123011  0.00000000       0.003
  -0.04199534  0.16972215  0.00000000       0.003
   0.12598603 -0.12123011  0.00000000       0.003
  -0.04199534 -0.16972215  0.00000000       0.003
  -0.16798137 -0.04849204  0.00000000       0.003
  -0.16798137  0.14547613  0.00000000       0.003
   0.13998447 -0.27478825  0.00000000       0.003
  -0.04199534  0.18588617  0.00000000       0.003
   0.13998447 -0.12931212  0.00000000       0.003
  -0.04199534  0.21821420  0.00000000       0.003
   0.16798137 -0.25862423  0.00000000       0.003
  -0.15398292  0.13739412  0.00000000       0.003
   0.15398292 -0.26670624  0.00000000       0.003
  -0.04199534  0.20205018  0.00000000       0.003
   0.11198758 -0.00000000  0.00000000       0.003
   0.05599379  0.09698409  0.00000000       0.003
  -0.05599379  0.09698409  0.00000000       0.003
   0.12598603 -0.00808201  0.00000000       0.003
   0.06999224  0.10506610  0.00000000       0.003
  -0.05599379  0.11314810  0.00000000       0.003
   0.06999224 -0.10506610  0.00000000       0.003
  -0.05599379 -0.11314810  0.00000000       0.003
  -0.12598603 -0.00808201  0.00000000       0.003
   0.13998447 -0.01616401  0.00000000       0.003
   0.08399068  0.11314810  0.00000000       0.003
  -0.05599379  0.12931212  0.00000000       0.003
   0.08399068 -0.11314810  0.00000000       0.003
  -0.05599379 -0.12931212  0.00000000       0.003
  -0.13998447 -0.01616401  0.00000000       0.003
   0.15398292 -0.02424602  0.00000000       0.003
   0.09798913  0.12123011  0.00000000       0.003
  -0.05599379  0.14547613  0.00000000       0.003
   0.09798913 -0.12123011  0.00000000       0.003
  -0.05599379 -0.14547613  0.00000000       0.003
  -0.15398292 -0.02424602  0.00000000       0.003
   0.16798137 -0.03232803  0.00000000       0.003
   0.11198758  0.12931212  0.00000000       0.003
  -0.05599379  0.16164015  0.00000000       0.003
   0.11198758 -0.12931212  0.00000000       0.003
  -0.05599379 -0.16164015  0.00000000       0.003
  -0.16798137 -0.03232803  0.00000000       0.003
  -0.16798137  0.16164015  0.00000000       0.003
   0.12598603 -0.26670624  0.00000000       0.003
  -0.05599379  0.17780416  0.00000000       0.003
   0.12598603 -0.13739412  0.00000000       0.003
  -0.05599379  0.22629620  0.00000000       0.003
   0.16798137 -0.24246022  0.00000000       0.003
  -0.15398292  0.15355814  0.00000000       0.003
   0.13998447 -0.25862423  0.00000000       0.003
  -0.05599379  0.19396818  0.00000000       0.003
   0.13998447 -0.14547613  0.00000000       0.003
  -0.05599379  0.21013219  0.00000000       0.003
   0.15398292 -0.25054223  0.00000000       0.003
   0.13998447  0.00000000  0.00000000       0.003
   0.06999224  0.12123011  0.00000000       0.003
  -0.06999224  0.12123011  0.00000000       0.003
   0.15398292 -0.00808201  0.00000000       0.003
   0.08399068  0.12931212  0.00000000       0.003
  -0.06999224  0.13739412  0.00000000       0.003
   0.08399068 -0.12931212  0.00000000       0.003
  -0.06999224 -0.13739412  0.00000000       0.003
  -0.15398292 -0.00808201  0.00000000       0.003
   0.16798137 -0.01616401  0.00000000       0.003
   0.09798913  0.13739412  0.00000000       0.003
  -0.06999224  0.15355814  0.00000000       0.003
   0.09798913 -0.13739412  0.00000000       0.003
  -0.06999224 -0.15355814  0.00000000       0.003
  -0.16798137 -0.01616401  0.00000000       0.003
  -0.16798137  0.17780416  0.00000000       0.003
   0.11198758 -0.25862423  0.00000000       0.003
  -0.06999224  0.16972215  0.00000000       0.003
   0.11198758 -0.14547613  0.00000000       0.003
  -0.06999224  0.23437821  0.00000000       0.003
   0.16798137 -0.22629620  0.00000000       0.003
  -0.15398292  0.16972215  0.00000000       0.003
   0.12598603 -0.25054223  0.00000000       0.003
  -0.06999224  0.18588617  0.00000000       0.003
   0.12598603 -0.15355814  0.00000000       0.003
  -0.06999224  0.21821420  0.00000000       0.003
   0.15398292 -0.23437821  0.00000000       0.003
  -0.13998447  0.16164015  0.00000000       0.003
   0.13998447 -0.24246022  0.00000000       0.003
  -0.06999224  0.20205018  0.00000000       0.003
   0.16798137  0.00000000  0.00000000       0.003
   0.08399068  0.14547613  0.00000000       0.003
  -0.08399068  0.14547613  0.00000000       0.003
  -0.16798137  0.19396818  0.00000000       0.003
   0.09798913 -0.25054223  0.00000000       0.003
  -0.08399068  0.16164015  0.00000000       0.003
   0.09798913 -0.15355814  0.00000000       0.003
  -0.08399068  0.24246022  0.00000000       0.003
   0.16798137 -0.21013219  0.00000000       0.003
  -0.15398292  0.18588617  0.00000000       0.003
   0.11198758 -0.24246022  0.00000000       0.003
  -0.08399068  0.17780416  0.00000000       0.003
   0.11198758 -0.16164015  0.00000000       0.003
  -0.08399068  0.22629620  0.00000000       0.003
   0.15398292 -0.21821420  0.00000000       0.003
  -0.13998447  0.17780416  0.00000000       0.003
   0.12598603 -0.23437821  0.00000000       0.003
  -0.08399068  0.19396818  0.00000000       0.003
   0.12598603 -0.16972215  0.00000000       0.003
  -0.08399068  0.21013219  0.00000000       0.003
   0.13998447 -0.22629620  0.00000000       0.003
  -0.15398292  0.20205018  0.00000000       0.003
   0.09798913 -0.23437821  0.00000000       0.003
  -0.09798913  0.16972215  0.00000000       0.003
  -0.13998447  0.19396818  0.00000000       0.003
   0.11198758 -0.22629620  0.00000000       0.003
  -0.09798913  0.18588617  0.00000000       0.003
   0.11198758 -0.17780416  0.00000000       0.003
  -0.09798913  0.21821420  0.00000000       0.003
   0.13998447 -0.21013219  0.00000000       0.003
  -0.12598603  0.18588617  0.00000000       0.003
   0.12598603 -0.21821420  0.00000000       0.003
  -0.09798913  0.20205018  0.00000000       0.003
  -0.12598603  0.20205018  0.00000000       0.003
   0.11198758 -0.21013219  0.00000000       0.003
  -0.11198758  0.19396818  0.00000000       0.003
 
 k-points in reciprocal lattice and weights: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.002
   0.04000000  0.00000000  0.00000000       0.003
   0.04000000  0.04000000  0.00000000       0.003
   0.00000000  0.04000000  0.00000000       0.003
   0.08000000  0.00000000  0.00000000       0.003
   0.08000000  0.08000000  0.00000000       0.003
   0.00000000  0.08000000  0.00000000       0.003
   0.12000000  0.00000000  0.00000000       0.003
   0.12000000  0.12000000  0.00000000       0.003
   0.00000000  0.12000000  0.00000000       0.003
   0.16000000  0.00000000  0.00000000       0.003
   0.16000000  0.16000000  0.00000000       0.003
   0.00000000  0.16000000  0.00000000       0.003
   0.20000000  0.00000000  0.00000000       0.003
   0.20000000  0.20000000  0.00000000       0.003
   0.00000000  0.20000000  0.00000000       0.003
   0.24000000  0.00000000  0.00000000       0.003
   0.24000000  0.24000000  0.00000000       0.003
   0.00000000  0.24000000  0.00000000       0.003
   0.28000000  0.00000000  0.00000000       0.003
   0.28000000  0.28000000  0.00000000       0.003
   0.00000000  0.28000000  0.00000000       0.003
   0.32000000  0.00000000  0.00000000       0.003
   0.32000000  0.32000000  0.00000000       0.003
   0.00000000  0.32000000  0.00000000       0.003
   0.36000000  0.00000000  0.00000000       0.003
   0.36000000  0.36000000  0.00000000       0.003
   0.00000000  0.36000000  0.00000000       0.003
   0.40000000  0.00000000  0.00000000       0.003
   0.40000000  0.40000000  0.00000000       0.003
   0.00000000  0.40000000  0.00000000       0.003
   0.44000000  0.00000000  0.00000000       0.003
   0.44000000  0.44000000  0.00000000       0.003
   0.00000000  0.44000000  0.00000000       0.003
   0.48000000  0.00000000  0.00000000       0.003
   0.48000000  0.48000000  0.00000000       0.003
   0.00000000  0.48000000  0.00000000       0.003
   0.08000000  0.04000000  0.00000000       0.003
   0.04000000  0.08000000  0.00000000       0.003
  -0.04000000  0.04000000  0.00000000       0.003
   0.12000000  0.04000000  0.00000000       0.003
   0.08000000  0.12000000  0.00000000       0.003
  -0.04000000  0.08000000  0.00000000       0.003
   0.08000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.12000000  0.00000000       0.003
  -0.12000000 -0.08000000  0.00000000       0.003
   0.16000000  0.04000000  0.00000000       0.003
   0.12000000  0.16000000  0.00000000       0.003
  -0.04000000  0.12000000  0.00000000       0.003
   0.12000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.16000000  0.00000000       0.003
  -0.16000000 -0.12000000  0.00000000       0.003
   0.20000000  0.04000000  0.00000000       0.003
   0.16000000  0.20000000  0.00000000       0.003
  -0.04000000  0.16000000  0.00000000       0.003
   0.16000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.20000000  0.00000000       0.003
  -0.20000000 -0.16000000  0.00000000       0.003
   0.24000000  0.04000000  0.00000000       0.003
   0.20000000  0.24000000  0.00000000       0.003
  -0.04000000  0.20000000  0.00000000       0.003
   0.20000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.24000000  0.00000000       0.003
  -0.24000000 -0.20000000  0.00000000       0.003
   0.28000000  0.04000000  0.00000000       0.003
   0.24000000  0.28000000  0.00000000       0.003
  -0.04000000  0.24000000  0.00000000       0.003
   0.24000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.28000000  0.00000000       0.003
  -0.28000000 -0.24000000  0.00000000       0.003
   0.32000000  0.04000000  0.00000000       0.003
   0.28000000  0.32000000  0.00000000       0.003
  -0.04000000  0.28000000  0.00000000       0.003
   0.28000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.32000000  0.00000000       0.003
  -0.32000000 -0.28000000  0.00000000       0.003
   0.36000000  0.04000000  0.00000000       0.003
   0.32000000  0.36000000  0.00000000       0.003
  -0.04000000  0.32000000  0.00000000       0.003
   0.32000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.36000000  0.00000000       0.003
  -0.36000000 -0.32000000  0.00000000       0.003
   0.40000000  0.04000000  0.00000000       0.003
   0.36000000  0.40000000  0.00000000       0.003
  -0.04000000  0.36000000  0.00000000       0.003
   0.36000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.40000000  0.00000000       0.003
  -0.40000000 -0.36000000  0.00000000       0.003
   0.44000000  0.04000000  0.00000000       0.003
   0.40000000  0.44000000  0.00000000       0.003
  -0.04000000  0.40000000  0.00000000       0.003
   0.40000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.44000000  0.00000000       0.003
  -0.44000000 -0.40000000  0.00000000       0.003
   0.48000000  0.04000000  0.00000000       0.003
   0.44000000  0.48000000  0.00000000       0.003
  -0.04000000  0.44000000  0.00000000       0.003
   0.44000000 -0.04000000  0.00000000       0.003
  -0.04000000 -0.48000000  0.00000000       0.003
  -0.48000000 -0.44000000  0.00000000       0.003
  -0.48000000  0.04000000  0.00000000       0.003
   0.48000000 -0.48000000  0.00000000       0.003
  -0.04000000  0.48000000  0.00000000       0.003
   0.16000000  0.08000000  0.00000000       0.003
   0.08000000  0.16000000  0.00000000       0.003
  -0.08000000  0.08000000  0.00000000       0.003
   0.20000000  0.08000000  0.00000000       0.003
   0.12000000  0.20000000  0.00000000       0.003
  -0.08000000  0.12000000  0.00000000       0.003
   0.12000000 -0.08000000  0.00000000       0.003
  -0.08000000 -0.20000000  0.00000000       0.003
  -0.20000000 -0.12000000  0.00000000       0.003
   0.24000000  0.08000000  0.00000000       0.003
   0.16000000  0.24000000  0.00000000       0.003
  -0.08000000  0.16000000  0.00000000       0.003
   0.16000000 -0.08000000  0.00000000       0.003
  -0.08000000 -0.24000000  0.00000000       0.003
  -0.24000000 -0.16000000  0.00000000       0.003
   0.28000000  0.08000000  0.00000000       0.003
   0.20000000  0.28000000  0.00000000       0.003
  -0.08000000  0.20000000  0.00000000       0.003
   0.20000000 -0.08000000  0.00000000       0.003
  -0.08000000 -0.28000000  0.00000000       0.003
  -0.28000000 -0.20000000  0.00000000       0.003
   0.32000000  0.08000000  0.00000000       0.003
   0.24000000  0.32000000  0.00000000       0.003
  -0.08000000  0.24000000  0.00000000       0.003
   0.24000000 -0.08000000  0.00000000       0.003
  -0.08000000 -0.32000000  0.00000000       0.003
  -0.32000000 -0.24000000  0.00000000       0.003
   0.36000000  0.08000000  0.00000000       0.003
   0.28000000  0.36000000  0.00000000       0.003
  -0.08000000  0.28000000  0.00000000       0.003
   0.28000000 -0.08000000  0.00000000       0.003
  -0.08000000 -0.36000000  0.00000000       0.003
  -0.36000000 -0.28000000  0.00000000       0.003
   0.40000000  0.08000000  0.00000000       0.003
   0.32000000  0.40000000  0.00000000       0.003
  -0.08000000  0.32000000  0.00000000       0.003
   0.32000000 -0.08000000  0.00000000       0.003
  -0.08000000 -0.40000000  0.00000000       0.003
  -0.40000000 -0.32000000  0.00000000       0.003
   0.44000000  0.08000000  0.00000000       0.003
   0.36000000  0.44000000  0.00000000       0.003
  -0.08000000  0.36000000  0.00000000       0.003
   0.36000000 -0.08000000  0.00000000       0.003
  -0.08000000 -0.44000000  0.00000000       0.003
  -0.44000000 -0.36000000  0.00000000       0.003
   0.48000000  0.08000000  0.00000000       0.003
   0.40000000  0.48000000  0.00000000       0.003
  -0.08000000  0.40000000  0.00000000       0.003
   0.40000000 -0.08000000  0.00000000       0.003
  -0.08000000 -0.48000000  0.00000000       0.003
  -0.48000000 -0.40000000  0.00000000       0.003
  -0.48000000  0.08000000  0.00000000       0.003
   0.44000000 -0.48000000  0.00000000       0.003
  -0.08000000  0.44000000  0.00000000       0.003
   0.44000000 -0.08000000  0.00000000       0.003
  -0.08000000  0.48000000  0.00000000       0.003
   0.48000000 -0.44000000  0.00000000       0.003
   0.24000000  0.12000000  0.00000000       0.003
   0.12000000  0.24000000  0.00000000       0.003
  -0.12000000  0.12000000  0.00000000       0.003
   0.28000000  0.12000000  0.00000000       0.003
   0.16000000  0.28000000  0.00000000       0.003
  -0.12000000  0.16000000  0.00000000       0.003
   0.16000000 -0.12000000  0.00000000       0.003
  -0.12000000 -0.28000000  0.00000000       0.003
  -0.28000000 -0.16000000  0.00000000       0.003
   0.32000000  0.12000000  0.00000000       0.003
   0.20000000  0.32000000  0.00000000       0.003
  -0.12000000  0.20000000  0.00000000       0.003
   0.20000000 -0.12000000  0.00000000       0.003
  -0.12000000 -0.32000000  0.00000000       0.003
  -0.32000000 -0.20000000  0.00000000       0.003
   0.36000000  0.12000000  0.00000000       0.003
   0.24000000  0.36000000  0.00000000       0.003
  -0.12000000  0.24000000  0.00000000       0.003
   0.24000000 -0.12000000  0.00000000       0.003
  -0.12000000 -0.36000000  0.00000000       0.003
  -0.36000000 -0.24000000  0.00000000       0.003
   0.40000000  0.12000000  0.00000000       0.003
   0.28000000  0.40000000  0.00000000       0.003
  -0.12000000  0.28000000  0.00000000       0.003
   0.28000000 -0.12000000  0.00000000       0.003
  -0.12000000 -0.40000000  0.00000000       0.003
  -0.40000000 -0.28000000  0.00000000       0.003
   0.44000000  0.12000000  0.00000000       0.003
   0.32000000  0.44000000  0.00000000       0.003
  -0.12000000  0.32000000  0.00000000       0.003
   0.32000000 -0.12000000  0.00000000       0.003
  -0.12000000 -0.44000000  0.00000000       0.003
  -0.44000000 -0.32000000  0.00000000       0.003
   0.48000000  0.12000000  0.00000000       0.003
   0.36000000  0.48000000  0.00000000       0.003
  -0.12000000  0.36000000  0.00000000       0.003
   0.36000000 -0.12000000  0.00000000       0.003
  -0.12000000 -0.48000000  0.00000000       0.003
  -0.48000000 -0.36000000  0.00000000       0.003
  -0.48000000  0.12000000  0.00000000       0.003
   0.40000000 -0.48000000  0.00000000       0.003
  -0.12000000  0.40000000  0.00000000       0.003
   0.40000000 -0.12000000  0.00000000       0.003
  -0.12000000  0.48000000  0.00000000       0.003
   0.48000000 -0.40000000  0.00000000       0.003
  -0.44000000  0.12000000  0.00000000       0.003
   0.44000000 -0.44000000  0.00000000       0.003
  -0.12000000  0.44000000  0.00000000       0.003
   0.32000000  0.16000000  0.00000000       0.003
   0.16000000  0.32000000  0.00000000       0.003
  -0.16000000  0.16000000  0.00000000       0.003
   0.36000000  0.16000000  0.00000000       0.003
   0.20000000  0.36000000  0.00000000       0.003
  -0.16000000  0.20000000  0.00000000       0.003
   0.20000000 -0.16000000  0.00000000       0.003
  -0.16000000 -0.36000000  0.00000000       0.003
  -0.36000000 -0.20000000  0.00000000       0.003
   0.40000000  0.16000000  0.00000000       0.003
   0.24000000  0.40000000  0.00000000       0.003
  -0.16000000  0.24000000  0.00000000       0.003
   0.24000000 -0.16000000  0.00000000       0.003
  -0.16000000 -0.40000000  0.00000000       0.003
  -0.40000000 -0.24000000  0.00000000       0.003
   0.44000000  0.16000000  0.00000000       0.003
   0.28000000  0.44000000  0.00000000       0.003
  -0.16000000  0.28000000  0.00000000       0.003
   0.28000000 -0.16000000  0.00000000       0.003
  -0.16000000 -0.44000000  0.00000000       0.003
  -0.44000000 -0.28000000  0.00000000       0.003
   0.48000000  0.16000000  0.00000000       0.003
   0.32000000  0.48000000  0.00000000       0.003
  -0.16000000  0.32000000  0.00000000       0.003
   0.32000000 -0.16000000  0.00000000       0.003
  -0.16000000 -0.48000000  0.00000000       0.003
  -0.48000000 -0.32000000  0.00000000       0.003
  -0.48000000  0.16000000  0.00000000       0.003
   0.36000000 -0.48000000  0.00000000       0.003
  -0.16000000  0.36000000  0.00000000       0.003
   0.36000000 -0.16000000  0.00000000       0.003
  -0.16000000  0.48000000  0.00000000       0.003
   0.48000000 -0.36000000  0.00000000       0.003
  -0.44000000  0.16000000  0.00000000       0.003
   0.40000000 -0.44000000  0.00000000       0.003
  -0.16000000  0.40000000  0.00000000       0.003
   0.40000000 -0.16000000  0.00000000       0.003
  -0.16000000  0.44000000  0.00000000       0.003
   0.44000000 -0.40000000  0.00000000       0.003
   0.40000000  0.20000000  0.00000000       0.003
   0.20000000  0.40000000  0.00000000       0.003
  -0.20000000  0.20000000  0.00000000       0.003
   0.44000000  0.20000000  0.00000000       0.003
   0.24000000  0.44000000  0.00000000       0.003
  -0.20000000  0.24000000  0.00000000       0.003
   0.24000000 -0.20000000  0.00000000       0.003
  -0.20000000 -0.44000000  0.00000000       0.003
  -0.44000000 -0.24000000  0.00000000       0.003
   0.48000000  0.20000000  0.00000000       0.003
   0.28000000  0.48000000  0.00000000       0.003
  -0.20000000  0.28000000  0.00000000       0.003
   0.28000000 -0.20000000  0.00000000       0.003
  -0.20000000 -0.48000000  0.00000000       0.003
  -0.48000000 -0.28000000  0.00000000       0.003
  -0.48000000  0.20000000  0.00000000       0.003
   0.32000000 -0.48000000  0.00000000       0.003
  -0.20000000  0.32000000  0.00000000       0.003
   0.32000000 -0.20000000  0.00000000       0.003
  -0.20000000  0.48000000  0.00000000       0.003
   0.48000000 -0.32000000  0.00000000       0.003
  -0.44000000  0.20000000  0.00000000       0.003
   0.36000000 -0.44000000  0.00000000       0.003
  -0.20000000  0.36000000  0.00000000       0.003
   0.36000000 -0.20000000  0.00000000       0.003
  -0.20000000  0.44000000  0.00000000       0.003
   0.44000000 -0.36000000  0.00000000       0.003
  -0.40000000  0.20000000  0.00000000       0.003
   0.40000000 -0.40000000  0.00000000       0.003
  -0.20000000  0.40000000  0.00000000       0.003
   0.48000000  0.24000000  0.00000000       0.003
   0.24000000  0.48000000  0.00000000       0.003
  -0.24000000  0.24000000  0.00000000       0.003
  -0.48000000  0.24000000  0.00000000       0.003
   0.28000000 -0.48000000  0.00000000       0.003
  -0.24000000  0.28000000  0.00000000       0.003
   0.28000000 -0.24000000  0.00000000       0.003
  -0.24000000  0.48000000  0.00000000       0.003
   0.48000000 -0.28000000  0.00000000       0.003
  -0.44000000  0.24000000  0.00000000       0.003
   0.32000000 -0.44000000  0.00000000       0.003
  -0.24000000  0.32000000  0.00000000       0.003
   0.32000000 -0.24000000  0.00000000       0.003
  -0.24000000  0.44000000  0.00000000       0.003
   0.44000000 -0.32000000  0.00000000       0.003
  -0.40000000  0.24000000  0.00000000       0.003
   0.36000000 -0.40000000  0.00000000       0.003
  -0.24000000  0.36000000  0.00000000       0.003
   0.36000000 -0.24000000  0.00000000       0.003
  -0.24000000  0.40000000  0.00000000       0.003
   0.40000000 -0.36000000  0.00000000       0.003
  -0.44000000  0.28000000  0.00000000       0.003
   0.28000000 -0.44000000  0.00000000       0.003
  -0.28000000  0.28000000  0.00000000       0.003
  -0.40000000  0.28000000  0.00000000       0.003
   0.32000000 -0.40000000  0.00000000       0.003
  -0.28000000  0.32000000  0.00000000       0.003
   0.32000000 -0.28000000  0.00000000       0.003
  -0.28000000  0.40000000  0.00000000       0.003
   0.40000000 -0.32000000  0.00000000       0.003
  -0.36000000  0.28000000  0.00000000       0.003
   0.36000000 -0.36000000  0.00000000       0.003
  -0.28000000  0.36000000  0.00000000       0.003
  -0.36000000  0.32000000  0.00000000       0.003
   0.32000000 -0.36000000  0.00000000       0.003
  -0.32000000  0.32000000  0.00000000       0.003
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.33333333  0.33333333  0.10605356
   0.66666667  0.66666667  0.21210713
   0.00000000  0.00000000  0.30906950
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   1.42872988  0.82487758  2.33310613
   2.85745977  1.64975517  4.66621226
   0.00000000  0.00000000  6.79931839
 


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


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    2867
 k-point   2 :   0.0400 0.0000 0.0000  plane waves:    2842
 k-point   3 :   0.0400 0.0400 0.0000  plane waves:    2842
 k-point   4 :   0.0000 0.0400 0.0000  plane waves:    2842
 k-point   5 :   0.0800 0.0000 0.0000  plane waves:    2836
 k-point   6 :   0.0800 0.0800 0.0000  plane waves:    2836
 k-point   7 :   0.0000 0.0800 0.0000  plane waves:    2836
 k-point   8 :   0.1200 0.0000 0.0000  plane waves:    2832
 k-point   9 :   0.1200 0.1200 0.0000  plane waves:    2832
 k-point  10 :   0.0000 0.1200 0.0000  plane waves:    2832
 k-point  11 :   0.1600 0.0000 0.0000  plane waves:    2840
 k-point  12 :   0.1600 0.1600 0.0000  plane waves:    2840
 k-point  13 :   0.0000 0.1600 0.0000  plane waves:    2840
 k-point  14 :   0.2000 0.0000 0.0000  plane waves:    2842
 k-point  15 :   0.2000 0.2000 0.0000  plane waves:    2842
 k-point  16 :   0.0000 0.2000 0.0000  plane waves:    2842
 k-point  17 :   0.2400 0.0000 0.0000  plane waves:    2844
 k-point  18 :   0.2400 0.2400 0.0000  plane waves:    2844
 k-point  19 :   0.0000 0.2400 0.0000  plane waves:    2844
 k-point  20 :   0.2800 0.0000 0.0000  plane waves:    2838
 k-point  21 :   0.2800 0.2800 0.0000  plane waves:    2838
 k-point  22 :   0.0000 0.2800 0.0000  plane waves:    2838
 k-point  23 :   0.3200 0.0000 0.0000  plane waves:    2834
 k-point  24 :   0.3200 0.3200 0.0000  plane waves:    2834
 k-point  25 :   0.0000 0.3200 0.0000  plane waves:    2834
 k-point  26 :   0.3600 0.0000 0.0000  plane waves:    2830
 k-point  27 :   0.3600 0.3600 0.0000  plane waves:    2830
 k-point  28 :   0.0000 0.3600 0.0000  plane waves:    2830
 k-point  29 :   0.4000 0.0000 0.0000  plane waves:    2830
 k-point  30 :   0.4000 0.4000 0.0000  plane waves:    2830
 k-point  31 :   0.0000 0.4000 0.0000  plane waves:    2830
 k-point  32 :   0.4400 0.0000 0.0000  plane waves:    2832
 k-point  33 :   0.4400 0.4400 0.0000  plane waves:    2832
 k-point  34 :   0.0000 0.4400 0.0000  plane waves:    2832
 k-point  35 :   0.4800 0.0000 0.0000  plane waves:    2830
 k-point  36 :   0.4800 0.4800 0.0000  plane waves:    2830
 k-point  37 :   0.0000 0.4800 0.0000  plane waves:    2830
 k-point  38 :   0.0800 0.0400 0.0000  plane waves:    2833
 k-point  39 :   0.0400 0.0800 0.0000  plane waves:    2833
 k-point  40 :  -0.0400 0.0400 0.0000  plane waves:    2833
 k-point  41 :   0.1200 0.0400 0.0000  plane waves:    2837
 k-point  42 :   0.0800 0.1200 0.0000  plane waves:    2837
 k-point  43 :  -0.0400 0.0800 0.0000  plane waves:    2837
 k-point  44 :   0.0800-0.0400 0.0000  plane waves:    2837
 k-point  45 :  -0.0400-0.1200 0.0000  plane waves:    2837
 k-point  46 :  -0.1200-0.0800 0.0000  plane waves:    2837
 k-point  47 :   0.1600 0.0400 0.0000  plane waves:    2838
 k-point  48 :   0.1200 0.1600 0.0000  plane waves:    2838
 k-point  49 :  -0.0400 0.1200 0.0000  plane waves:    2838
 k-point  50 :   0.1200-0.0400 0.0000  plane waves:    2838
 k-point  51 :  -0.0400-0.1600 0.0000  plane waves:    2838
 k-point  52 :  -0.1600-0.1200 0.0000  plane waves:    2838
 k-point  53 :   0.2000 0.0400 0.0000  plane waves:    2844
 k-point  54 :   0.1600 0.2000 0.0000  plane waves:    2844
 k-point  55 :  -0.0400 0.1600 0.0000  plane waves:    2844
 k-point  56 :   0.1600-0.0400 0.0000  plane waves:    2844
 k-point  57 :  -0.0400-0.2000 0.0000  plane waves:    2844
 k-point  58 :  -0.2000-0.1600 0.0000  plane waves:    2844
 k-point  59 :   0.2400 0.0400 0.0000  plane waves:    2844
 k-point  60 :   0.2000 0.2400 0.0000  plane waves:    2844
 k-point  61 :  -0.0400 0.2000 0.0000  plane waves:    2844
 k-point  62 :   0.2000-0.0400 0.0000  plane waves:    2844
 k-point  63 :  -0.0400-0.2400 0.0000  plane waves:    2844
 k-point  64 :  -0.2400-0.2000 0.0000  plane waves:    2844
 k-point  65 :   0.2800 0.0400 0.0000  plane waves:    2836
 k-point  66 :   0.2400 0.2800 0.0000  plane waves:    2836
 k-point  67 :  -0.0400 0.2400 0.0000  plane waves:    2836
 k-point  68 :   0.2400-0.0400 0.0000  plane waves:    2836
 k-point  69 :  -0.0400-0.2800 0.0000  plane waves:    2836
 k-point  70 :  -0.2800-0.2400 0.0000  plane waves:    2836
 k-point  71 :   0.3200 0.0400 0.0000  plane waves:    2828
 k-point  72 :   0.2800 0.3200 0.0000  plane waves:    2828
 k-point  73 :  -0.0400 0.2800 0.0000  plane waves:    2828
 k-point  74 :   0.2800-0.0400 0.0000  plane waves:    2828
 k-point  75 :  -0.0400-0.3200 0.0000  plane waves:    2828
 k-point  76 :  -0.3200-0.2800 0.0000  plane waves:    2828
 k-point  77 :   0.3600 0.0400 0.0000  plane waves:    2829
 k-point  78 :   0.3200 0.3600 0.0000  plane waves:    2829
 k-point  79 :  -0.0400 0.3200 0.0000  plane waves:    2829
 k-point  80 :   0.3200-0.0400 0.0000  plane waves:    2829
 k-point  81 :  -0.0400-0.3600 0.0000  plane waves:    2829
 k-point  82 :  -0.3600-0.3200 0.0000  plane waves:    2829
 k-point  83 :   0.4000 0.0400 0.0000  plane waves:    2830
 k-point  84 :   0.3600 0.4000 0.0000  plane waves:    2830
 k-point  85 :  -0.0400 0.3600 0.0000  plane waves:    2830
 k-point  86 :   0.3600-0.0400 0.0000  plane waves:    2830
 k-point  87 :  -0.0400-0.4000 0.0000  plane waves:    2830
 k-point  88 :  -0.4000-0.3600 0.0000  plane waves:    2830
 k-point  89 :   0.4400 0.0400 0.0000  plane waves:    2831
 k-point  90 :   0.4000 0.4400 0.0000  plane waves:    2831
 k-point  91 :  -0.0400 0.4000 0.0000  plane waves:    2831
 k-point  92 :   0.4000-0.0400 0.0000  plane waves:    2831
 k-point  93 :  -0.0400-0.4400 0.0000  plane waves:    2831
 k-point  94 :  -0.4400-0.4000 0.0000  plane waves:    2831
 k-point  95 :   0.4800 0.0400 0.0000  plane waves:    2828
 k-point  96 :   0.4400 0.4800 0.0000  plane waves:    2828
 k-point  97 :  -0.0400 0.4400 0.0000  plane waves:    2828
 k-point  98 :   0.4400-0.0400 0.0000  plane waves:    2828
 k-point  99 :  -0.0400-0.4800 0.0000  plane waves:    2828
 k-point 100 :  -0.4800-0.4400 0.0000  plane waves:    2828
 k-point 101 :  -0.4800 0.0400 0.0000  plane waves:    2826
 k-point 102 :   0.4800-0.4800 0.0000  plane waves:    2826
 k-point 103 :  -0.0400 0.4800 0.0000  plane waves:    2826
 k-point 104 :   0.1600 0.0800 0.0000  plane waves:    2847
 k-point 105 :   0.0800 0.1600 0.0000  plane waves:    2847
 k-point 106 :  -0.0800 0.0800 0.0000  plane waves:    2847
 k-point 107 :   0.2000 0.0800 0.0000  plane waves:    2845
 k-point 108 :   0.1200 0.2000 0.0000  plane waves:    2845
 k-point 109 :  -0.0800 0.1200 0.0000  plane waves:    2845
 k-point 110 :   0.1200-0.0800 0.0000  plane waves:    2845
 k-point 111 :  -0.0800-0.2000 0.0000  plane waves:    2845
 k-point 112 :  -0.2000-0.1200 0.0000  plane waves:    2845
 k-point 113 :   0.2400 0.0800 0.0000  plane waves:    2844
 k-point 114 :   0.1600 0.2400 0.0000  plane waves:    2844
 k-point 115 :  -0.0800 0.1600 0.0000  plane waves:    2844
 k-point 116 :   0.1600-0.0800 0.0000  plane waves:    2844
 k-point 117 :  -0.0800-0.2400 0.0000  plane waves:    2844
 k-point 118 :  -0.2400-0.1600 0.0000  plane waves:    2844
 k-point 119 :   0.2800 0.0800 0.0000  plane waves:    2840
 k-point 120 :   0.2000 0.2800 0.0000  plane waves:    2840
 k-point 121 :  -0.0800 0.2000 0.0000  plane waves:    2840
 k-point 122 :   0.2000-0.0800 0.0000  plane waves:    2840
 k-point 123 :  -0.0800-0.2800 0.0000  plane waves:    2840
 k-point 124 :  -0.2800-0.2000 0.0000  plane waves:    2840
 k-point 125 :   0.3200 0.0800 0.0000  plane waves:    2838
 k-point 126 :   0.2400 0.3200 0.0000  plane waves:    2838
 k-point 127 :  -0.0800 0.2400 0.0000  plane waves:    2838
 k-point 128 :   0.2400-0.0800 0.0000  plane waves:    2838
 k-point 129 :  -0.0800-0.3200 0.0000  plane waves:    2838
 k-point 130 :  -0.3200-0.2400 0.0000  plane waves:    2838
 k-point 131 :   0.3600 0.0800 0.0000  plane waves:    2824
 k-point 132 :   0.2800 0.3600 0.0000  plane waves:    2824
 k-point 133 :  -0.0800 0.2800 0.0000  plane waves:    2824
 k-point 134 :   0.2800-0.0800 0.0000  plane waves:    2824
 k-point 135 :  -0.0800-0.3600 0.0000  plane waves:    2824
 k-point 136 :  -0.3600-0.2800 0.0000  plane waves:    2824
 k-point 137 :   0.4000 0.0800 0.0000  plane waves:    2828
 k-point 138 :   0.3200 0.4000 0.0000  plane waves:    2828
 k-point 139 :  -0.0800 0.3200 0.0000  plane waves:    2828
 k-point 140 :   0.3200-0.0800 0.0000  plane waves:    2828
 k-point 141 :  -0.0800-0.4000 0.0000  plane waves:    2828
 k-point 142 :  -0.4000-0.3200 0.0000  plane waves:    2828
 k-point 143 :   0.4400 0.0800 0.0000  plane waves:    2819
 k-point 144 :   0.3600 0.4400 0.0000  plane waves:    2819
 k-point 145 :  -0.0800 0.3600 0.0000  plane waves:    2819
 k-point 146 :   0.3600-0.0800 0.0000  plane waves:    2819
 k-point 147 :  -0.0800-0.4400 0.0000  plane waves:    2819
 k-point 148 :  -0.4400-0.3600 0.0000  plane waves:    2819
 k-point 149 :   0.4800 0.0800 0.0000  plane waves:    2818
 k-point 150 :   0.4000 0.4800 0.0000  plane waves:    2818
 k-point 151 :  -0.0800 0.4000 0.0000  plane waves:    2818
 k-point 152 :   0.4000-0.0800 0.0000  plane waves:    2818
 k-point 153 :  -0.0800-0.4800 0.0000  plane waves:    2818
 k-point 154 :  -0.4800-0.4000 0.0000  plane waves:    2818
 k-point 155 :  -0.4800 0.0800 0.0000  plane waves:    2816
 k-point 156 :   0.4400-0.4800 0.0000  plane waves:    2816
 k-point 157 :  -0.0800 0.4400 0.0000  plane waves:    2816
 k-point 158 :   0.4400-0.0800 0.0000  plane waves:    2816
 k-point 159 :  -0.0800 0.4800 0.0000  plane waves:    2816
 k-point 160 :   0.4800-0.4400 0.0000  plane waves:    2816
 k-point 161 :   0.2400 0.1200 0.0000  plane waves:    2847
 k-point 162 :   0.1200 0.2400 0.0000  plane waves:    2847
 k-point 163 :  -0.1200 0.1200 0.0000  plane waves:    2847
 k-point 164 :   0.2800 0.1200 0.0000  plane waves:    2841
 k-point 165 :   0.1600 0.2800 0.0000  plane waves:    2841
 k-point 166 :  -0.1200 0.1600 0.0000  plane waves:    2841
 k-point 167 :   0.1600-0.1200 0.0000  plane waves:    2841
 k-point 168 :  -0.1200-0.2800 0.0000  plane waves:    2841
 k-point 169 :  -0.2800-0.1600 0.0000  plane waves:    2841
 k-point 170 :   0.3200 0.1200 0.0000  plane waves:    2830
 k-point 171 :   0.2000 0.3200 0.0000  plane waves:    2830
 k-point 172 :  -0.1200 0.2000 0.0000  plane waves:    2830
 k-point 173 :   0.2000-0.1200 0.0000  plane waves:    2830
 k-point 174 :  -0.1200-0.3200 0.0000  plane waves:    2830
 k-point 175 :  -0.3200-0.2000 0.0000  plane waves:    2830
 k-point 176 :   0.3600 0.1200 0.0000  plane waves:    2828
 k-point 177 :   0.2400 0.3600 0.0000  plane waves:    2828
 k-point 178 :  -0.1200 0.2400 0.0000  plane waves:    2828
 k-point 179 :   0.2400-0.1200 0.0000  plane waves:    2828
 k-point 180 :  -0.1200-0.3600 0.0000  plane waves:    2828
 k-point 181 :  -0.3600-0.2400 0.0000  plane waves:    2828
 k-point 182 :   0.4000 0.1200 0.0000  plane waves:    2828
 k-point 183 :   0.2800 0.4000 0.0000  plane waves:    2828
 k-point 184 :  -0.1200 0.2800 0.0000  plane waves:    2828
 k-point 185 :   0.2800-0.1200 0.0000  plane waves:    2828
 k-point 186 :  -0.1200-0.4000 0.0000  plane waves:    2828
 k-point 187 :  -0.4000-0.2800 0.0000  plane waves:    2828
 k-point 188 :   0.4400 0.1200 0.0000  plane waves:    2826
 k-point 189 :   0.3200 0.4400 0.0000  plane waves:    2826
 k-point 190 :  -0.1200 0.3200 0.0000  plane waves:    2826
 k-point 191 :   0.3200-0.1200 0.0000  plane waves:    2826
 k-point 192 :  -0.1200-0.4400 0.0000  plane waves:    2826
 k-point 193 :  -0.4400-0.3200 0.0000  plane waves:    2826
 k-point 194 :   0.4800 0.1200 0.0000  plane waves:    2824
 k-point 195 :   0.3600 0.4800 0.0000  plane waves:    2824
 k-point 196 :  -0.1200 0.3600 0.0000  plane waves:    2824
 k-point 197 :   0.3600-0.1200 0.0000  plane waves:    2824
 k-point 198 :  -0.1200-0.4800 0.0000  plane waves:    2824
 k-point 199 :  -0.4800-0.3600 0.0000  plane waves:    2824
 k-point 200 :  -0.4800 0.1200 0.0000  plane waves:    2820
 k-point 201 :   0.4000-0.4800 0.0000  plane waves:    2820
 k-point 202 :  -0.1200 0.4000 0.0000  plane waves:    2820
 k-point 203 :   0.4000-0.1200 0.0000  plane waves:    2820
 k-point 204 :  -0.1200 0.4800 0.0000  plane waves:    2820
 k-point 205 :   0.4800-0.4000 0.0000  plane waves:    2820
 k-point 206 :  -0.4400 0.1200 0.0000  plane waves:    2812
 k-point 207 :   0.4400-0.4400 0.0000  plane waves:    2812
 k-point 208 :  -0.1200 0.4400 0.0000  plane waves:    2812
 k-point 209 :   0.3200 0.1600 0.0000  plane waves:    2847
 k-point 210 :   0.1600 0.3200 0.0000  plane waves:    2847
 k-point 211 :  -0.1600 0.1600 0.0000  plane waves:    2847
 k-point 212 :   0.3600 0.1600 0.0000  plane waves:    2827
 k-point 213 :   0.2000 0.3600 0.0000  plane waves:    2827
 k-point 214 :  -0.1600 0.2000 0.0000  plane waves:    2827
 k-point 215 :   0.2000-0.1600 0.0000  plane waves:    2827
 k-point 216 :  -0.1600-0.3600 0.0000  plane waves:    2827
 k-point 217 :  -0.3600-0.2000 0.0000  plane waves:    2827
 k-point 218 :   0.4000 0.1600 0.0000  plane waves:    2832
 k-point 219 :   0.2400 0.4000 0.0000  plane waves:    2832
 k-point 220 :  -0.1600 0.2400 0.0000  plane waves:    2832
 k-point 221 :   0.2400-0.1600 0.0000  plane waves:    2832
 k-point 222 :  -0.1600-0.4000 0.0000  plane waves:    2832
 k-point 223 :  -0.4000-0.2400 0.0000  plane waves:    2832
 k-point 224 :   0.4400 0.1600 0.0000  plane waves:    2832
 k-point 225 :   0.2800 0.4400 0.0000  plane waves:    2832
 k-point 226 :  -0.1600 0.2800 0.0000  plane waves:    2832
 k-point 227 :   0.2800-0.1600 0.0000  plane waves:    2832
 k-point 228 :  -0.1600-0.4400 0.0000  plane waves:    2832
 k-point 229 :  -0.4400-0.2800 0.0000  plane waves:    2832
 k-point 230 :   0.4800 0.1600 0.0000  plane waves:    2826
 k-point 231 :   0.3200 0.4800 0.0000  plane waves:    2826
 k-point 232 :  -0.1600 0.3200 0.0000  plane waves:    2826
 k-point 233 :   0.3200-0.1600 0.0000  plane waves:    2826
 k-point 234 :  -0.1600-0.4800 0.0000  plane waves:    2826
 k-point 235 :  -0.4800-0.3200 0.0000  plane waves:    2826
 k-point 236 :  -0.4800 0.1600 0.0000  plane waves:    2812
 k-point 237 :   0.3600-0.4800 0.0000  plane waves:    2812
 k-point 238 :  -0.1600 0.3600 0.0000  plane waves:    2812
 k-point 239 :   0.3600-0.1600 0.0000  plane waves:    2812
 k-point 240 :  -0.1600 0.4800 0.0000  plane waves:    2812
 k-point 241 :   0.4800-0.3600 0.0000  plane waves:    2812
 k-point 242 :  -0.4400 0.1600 0.0000  plane waves:    2806
 k-point 243 :   0.4000-0.4400 0.0000  plane waves:    2806
 k-point 244 :  -0.1600 0.4000 0.0000  plane waves:    2806
 k-point 245 :   0.4000-0.1600 0.0000  plane waves:    2806
 k-point 246 :  -0.1600 0.4400 0.0000  plane waves:    2806
 k-point 247 :   0.4400-0.4000 0.0000  plane waves:    2806
 k-point 248 :   0.4000 0.2000 0.0000  plane waves:    2831
 k-point 249 :   0.2000 0.4000 0.0000  plane waves:    2831
 k-point 250 :  -0.2000 0.2000 0.0000  plane waves:    2831
 k-point 251 :   0.4400 0.2000 0.0000  plane waves:    2822
 k-point 252 :   0.2400 0.4400 0.0000  plane waves:    2822
 k-point 253 :  -0.2000 0.2400 0.0000  plane waves:    2822
 k-point 254 :   0.2400-0.2000 0.0000  plane waves:    2822
 k-point 255 :  -0.2000-0.4400 0.0000  plane waves:    2822
 k-point 256 :  -0.4400-0.2400 0.0000  plane waves:    2822
 k-point 257 :   0.4800 0.2000 0.0000  plane waves:    2818
 k-point 258 :   0.2800 0.4800 0.0000  plane waves:    2818
 k-point 259 :  -0.2000 0.2800 0.0000  plane waves:    2818
 k-point 260 :   0.2800-0.2000 0.0000  plane waves:    2818
 k-point 261 :  -0.2000-0.4800 0.0000  plane waves:    2818
 k-point 262 :  -0.4800-0.2800 0.0000  plane waves:    2818
 k-point 263 :  -0.4800 0.2000 0.0000  plane waves:    2811
 k-point 264 :   0.3200-0.4800 0.0000  plane waves:    2811
 k-point 265 :  -0.2000 0.3200 0.0000  plane waves:    2811
 k-point 266 :   0.3200-0.2000 0.0000  plane waves:    2811
 k-point 267 :  -0.2000 0.4800 0.0000  plane waves:    2811
 k-point 268 :   0.4800-0.3200 0.0000  plane waves:    2811
 k-point 269 :  -0.4400 0.2000 0.0000  plane waves:    2809
 k-point 270 :   0.3600-0.4400 0.0000  plane waves:    2809
 k-point 271 :  -0.2000 0.3600 0.0000  plane waves:    2809
 k-point 272 :   0.3600-0.2000 0.0000  plane waves:    2809
 k-point 273 :  -0.2000 0.4400 0.0000  plane waves:    2809
 k-point 274 :   0.4400-0.3600 0.0000  plane waves:    2809
 k-point 275 :  -0.4000 0.2000 0.0000  plane waves:    2804
 k-point 276 :   0.4000-0.4000 0.0000  plane waves:    2804
 k-point 277 :  -0.2000 0.4000 0.0000  plane waves:    2804
 k-point 278 :   0.4800 0.2400 0.0000  plane waves:    2813
 k-point 279 :   0.2400 0.4800 0.0000  plane waves:    2813
 k-point 280 :  -0.2400 0.2400 0.0000  plane waves:    2813
 k-point 281 :  -0.4800 0.2400 0.0000  plane waves:    2809
 k-point 282 :   0.2800-0.4800 0.0000  plane waves:    2809
 k-point 283 :  -0.2400 0.2800 0.0000  plane waves:    2809
 k-point 284 :   0.2800-0.2400 0.0000  plane waves:    2809
 k-point 285 :  -0.2400 0.4800 0.0000  plane waves:    2809
 k-point 286 :   0.4800-0.2800 0.0000  plane waves:    2809
 k-point 287 :  -0.4400 0.2400 0.0000  plane waves:    2802
 k-point 288 :   0.3200-0.4400 0.0000  plane waves:    2802
 k-point 289 :  -0.2400 0.3200 0.0000  plane waves:    2802
 k-point 290 :   0.3200-0.2400 0.0000  plane waves:    2802
 k-point 291 :  -0.2400 0.4400 0.0000  plane waves:    2802
 k-point 292 :   0.4400-0.3200 0.0000  plane waves:    2802
 k-point 293 :  -0.4000 0.2400 0.0000  plane waves:    2797
 k-point 294 :   0.3600-0.4000 0.0000  plane waves:    2797
 k-point 295 :  -0.2400 0.3600 0.0000  plane waves:    2797
 k-point 296 :   0.3600-0.2400 0.0000  plane waves:    2797
 k-point 297 :  -0.2400 0.4000 0.0000  plane waves:    2797
 k-point 298 :   0.4000-0.3600 0.0000  plane waves:    2797
 k-point 299 :  -0.4400 0.2800 0.0000  plane waves:    2793
 k-point 300 :   0.2800-0.4400 0.0000  plane waves:    2793
 k-point 301 :  -0.2800 0.2800 0.0000  plane waves:    2793
 k-point 302 :  -0.4000 0.2800 0.0000  plane waves:    2792
 k-point 303 :   0.3200-0.4000 0.0000  plane waves:    2792
 k-point 304 :  -0.2800 0.3200 0.0000  plane waves:    2792
 k-point 305 :   0.3200-0.2800 0.0000  plane waves:    2792
 k-point 306 :  -0.2800 0.4000 0.0000  plane waves:    2792
 k-point 307 :   0.4000-0.3200 0.0000  plane waves:    2792
 k-point 308 :  -0.3600 0.2800 0.0000  plane waves:    2784
 k-point 309 :   0.3600-0.3600 0.0000  plane waves:    2784
 k-point 310 :  -0.2800 0.3600 0.0000  plane waves:    2784
 k-point 311 :  -0.3600 0.3200 0.0000  plane waves:    2767
 k-point 312 :   0.3200-0.3600 0.0000  plane waves:    2767
 k-point 313 :  -0.3200 0.3200 0.0000  plane waves:    2767

 maximum and minimum number of plane-waves per node :       730      654

 maximum number of plane-waves:      2867
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=   35
   IXMIN=   -5   IYMIN=   -5   IZMIN=  -35


 parallel 3D FFT for wavefunctions:
    minimum data exchange during FFTs selected (reduces bandwidth)
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 FFT grid for exact exchange (Hartree Fock) 
  NGX = 14; NGY = 14; NGZ =108

 
 Radii for the augmentation spheres in the non-local exchange
 for species   1 augmentation radius   1.301 (default was   1.041)
       energy cutoff for augmentation   1600.0

 real space projection operators:
  total allocation   :        353.04 KBytes
  max/ min on nodes  :        104.91         71.44

 Maximum index for augmentation-charges in exchange          384
  SETUP_FOCK is finished

 total amount of memory used by VASP MPI-rank0   121263. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      14871. kBytes
   fftplans  :       5086. kBytes
   grid      :       3656. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:        215. kBytes
   wavefun   :      67425. kBytes
 
     INWAV:  cpu time      1.9111: real time      1.9171
 Broyden mixing: mesh for mixing (old mesh)
   NGX =  9   NGY =  9   NGZ = 71
  (NGX  = 40   NGY  = 40   NGZ  =288)
  gives a total of   5751 points

 charge density for first step will be calculated from the start-wavefunctions


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


 Maximum index for augmentation-charges         7095 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.330
 Maximum number of real-space cells 5x 5x 1
 Maximum number of reciprocal cells 2x 2x10

    FEWALD:  cpu time      0.0014: real time      0.0014


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


vdW kernel read from vdw_kernel.bindat
  0.0000  0.2424  0.5071  0.7962  1.1119  1.4567  1.8333  2.2446  2.6937  3.1842
  3.7199  4.3049  4.9438  5.6415  6.4036  7.2358  8.1446  9.1372 10.2212 11.4050
 12.6979 14.1099 15.6519 17.3360 19.1751 21.1837 23.3773 25.7729 28.3892 31.2465
 34.3669 37.7748 41.4965 45.5611 50.0000
 
    POTLOK:  cpu time      0.9063: real time      0.9092
    SETDIJ:  cpu time      0.8093: real time      0.8110
    TRIAL :  cpu time   4463.5366: real time   4481.1847
    CORREC:  cpu time      0.0106: real time      0.0107
    CHARGE:  cpu time      0.4643: real time      0.4661
    --------------------------------------------
      LOOP:  cpu time   4465.7350: real time   4483.4526

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1006430E+02  (-0.1239656E+00)
 number of electron      12.0000000 magnetization      -0.0000037
 augmentation part       -0.1674557 magnetization       0.0000014

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.17122852
  -exchange      EXHF   =        26.73080440
  -V(xc)+E(xc)   XCENC  =       -66.87626433
  PAW double counting   =       356.22835180     -275.49641776
  entropy T*S    EENTRO =        -0.00077679
  eigenvalues    EBANDS =       -53.36074064
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.06430392 eV

  energy without entropy =      -10.06352713  energy(sigma->0) =      -10.06404499
  exchange ACFDT corr.  =        -0.00115693  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5251: real time      0.5268
    SETDIJ:  cpu time      0.8016: real time      0.8034
    TRIAL :  cpu time   4403.6213: real time   4420.2721
    CORREC:  cpu time      0.0110: real time      0.0110
    CHARGE:  cpu time      0.4660: real time      0.4677
    --------------------------------------------
      LOOP:  cpu time   4405.4254: real time   4422.0814

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1153175E+00  (-0.1572833E+00)
 number of electron      12.0000000 magnetization      -0.0000038
 augmentation part       -0.1450721 magnetization       0.0000010

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1129.79734689
  -exchange      EXHF   =        26.73502616
  -V(xc)+E(xc)   XCENC  =       -66.85622257
  PAW double counting   =       523.92063586     -443.17354726
  entropy T*S    EENTRO =        -0.00084483
  eigenvalues    EBANDS =       -53.88928786
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.17962147 eV

  energy without entropy =      -10.17877663  energy(sigma->0) =      -10.17933985
  exchange ACFDT corr.  =        -0.00166060  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5470: real time      0.5486
    SETDIJ:  cpu time      0.8013: real time      0.8030
    TRIAL :  cpu time   4420.4419: real time   4437.3060
    CORREC:  cpu time      0.0107: real time      0.0107
    CHARGE:  cpu time      0.4651: real time      0.4669
    --------------------------------------------
      LOOP:  cpu time   4422.2664: real time   4439.1357

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1413612E+00  (-0.1420046E+00)
 number of electron      12.0000000 magnetization      -0.0000036
 augmentation part       -0.1218582 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1129.43836367
  -exchange      EXHF   =        26.74382478
  -V(xc)+E(xc)   XCENC  =       -66.82905085
  PAW double counting   =      1022.43431441     -941.66823283
  entropy T*S    EENTRO =        -0.00087510
  eigenvalues    EBANDS =       -54.44452752
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.32098265 eV

  energy without entropy =      -10.32010755  energy(sigma->0) =      -10.32069095
  exchange ACFDT corr.  =        -0.00166273  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5484: real time      0.5501
    SETDIJ:  cpu time      0.8007: real time      0.8025
    TRIAL :  cpu time   4411.4189: real time   4428.3375
    CORREC:  cpu time      0.0104: real time      0.0105
    CHARGE:  cpu time      0.4680: real time      0.4699
    --------------------------------------------
      LOOP:  cpu time   4413.2470: real time   4430.1709

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1270439E+00  (-0.1180241E+00)
 number of electron      12.0000000 magnetization      -0.0000032
 augmentation part       -0.1006306 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1129.36038681
  -exchange      EXHF   =        26.75699500
  -V(xc)+E(xc)   XCENC  =       -66.80393830
  PAW double counting   =      2184.64854907    -2103.86728485
  entropy T*S    EENTRO =        -0.00087078
  eigenvalues    EBANDS =       -54.70298345
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.44802657 eV

  energy without entropy =      -10.44715579  energy(sigma->0) =      -10.44773631
  exchange ACFDT corr.  =        -0.00146370  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5481: real time      0.5498
    SETDIJ:  cpu time      0.8044: real time      0.8060
    TRIAL :  cpu time   4369.6753: real time   4386.4632
    CORREC:  cpu time      0.0106: real time      0.0107
    CHARGE:  cpu time      0.4700: real time      0.4717
    --------------------------------------------
      LOOP:  cpu time   4371.5089: real time   4388.3019

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1067845E+00  (-0.9788363E-01)
 number of electron      12.0000000 magnetization      -0.0000028
 augmentation part       -0.0821754 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1129.57189353
  -exchange      EXHF   =        26.77158184
  -V(xc)+E(xc)   XCENC  =       -66.78640905
  PAW double counting   =      4404.79230557    -4324.00359795
  entropy T*S    EENTRO =        -0.00085532
  eigenvalues    EBANDS =       -54.63782499
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.55481103 eV

  energy without entropy =      -10.55395571  energy(sigma->0) =      -10.55452592
  exchange ACFDT corr.  =        -0.00141864  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5481: real time      0.5498
    SETDIJ:  cpu time      0.7996: real time      0.8011
    TRIAL :  cpu time   4355.5019: real time   4372.2040
    CORREC:  cpu time      0.0105: real time      0.0105
    CHARGE:  cpu time      0.4648: real time      0.4666
    --------------------------------------------
      LOOP:  cpu time   4357.3253: real time   4374.0324

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8906802E-01  (-0.7961888E-01)
 number of electron      12.0000000 magnetization      -0.0000028
 augmentation part       -0.0661756 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1129.89661043
  -exchange      EXHF   =        26.78337607
  -V(xc)+E(xc)   XCENC  =       -66.77810794
  PAW double counting   =      8015.14712017    -7934.35880379
  entropy T*S    EENTRO =        -0.00084660
  eigenvalues    EBANDS =       -54.42189567
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.64387904 eV

  energy without entropy =      -10.64303245  energy(sigma->0) =      -10.64359685
  exchange ACFDT corr.  =        -0.00123186  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5468: real time      0.5485
    SETDIJ:  cpu time      0.8007: real time      0.8022
    TRIAL :  cpu time   4367.4246: real time   4384.1443
    CORREC:  cpu time      0.0103: real time      0.0104
    CHARGE:  cpu time      0.4682: real time      0.4700
    --------------------------------------------
      LOOP:  cpu time   4369.2510: real time   4385.9757

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7191861E-01  (-0.6135985E-01)
 number of electron      12.0000000 magnetization      -0.0000031
 augmentation part       -0.0520121 magnetization       0.0000021

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.15251514
  -exchange      EXHF   =        26.78981066
  -V(xc)+E(xc)   XCENC  =       -66.77729020
  PAW double counting   =     13243.30845386   -13162.52611295
  entropy T*S    EENTRO =        -0.00084696
  eigenvalues    EBANDS =       -54.23919516
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.71579766 eV

  energy without entropy =      -10.71495070  energy(sigma->0) =      -10.71551534
  exchange ACFDT corr.  =        -0.00109468  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5471: real time      0.5488
    SETDIJ:  cpu time      0.8018: real time      0.8035
    TRIAL :  cpu time   4373.2859: real time   4390.1648
    CORREC:  cpu time      0.0100: real time      0.0100
    CHARGE:  cpu time      0.4656: real time      0.4674
    --------------------------------------------
      LOOP:  cpu time   4375.1109: real time   4391.9950

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5464691E-01  (-0.4432622E-01)
 number of electron      12.0000000 magnetization      -0.0000037
 augmentation part       -0.0392914 magnetization       0.0000035

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.26781695
  -exchange      EXHF   =        26.79136507
  -V(xc)+E(xc)   XCENC  =       -66.78034684
  PAW double counting   =     20227.55837149   -20146.78426178
  entropy T*S    EENTRO =        -0.00084993
  eigenvalues    EBANDS =       -54.16880646
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.77044456 eV

  energy without entropy =      -10.76959463  energy(sigma->0) =      -10.77016125
  exchange ACFDT corr.  =        -0.00100551  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5478: real time      0.5494
    SETDIJ:  cpu time      0.7988: real time      0.8004
    TRIAL :  cpu time   4367.4179: real time   4384.2857
    CORREC:  cpu time      0.0105: real time      0.0105
    CHARGE:  cpu time      0.4758: real time      0.4780
    --------------------------------------------
      LOOP:  cpu time   4369.2512: real time   4386.1244

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3887956E-01  (-0.2990226E-01)
 number of electron      12.0000000 magnetization      -0.0000044
 augmentation part       -0.0280958 magnetization       0.0000039

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.28964328
  -exchange      EXHF   =        26.79071197
  -V(xc)+E(xc)   XCENC  =       -66.78371903
  PAW double counting   =     28968.49609562   -28887.72964525
  entropy T*S    EENTRO =        -0.00084906
  eigenvalues    EBANDS =       -54.17417209
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80932413 eV

  energy without entropy =      -10.80847507  energy(sigma->0) =      -10.80904111
  exchange ACFDT corr.  =        -0.00095303  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5479: real time      0.5499
    SETDIJ:  cpu time      0.8023: real time      0.8043
    TRIAL :  cpu time   4345.4974: real time   4362.3265
    CORREC:  cpu time      0.0102: real time      0.0102
    CHARGE:  cpu time      0.4771: real time      0.4790
    --------------------------------------------
      LOOP:  cpu time   4347.3353: real time   4364.1703

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2579431E-01  (-0.1850629E-01)
 number of electron      12.0000000 magnetization      -0.0000050
 augmentation part       -0.0188247 magnetization       0.0000031

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.30949385
  -exchange      EXHF   =        26.79051881
  -V(xc)+E(xc)   XCENC  =       -66.78542012
  PAW double counting   =     39101.53721000   -39020.77646938
  entropy T*S    EENTRO =        -0.00084221
  eigenvalues    EBANDS =       -54.17251271
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83511844 eV

  energy without entropy =      -10.83427623  energy(sigma->0) =      -10.83483770
  exchange ACFDT corr.  =        -0.00091216  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5480: real time      0.5497
    SETDIJ:  cpu time      0.7979: real time      0.7996
    TRIAL :  cpu time   4332.8404: real time   4349.6828
    CORREC:  cpu time      0.0143: real time      0.0144
    CHARGE:  cpu time      0.5685: real time      0.5707
    --------------------------------------------
      LOOP:  cpu time   4334.7696: real time   4351.6175

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1563727E-01  (-0.1033368E-01)
 number of electron      12.0000000 magnetization      -0.0000054
 augmentation part       -0.0117244 magnetization       0.0000017

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.36857501
  -exchange      EXHF   =        26.79162544
  -V(xc)+E(xc)   XCENC  =       -66.78552857
  PAW double counting   =     49717.87154446   -49637.11471087
  entropy T*S    EENTRO =        -0.00083101
  eigenvalues    EBANDS =       -54.12616681
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.85075570 eV

  energy without entropy =      -10.84992469  energy(sigma->0) =      -10.85047870
  exchange ACFDT corr.  =        -0.00088679  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5482: real time      0.5499
    SETDIJ:  cpu time      0.8006: real time      0.8021
    TRIAL :  cpu time   4353.6788: real time   4370.4147
    CORREC:  cpu time      0.0093: real time      0.0093
    CHARGE:  cpu time      0.4669: real time      0.4687
    --------------------------------------------
      LOOP:  cpu time   4355.5043: real time   4372.2453

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8519033E-02  (-0.5188603E-02)
 number of electron      12.0000000 magnetization      -0.0000056
 augmentation part       -0.0066888 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.43988012
  -exchange      EXHF   =        26.79328626
  -V(xc)+E(xc)   XCENC  =       -66.78518525
  PAW double counting   =     59658.32562732   -59577.57165839
  entropy T*S    EENTRO =        -0.00081772
  eigenvalues    EBANDS =       -54.06253140
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.85927474 eV

  energy without entropy =      -10.85845702  energy(sigma->0) =      -10.85900216
  exchange ACFDT corr.  =        -0.00087084  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5524: real time      0.5540
    SETDIJ:  cpu time      0.8070: real time      0.8087
    TRIAL :  cpu time   4354.7506: real time   4371.4299
    CORREC:  cpu time      0.0149: real time      0.0149
    CHARGE:  cpu time      0.5574: real time      0.5597
    --------------------------------------------
      LOOP:  cpu time   4356.6828: real time   4373.3677

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4156661E-02  (-0.2339963E-02)
 number of electron      12.0000000 magnetization      -0.0000057
 augmentation part       -0.0033669 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.49003879
  -exchange      EXHF   =        26.79468783
  -V(xc)+E(xc)   XCENC  =       -66.78522596
  PAW double counting   =     68006.18717826   -67925.43562752
  entropy T*S    EENTRO =        -0.00080329
  eigenvalues    EBANDS =       -54.01548538
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86343140 eV

  energy without entropy =      -10.86262811  energy(sigma->0) =      -10.86316363
  exchange ACFDT corr.  =        -0.00087068  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.6583: real time      0.6603
    SETDIJ:  cpu time      0.8110: real time      0.8128
    TRIAL :  cpu time   4342.9752: real time   4359.6922
    CORREC:  cpu time      0.0205: real time      0.0206
    CHARGE:  cpu time      0.6862: real time      0.6886
    --------------------------------------------
      LOOP:  cpu time   4345.1518: real time   4361.8752

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1809183E-02  (-0.9469808E-03)
 number of electron      12.0000000 magnetization      -0.0000058
 augmentation part       -0.0013301 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.51566491
  -exchange      EXHF   =        26.79567187
  -V(xc)+E(xc)   XCENC  =       -66.78572633
  PAW double counting   =     74321.63668377   -74240.88730401
  entropy T*S    EENTRO =        -0.00078789
  eigenvalues    EBANDS =       -53.98999556
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86524058 eV

  energy without entropy =      -10.86445269  energy(sigma->0) =      -10.86497795
  exchange ACFDT corr.  =        -0.00085182  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.6890: real time      0.6912
    SETDIJ:  cpu time      0.8886: real time      0.8903
    TRIAL :  cpu time   4369.4513: real time   4386.2467
    CORREC:  cpu time      0.0117: real time      0.0117
    CHARGE:  cpu time      0.4617: real time      0.4635
    --------------------------------------------
      LOOP:  cpu time   4371.5030: real time   4388.3042

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7047163E-03  (-0.3656809E-03)
 number of electron      12.0000000 magnetization      -0.0000058
 augmentation part       -0.0001906 magnetization      -0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.53141897
  -exchange      EXHF   =        26.79648890
  -V(xc)+E(xc)   XCENC  =       -66.78631960
  PAW double counting   =     78609.23961424   -78528.49201195
  entropy T*S    EENTRO =        -0.00077185
  eigenvalues    EBANDS =       -53.97340789
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86594530 eV

  energy without entropy =      -10.86517345  energy(sigma->0) =      -10.86568801
  exchange ACFDT corr.  =        -0.00084839  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.6165: real time      0.6185
    SETDIJ:  cpu time      0.9721: real time      0.9744
    TRIAL :  cpu time   4361.8502: real time   4378.6141
    CORREC:  cpu time      0.0152: real time      0.0152
    CHARGE:  cpu time      0.4938: real time      0.4957
    --------------------------------------------
      LOOP:  cpu time   4363.9482: real time   4380.7183

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2700765E-03  (-0.1663881E-03)
 number of electron      12.0000000 magnetization      -0.0000059
 augmentation part        0.0003650 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.54733384
  -exchange      EXHF   =        26.79733864
  -V(xc)+E(xc)   XCENC  =       -66.78670823
  PAW double counting   =     81172.32958296   -81091.58306130
  entropy T*S    EENTRO =        -0.00075578
  eigenvalues    EBANDS =       -53.95715962
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86621537 eV

  energy without entropy =      -10.86545960  energy(sigma->0) =      -10.86596345
  exchange ACFDT corr.  =        -0.00084151  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5462: real time      0.5479
    SETDIJ:  cpu time      0.7978: real time      0.7995
    TRIAL :  cpu time   4351.6499: real time   4368.4020
    CORREC:  cpu time      0.0098: real time      0.0098
    CHARGE:  cpu time      0.4674: real time      0.4692
    --------------------------------------------
      LOOP:  cpu time   4353.4716: real time   4370.2289

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1310670E-03  (-0.1041793E-03)
 number of electron      12.0000000 magnetization      -0.0000059
 augmentation part        0.0005661 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.56358273
  -exchange      EXHF   =        26.79822390
  -V(xc)+E(xc)   XCENC  =       -66.78685924
  PAW double counting   =     82478.18254982   -82397.43668267
  entropy T*S    EENTRO =        -0.00074029
  eigenvalues    EBANDS =       -53.94113759
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86634644 eV

  energy without entropy =      -10.86560615  energy(sigma->0) =      -10.86609968
  exchange ACFDT corr.  =        -0.00083107  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5515: real time      0.5532
    SETDIJ:  cpu time      0.7985: real time      0.8000
    TRIAL :  cpu time   4356.3676: real time   4373.1245
    CORREC:  cpu time      0.0104: real time      0.0104
    CHARGE:  cpu time      0.4854: real time      0.4873
    --------------------------------------------
      LOOP:  cpu time   4358.2139: real time   4374.9759

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8997787E-04  (-0.7838093E-04)
 number of electron      12.0000000 magnetization      -0.0000059
 augmentation part        0.0005720 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.57788031
  -exchange      EXHF   =        26.79907821
  -V(xc)+E(xc)   XCENC  =       -66.78687012
  PAW double counting   =     82982.39916461   -82901.65359951
  entropy T*S    EENTRO =        -0.00072576
  eigenvalues    EBANDS =       -53.92748686
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86643642 eV

  energy without entropy =      -10.86571066  energy(sigma->0) =      -10.86619450
  exchange ACFDT corr.  =        -0.00082281  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  19)  ---------------------------------------


    POTLOK:  cpu time      0.5477: real time      0.5494
    SETDIJ:  cpu time      0.7975: real time      0.7990
    TRIAL :  cpu time   4350.8843: real time   4367.5609
    CORREC:  cpu time      0.0103: real time      0.0103
    CHARGE:  cpu time      0.4665: real time      0.4683
    --------------------------------------------
      LOOP:  cpu time   4352.7067: real time   4369.3883

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7110042E-04  (-0.5991024E-04)
 number of electron      12.0000000 magnetization      -0.0000059
 augmentation part        0.0004864 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.58976507
  -exchange      EXHF   =        26.79985524
  -V(xc)+E(xc)   XCENC  =       -66.78683317
  PAW double counting   =     83040.31868213   -82959.57318058
  entropy T*S    EENTRO =        -0.00071235
  eigenvalues    EBANDS =       -53.91643818
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86650752 eV

  energy without entropy =      -10.86579517  energy(sigma->0) =      -10.86627007
  exchange ACFDT corr.  =        -0.00082816  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  20)  ---------------------------------------


    POTLOK:  cpu time      0.5449: real time      0.5465
    SETDIJ:  cpu time      0.8026: real time      0.8041
    TRIAL :  cpu time   4353.4796: real time   4370.2617
    CORREC:  cpu time      0.0130: real time      0.0131
    CHARGE:  cpu time      0.5973: real time      0.5995
    --------------------------------------------
      LOOP:  cpu time   4355.4378: real time   4372.2254

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5527511E-04  (-0.4405970E-04)
 number of electron      12.0000000 magnetization      -0.0000059
 augmentation part        0.0003701 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.59994790
  -exchange      EXHF   =        26.80054027
  -V(xc)+E(xc)   XCENC  =       -66.78679184
  PAW double counting   =     82888.86282909   -82808.11737034
  entropy T*S    EENTRO =        -0.00070013
  eigenvalues    EBANDS =       -53.90700760
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86656279 eV

  energy without entropy =      -10.86586266  energy(sigma->0) =      -10.86632942
  exchange ACFDT corr.  =        -0.00082029  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  21)  ---------------------------------------


    POTLOK:  cpu time      0.5628: real time      0.5646
    SETDIJ:  cpu time      1.1065: real time      1.1089
    TRIAL :  cpu time   4356.2217: real time   4372.7860
    CORREC:  cpu time      0.0101: real time      0.0101
    CHARGE:  cpu time      0.4649: real time      0.4667
    --------------------------------------------
      LOOP:  cpu time   4358.3668: real time   4374.9372

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4093728E-04  (-0.3119518E-04)
 number of electron      12.0000000 magnetization      -0.0000058
 augmentation part        0.0002562 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.60898178
  -exchange      EXHF   =        26.80113579
  -V(xc)+E(xc)   XCENC  =       -66.78675524
  PAW double counting   =     82664.89733089   -82584.15186140
  entropy T*S    EENTRO =        -0.00068911
  eigenvalues    EBANDS =       -53.89866972
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86660373 eV

  energy without entropy =      -10.86591462  energy(sigma->0) =      -10.86637403
  exchange ACFDT corr.  =        -0.00081481  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  22)  ---------------------------------------


    POTLOK:  cpu time      0.5461: real time      0.5477
    SETDIJ:  cpu time      0.8035: real time      0.8050
    TRIAL :  cpu time   4355.7754: real time   4372.3351
    CORREC:  cpu time      0.0103: real time      0.0103
    CHARGE:  cpu time      0.4676: real time      0.4694
    --------------------------------------------
      LOOP:  cpu time   4357.6033: real time   4374.1680

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2917146E-04  (-0.2167042E-04)
 number of electron      12.0000000 magnetization      -0.0000058
 augmentation part        0.0001598 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.61698981
  -exchange      EXHF   =        26.80165109
  -V(xc)+E(xc)   XCENC  =       -66.78672026
  PAW double counting   =     82441.45766981   -82360.71223997
  entropy T*S    EENTRO =        -0.00067927
  eigenvalues    EBANDS =       -53.89121252
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86663290 eV

  energy without entropy =      -10.86595363  energy(sigma->0) =      -10.86640648
  exchange ACFDT corr.  =        -0.00081258  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  23)  ---------------------------------------


    POTLOK:  cpu time      0.5483: real time      0.5500
    SETDIJ:  cpu time      0.8033: real time      0.8048
    TRIAL :  cpu time   4374.1912: real time   4390.9773
    CORREC:  cpu time      0.0107: real time      0.0108
    CHARGE:  cpu time      0.4764: real time      0.4783
    --------------------------------------------
      LOOP:  cpu time   4376.0304: real time   4392.8216

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2038576E-04  (-0.1504009E-04)
 number of electron      12.0000000 magnetization      -0.0000057
 augmentation part        0.0000857 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.62402789
  -exchange      EXHF   =        26.80209821
  -V(xc)+E(xc)   XCENC  =       -66.78668374
  PAW double counting   =     82252.25053747   -82171.50505905
  entropy T*S    EENTRO =        -0.00067053
  eigenvalues    EBANDS =       -53.88473688
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86665329 eV

  energy without entropy =      -10.86598276  energy(sigma->0) =      -10.86642978
  exchange ACFDT corr.  =        -0.00080727  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  24)  ---------------------------------------


    POTLOK:  cpu time      0.5489: real time      0.5506
    SETDIJ:  cpu time      0.8038: real time      0.8053
    TRIAL :  cpu time   4356.8418: real time   4373.5049
    CORREC:  cpu time      0.0172: real time      0.0173
    CHARGE:  cpu time      0.6590: real time      0.6614
    --------------------------------------------
      LOOP:  cpu time   4358.8714: real time   4375.5401

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1429116E-04  (-0.1068002E-04)
 number of electron      12.0000000 magnetization      -0.0000056
 augmentation part        0.0000328 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.63029596
  -exchange      EXHF   =        26.80248816
  -V(xc)+E(xc)   XCENC  =       -66.78664666
  PAW double counting   =     82109.37611422   -82028.63061761
  entropy T*S    EENTRO =        -0.00066283
  eigenvalues    EBANDS =       -53.87893707
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86666758 eV

  energy without entropy =      -10.86600475  energy(sigma->0) =      -10.86644664
  exchange ACFDT corr.  =        -0.00080287  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  25)  ---------------------------------------


    POTLOK:  cpu time      0.5496: real time      0.5513
    SETDIJ:  cpu time      0.8012: real time      0.8029
    TRIAL :  cpu time   4363.3841: real time   4380.3087
    CORREC:  cpu time      0.0105: real time      0.0106
    CHARGE:  cpu time      0.4721: real time      0.4740
    --------------------------------------------
      LOOP:  cpu time   4365.2180: real time   4382.1478

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1021798E-04  (-0.7835779E-05)
 number of electron      12.0000000 magnetization      -0.0000054
 augmentation part       -0.0000024 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.63592914
  -exchange      EXHF   =        26.80282797
  -V(xc)+E(xc)   XCENC  =       -66.78661329
  PAW double counting   =     82011.16981603   -81930.42433479
  entropy T*S    EENTRO =        -0.00065607
  eigenvalues    EBANDS =       -53.87367961
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86667780 eV

  energy without entropy =      -10.86602173  energy(sigma->0) =      -10.86645911
  exchange ACFDT corr.  =        -0.00079924  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  26)  ---------------------------------------


    POTLOK:  cpu time      0.5478: real time      0.5494
    SETDIJ:  cpu time      0.8024: real time      0.8039
    TRIAL :  cpu time   4344.9443: real time   4361.7822
    CORREC:  cpu time      0.0105: real time      0.0105
    EDDIAG:  cpu time   4371.3476: real time   4388.1020
    CHARGE:  cpu time      0.4766: real time      0.4785
    --------------------------------------------
      LOOP:  cpu time   8718.1297: real time   8751.7270

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7518477E-05  (-0.5934701E-05)
 number of electron      12.0000000 magnetization      -0.0000053
 augmentation part       -0.0000235 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       917.87085299
  -Hartree energ DENC   =     -1130.64090984
  -exchange      EXHF   =        26.80337719
  -V(xc)+E(xc)   XCENC  =       -66.78658595
  PAW double counting   =     81950.32207029   -81869.57659792
  entropy T*S    EENTRO =        -0.00065017
  eigenvalues    EBANDS =       -53.86902633
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86668532 eV

  energy without entropy =      -10.86603514  energy(sigma->0) =      -10.86646859
  exchange ACFDT corr.  =        -0.00079624  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   2.7762


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -71.9373       2 -71.8895       3 -71.8485       4 -71.8501
 
 
 
 E-fermi :   1.1066     XC(G=0):  -3.7077     alpha+bet : -6.3116

 Fermi energy:         1.1065879328

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -13.0738      1.00000
      2     -11.7763      1.00000
      3      -9.4471      1.00000
      4      -6.5230      1.00000
      5      -3.2893      1.00000
      6       0.8881      1.03438
      7       3.3367     -0.00000
      8       4.3818     -0.00000
      9       5.1344     -0.00000
     10       6.7603      0.00000
     11       6.9815      0.00000
     12       9.8695      0.00000

 k-point     2 :       0.0400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -13.0260      1.00000
      2     -11.7284      1.00000
      3      -9.3989      1.00000
      4      -6.4740      1.00000
      5      -3.2416      1.00000
      6       0.9329      1.01484
      7       3.3772     -0.00000
      8       4.4214     -0.00000
      9       5.1734     -0.00000
     10       6.7977      0.00000
     11       7.0198      0.00000
     12       9.9016      0.00000

 k-point     3 :       0.0400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -13.0260      1.00000
      2     -11.7284      1.00000
      3      -9.3989      1.00000
      4      -6.4740      1.00000
      5      -3.2416      1.00000
      6       0.9329      1.01484
      7       3.3772     -0.00000
      8       4.4214     -0.00000
      9       5.1734     -0.00000
     10       6.7977      0.00000
     11       7.0198      0.00000
     12       9.9016      0.00000

 k-point     4 :       0.0000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -13.0260      1.00000
      2     -11.7284      1.00000
      3      -9.3989      1.00000
      4      -6.4740      1.00000
      5      -3.2416      1.00000
      6       0.9329      1.01484
      7       3.3772     -0.00000
      8       4.4214     -0.00000
      9       5.1734     -0.00000
     10       6.7977      0.00000
     11       7.0198      0.00000
     12       9.9015      0.00000

 k-point     5 :       0.0800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.8825      1.00000
      2     -11.5846      1.00000
      3      -9.2543      1.00000
      4      -6.3272      1.00000
      5      -3.0984      1.00000
      6       1.0661      0.70599
      7       3.4978     -0.00000
      8       4.5400     -0.00000
      9       5.2895     -0.00000
     10       6.9082      0.00000
     11       7.1337      0.00000
     12      10.3840      0.00000

 k-point     6 :       0.0800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.8825      1.00000
      2     -11.5846      1.00000
      3      -9.2543      1.00000
      4      -6.3272      1.00000
      5      -3.0984      1.00000
      6       1.0661      0.70599
      7       3.4978     -0.00000
      8       4.5400     -0.00000
      9       5.2895     -0.00000
     10       6.9082      0.00000
     11       7.1337      0.00000
     12      10.3840      0.00000

 k-point     7 :       0.0000    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.8825      1.00000
      2     -11.5846      1.00000
      3      -9.2543      1.00000
      4      -6.3272      1.00000
      5      -3.0984      1.00000
      6       1.0661      0.70599
      7       3.4978     -0.00000
      8       4.5400     -0.00000
      9       5.2895     -0.00000
     10       6.9082      0.00000
     11       7.1337      0.00000
     12      10.3840      0.00000

 k-point     8 :       0.1200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.6434      1.00000
      2     -11.3450      1.00000
      3      -9.0133      1.00000
      4      -6.0826      1.00000
      5      -2.8599      1.00000
      6       1.2848     -0.00071
      7       3.6966     -0.00000
      8       4.7363     -0.00000
      9       5.4805     -0.00000
     10       7.0821      0.00000
     11       7.3174      0.00000
     12       9.3317      0.00000

 k-point     9 :       0.1200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.6434      1.00000
      2     -11.3450      1.00000
      3      -9.0133      1.00000
      4      -6.0826      1.00000
      5      -2.8599      1.00000
      6       1.2848     -0.00071
      7       3.6966     -0.00000
      8       4.7363     -0.00000
      9       5.4805     -0.00000
     10       7.0821      0.00000
     11       7.3174      0.00000
     12       9.3314      0.00000

 k-point    10 :       0.0000    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.6434      1.00000
      2     -11.3450      1.00000
      3      -9.0133      1.00000
      4      -6.0826      1.00000
      5      -2.8599      1.00000
      6       1.2848     -0.00071
      7       3.6966     -0.00000
      8       4.7363     -0.00000
      9       5.4805     -0.00000
     10       7.0821      0.00000
     11       7.3174      0.00000
     12       9.3315      0.00000

 k-point    11 :       0.1600    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.3086      1.00000
      2     -11.0095      1.00000
      3      -8.6757      1.00000
      4      -5.7405      1.00000
      5      -2.5266      1.00000
      6       1.5837     -0.00226
      7       3.9674     -0.00000
      8       5.0065     -0.00000
      9       5.7345     -0.00000
     10       7.1644      0.00000
     11       7.5257      0.00000
     12       7.9315      0.00000

 k-point    12 :       0.1600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.3086      1.00000
      2     -11.0095      1.00000
      3      -8.6757      1.00000
      4      -5.7405      1.00000
      5      -2.5266      1.00000
      6       1.5837     -0.00226
      7       3.9674     -0.00000
      8       5.0065     -0.00000
      9       5.7345     -0.00000
     10       7.1668      0.00000
     11       7.5516      0.00000
     12       7.9371      0.00000

 k-point    13 :       0.0000    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.3086      1.00000
      2     -11.0095      1.00000
      3      -8.6757      1.00000
      4      -5.7405      1.00000
      5      -2.5266      1.00000
      6       1.5837     -0.00226
      7       3.9674     -0.00000
      8       5.0065     -0.00000
      9       5.7345     -0.00000
     10       7.1642      0.00000
     11       7.5250      0.00000
     12       7.9299      0.00000

 k-point    14 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.8779      1.00000
      2     -10.5779      1.00000
      3      -8.2413      1.00000
      4      -5.3011      1.00000
      5      -2.0994      1.00000
      6       1.9521     -0.00000
      7       4.2780     -0.00000
      8       5.2989     -0.00000
      9       5.7864     -0.00000
     10       6.3168     -0.00000
     11       6.9607      0.00000
     12       8.2024      0.00000

 k-point    15 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.8779      1.00000
      2     -10.5779      1.00000
      3      -8.2413      1.00000
      4      -5.3011      1.00000
      5      -2.0994      1.00000
      6       1.9521     -0.00000
      7       4.2780     -0.00000
      8       5.2989     -0.00000
      9       5.7864     -0.00000
     10       6.3168     -0.00000
     11       6.9607      0.00000
     12       8.2024      0.00000

 k-point    16 :       0.0000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.8779      1.00000
      2     -10.5779      1.00000
      3      -8.2413      1.00000
      4      -5.3011      1.00000
      5      -2.0994      1.00000
      6       1.9521     -0.00000
      7       4.2780     -0.00000
      8       5.2989     -0.00000
      9       5.7864     -0.00000
     10       6.3168     -0.00000
     11       6.9607      0.00000
     12       8.2025      0.00000

 k-point    17 :       0.2400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.3514      1.00000
      2     -10.0501      1.00000
      3      -7.7101      1.00000
      4      -4.7653      1.00000
      5      -1.5819      1.00000
      6       2.3463     -0.00000
      7       4.0187     -0.00000
      8       4.9620     -0.00000
      9       5.3723     -0.00000
     10       5.8517     -0.00000
     11       6.6149      0.00000
     12       8.4312      0.00000

 k-point    18 :       0.2400    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.3514      1.00000
      2     -10.0501      1.00000
      3      -7.7101      1.00000
      4      -4.7653      1.00000
      5      -1.5819      1.00000
      6       2.3463     -0.00000
      7       4.0187     -0.00000
      8       4.9620     -0.00000
      9       5.3723     -0.00000
     10       5.8517     -0.00000
     11       6.6146      0.00000
     12       8.2792      0.00000

 k-point    19 :       0.0000    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.3514      1.00000
      2     -10.0501      1.00000
      3      -7.7101      1.00000
      4      -4.7653      1.00000
      5      -1.5819      1.00000
      6       2.3463     -0.00000
      7       4.0187     -0.00000
      8       4.9620     -0.00000
      9       5.3723     -0.00000
     10       5.8517     -0.00000
     11       6.6576      0.00000
     12       8.5412      0.00000

 k-point    20 :       0.2800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4257      1.00000
      3      -7.0820      1.00000
      4      -4.1356      1.00000
      5      -0.9855      1.00000
      6       2.1945     -0.00000
      7       3.1408     -0.00000
      8       3.9022     -0.00000
      9       5.3270     -0.00000
     10       5.9124     -0.00000
     11       6.3439     -0.00000
     12       8.9738      0.00000

 k-point    21 :       0.2800    0.2800    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4257      1.00000
      3      -7.0820      1.00000
      4      -4.1356      1.00000
      5      -0.9855      1.00000
      6       2.1945     -0.00000
      7       3.1408     -0.00000
      8       3.9022     -0.00000
      9       5.3270     -0.00000
     10       5.9124     -0.00000
     11       6.3439     -0.00000
     12       8.8763      0.00000

 k-point    22 :       0.0000    0.2800    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4257      1.00000
      3      -7.0820      1.00000
      4      -4.1356      1.00000
      5      -0.9855      1.00000
      6       2.1945     -0.00000
      7       3.1408     -0.00000
      8       3.9022     -0.00000
      9       5.3270     -0.00000
     10       5.9124     -0.00000
     11       6.3439     -0.00000
     12       8.9046      0.00000

 k-point    23 :       0.3200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0094      1.00000
      2      -8.7044      1.00000
      3      -6.3576      1.00000
      4      -3.4195      1.00000
      5      -0.3866      1.00000
      6       0.9054      1.02742
      7       2.1500     -0.00000
      8       3.8027     -0.00000
      9       4.3570     -0.00000
     10       5.9802     -0.00000
     11       6.9481      0.00000
     12       8.7754      0.00000

 k-point    24 :       0.3200    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.0094      1.00000
      2      -8.7044      1.00000
      3      -6.3576      1.00000
      4      -3.4195      1.00000
      5      -0.3866      1.00000
      6       0.9054      1.02742
      7       2.1500     -0.00000
      8       3.8027     -0.00000
      9       4.3570     -0.00000
     10       5.9802     -0.00000
     11       6.9481      0.00000
     12       8.7766      0.00000

 k-point    25 :       0.0000    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.0094      1.00000
      2      -8.7044      1.00000
      3      -6.3576      1.00000
      4      -3.4195      1.00000
      5      -0.3866      1.00000
      6       0.9054      1.02742
      7       2.1500     -0.00000
      8       3.8027     -0.00000
      9       4.3570     -0.00000
     10       5.9802     -0.00000
     11       6.9481      0.00000
     12       8.7613      0.00000

 k-point    26 :       0.3600    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.1932      1.00000
      2      -7.8862      1.00000
      3      -5.5387      1.00000
      4      -2.6489      1.00000
      5      -0.8452      1.00000
      6       0.4092      1.00000
      7       0.9793      0.94481
      8       2.9108     -0.00000
      9       4.4261     -0.00000
     10       5.6244     -0.00000
     11       6.6297      0.00000
     12       8.4711      0.00000

 k-point    27 :       0.3600    0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.1932      1.00000
      2      -7.8862      1.00000
      3      -5.5387      1.00000
      4      -2.6489      1.00000
      5      -0.8452      1.00000
      6       0.4092      1.00000
      7       0.9793      0.94481
      8       2.9108     -0.00000
      9       4.4261     -0.00000
     10       5.6244     -0.00000
     11       6.6297      0.00000
     12       8.4711      0.00000

 k-point    28 :       0.0000    0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.1932      1.00000
      2      -7.8862      1.00000
      3      -5.5387      1.00000
      4      -2.6489      1.00000
      5      -0.8452      1.00000
      6       0.4092      1.00000
      7       0.9793      0.94482
      8       2.9108     -0.00000
      9       4.4261     -0.00000
     10       5.6244     -0.00000
     11       6.6297      0.00000
     12       8.4711      0.00000

 k-point    29 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.2797      1.00000
      2      -6.9714      1.00000
      3      -4.6325      1.00000
      4      -2.4109      1.00000
      5      -1.7378      1.00000
      6      -0.6282      1.00000
      7       1.3753     -0.03400
      8       1.7185     -0.00008
      9       4.2260     -0.00000
     10       5.2574     -0.00000
     11       6.9382      0.00000
     12       8.2406      0.00000

 k-point    30 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.2797      1.00000
      2      -6.9714      1.00000
      3      -4.6325      1.00000
      4      -2.4109      1.00000
      5      -1.7378      1.00000
      6      -0.6282      1.00000
      7       1.3753     -0.03400
      8       1.7185     -0.00008
      9       4.2260     -0.00000
     10       5.2574     -0.00000
     11       6.9382      0.00000
     12       8.2406      0.00000

 k-point    31 :       0.0000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.2797      1.00000
      2      -6.9714      1.00000
      3      -4.6325      1.00000
      4      -2.4109      1.00000
      5      -1.7378      1.00000
      6      -0.6282      1.00000
      7       1.3753     -0.03400
      8       1.7185     -0.00008
      9       4.2260     -0.00000
     10       5.2574     -0.00000
     11       6.9382      0.00000
     12       8.2406      0.00000

 k-point    32 :       0.4400    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.2688      1.00000
      2      -5.9621      1.00000
      3      -3.7304      1.00000
      4      -3.6199      1.00000
      5      -2.3577      1.00000
      6      -0.5275      1.00000
      7       0.2731      1.00000
      8       2.5012     -0.00000
      9       3.0042     -0.00000
     10       5.7267     -0.00000
     11       6.1044     -0.00000
     12       8.0864      0.00000

 k-point    33 :       0.4400    0.4400    0.0000
  band No.  band energies     occupation 
      1      -7.2688      1.00000
      2      -5.9621      1.00000
      3      -3.7304      1.00000
      4      -3.6199      1.00000
      5      -2.3577      1.00000
      6      -0.5275      1.00000
      7       0.2731      1.00000
      8       2.5012     -0.00000
      9       3.0042     -0.00000
     10       5.7267     -0.00000
     11       6.1044     -0.00000
     12       8.0864      0.00000

 k-point    34 :       0.0000    0.4400    0.0000
  band No.  band energies     occupation 
      1      -7.2688      1.00000
      2      -5.9621      1.00000
      3      -3.7304      1.00000
      4      -3.6199      1.00000
      5      -2.3577      1.00000
      6      -0.5275      1.00000
      7       0.2731      1.00000
      8       2.5012     -0.00000
      9       3.0042     -0.00000
     10       5.7267     -0.00000
     11       6.1044     -0.00000
     12       8.0864      0.00000

 k-point    35 :       0.4800    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.1628      1.00000
      2      -4.9647      1.00000
      3      -4.8585      1.00000
      4      -3.7187      1.00000
      5      -2.5228      1.00000
      6      -1.0813      1.00000
      7       0.6358      1.00207
      8       1.8192     -0.00000
      9       3.4816     -0.00000
     10       4.6728     -0.00000
     11       6.8987      0.00000
     12       8.0092      0.00000

 k-point    36 :       0.4800    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.1628      1.00000
      2      -4.9647      1.00000
      3      -4.8585      1.00000
      4      -3.7187      1.00000
      5      -2.5228      1.00000
      6      -1.0813      1.00000
      7       0.6358      1.00207
      8       1.8192     -0.00000
      9       3.4816     -0.00000
     10       4.6728     -0.00000
     11       6.8987      0.00000
     12       8.0092      0.00000

 k-point    37 :       0.0000    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.1628      1.00000
      2      -4.9647      1.00000
      3      -4.8585      1.00000
      4      -3.7187      1.00000
      5      -2.5228      1.00000
      6      -1.0813      1.00000
      7       0.6358      1.00207
      8       1.8192     -0.00000
      9       3.4816     -0.00000
     10       4.6728     -0.00000
     11       6.8987      0.00000
     12       8.0092      0.00000

 k-point    38 :       0.0800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.9304      1.00000
      2     -11.6325      1.00000
      3      -9.3025      1.00000
      4      -6.3761      1.00000
      5      -3.1461      1.00000
      6       1.0219      0.85554
      7       3.4577     -0.00000
      8       4.5005     -0.00000
      9       5.2509     -0.00000
     10       6.8717      0.00000
     11       7.0960      0.00000
     12      10.0857      0.00000

 k-point    39 :       0.0400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.9304      1.00000
      2     -11.6325      1.00000
      3      -9.3025      1.00000
      4      -6.3761      1.00000
      5      -3.1461      1.00000
      6       1.0219      0.85555
      7       3.4577     -0.00000
      8       4.5005     -0.00000
      9       5.2509     -0.00000
     10       6.8717      0.00000
     11       7.0960      0.00000
     12      10.1162      0.00000

 k-point    40 :      -0.0400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.9304      1.00000
      2     -11.6325      1.00000
      3      -9.3025      1.00000
      4      -6.3761      1.00000
      5      -3.1461      1.00000
      6       1.0219      0.85554
      7       3.4577     -0.00000
      8       4.5005     -0.00000
      9       5.2509     -0.00000
     10       6.8717      0.00000
     11       7.0960      0.00000
     12      10.0870      0.00000

 k-point    41 :       0.1200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18394
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0051      0.00000

 k-point    42 :       0.0800    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18394
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0051      0.00000

 k-point    43 :      -0.0400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18394
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0051      0.00000

 k-point    44 :       0.0800   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18394
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0051      0.00000

 k-point    45 :      -0.0400   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18394
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0051      0.00000

 k-point    46 :      -0.1200   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18394
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0051      0.00000

 k-point    47 :       0.1600    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4569     -0.01820
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.2000      0.00000
     11       7.4525      0.00000
     12       8.9133      0.00000

 k-point    48 :       0.1200    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4569     -0.01820
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.2000      0.00000
     11       7.4525      0.00000
     12       8.9131      0.00000

 k-point    49 :      -0.0400    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4569     -0.01820
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.2000      0.00000
     11       7.4525      0.00000
     12       8.9129      0.00000

 k-point    50 :       0.1200   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4569     -0.01820
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.2000      0.00000
     11       7.4525      0.00000
     12       8.9129      0.00000

 k-point    51 :      -0.0400   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4569     -0.01820
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.2000      0.00000
     11       7.4525      0.00000
     12       8.9130      0.00000

 k-point    52 :      -0.1600   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4569     -0.01820
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.2000      0.00000
     11       7.4525      0.00000
     12       8.9135      0.00000

 k-point    53 :       0.2000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6357      0.00000
     12       7.7127      0.00000

 k-point    54 :       0.1600    0.2000    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6357      0.00000
     12       7.7127      0.00000

 k-point    55 :      -0.0400    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6356      0.00000
     12       7.7127      0.00000

 k-point    56 :       0.1600   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6357      0.00000
     12       7.7127      0.00000

 k-point    57 :      -0.0400   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6356      0.00000
     12       7.7127      0.00000

 k-point    58 :      -0.2000   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6357      0.00000
     12       7.7127      0.00000

 k-point    59 :       0.2400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3814     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1943     -0.00000
     11       6.4223     -0.00000
     12       8.3479      0.00000

 k-point    60 :       0.2000    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3814     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1943     -0.00000
     11       6.4223     -0.00000
     12       8.3479      0.00000

 k-point    61 :      -0.0400    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3814     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1943     -0.00000
     11       6.4223     -0.00000
     12       8.3479      0.00000

 k-point    62 :       0.2000   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3814     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1943     -0.00000
     11       6.4223     -0.00000
     12       8.3479      0.00000

 k-point    63 :      -0.0400   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3814     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1943     -0.00000
     11       6.4223     -0.00000
     12       8.3479      0.00000

 k-point    64 :      -0.2400   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3814     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1943     -0.00000
     11       6.4223     -0.00000
     12       8.3479      0.00000

 k-point    65 :       0.2800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6057      0.00000
     12       7.2676      0.00000

 k-point    66 :       0.2400    0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6062      0.00000
     12       7.3438      0.00000

 k-point    67 :      -0.0400    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6055      0.00000
     12       7.2512      0.00000

 k-point    68 :       0.2400   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6083      0.00000
     12       7.4378      0.00000

 k-point    69 :      -0.0400   -0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6062      0.00000
     12       7.3382      0.00000

 k-point    70 :      -0.2800   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6059      0.00000
     12       7.2925      0.00000

 k-point    71 :       0.3200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0816     -0.00000
     10       5.7373     -0.00000
     11       6.6896      0.00000
     12       7.6212      0.00000

 k-point    72 :       0.2800    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0816     -0.00000
     10       5.7373     -0.00000
     11       6.6897      0.00000
     12       7.6212      0.00000

 k-point    73 :      -0.0400    0.2800    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0816     -0.00000
     10       5.7373     -0.00000
     11       6.6897      0.00000
     12       7.6212      0.00000

 k-point    74 :       0.2800   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0816     -0.00000
     10       5.7373     -0.00000
     11       6.6897      0.00000
     12       7.6212      0.00000

 k-point    75 :      -0.0400   -0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0816     -0.00000
     10       5.7373     -0.00000
     11       6.6897      0.00000
     12       7.6212      0.00000

 k-point    76 :      -0.3200   -0.2800    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0816     -0.00000
     10       5.7373     -0.00000
     11       6.6897      0.00000
     12       7.6212      0.00000

 k-point    77 :       0.3600    0.0400    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3401     -0.00000
     12       7.4446      0.00000

 k-point    78 :       0.3200    0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3401     -0.00000
     12       7.4446      0.00000

 k-point    79 :      -0.0400    0.3200    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3401     -0.00000
     12       7.4446      0.00000

 k-point    80 :       0.3200   -0.0400    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3401     -0.00000
     12       7.4446      0.00000

 k-point    81 :      -0.0400   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3401     -0.00000
     12       7.4446      0.00000

 k-point    82 :      -0.3600   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3401     -0.00000
     12       7.4446      0.00000

 k-point    83 :       0.4000    0.0400    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2755      1.00000
      5      -1.4289      1.00000
      6      -0.0528      1.00000
      7       1.1888      0.19466
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1199     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    84 :       0.3600    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2755      1.00000
      5      -1.4289      1.00000
      6      -0.0528      1.00000
      7       1.1888      0.19466
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1199     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    85 :      -0.0400    0.3600    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2755      1.00000
      5      -1.4289      1.00000
      6      -0.0528      1.00000
      7       1.1888      0.19466
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1199     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    86 :       0.3600   -0.0400    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2755      1.00000
      5      -1.4289      1.00000
      6      -0.0528      1.00000
      7       1.1888      0.19466
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1199     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    87 :      -0.0400   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2755      1.00000
      5      -1.4289      1.00000
      6      -0.0528      1.00000
      7       1.1888      0.19466
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1199     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    88 :      -0.4000   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2755      1.00000
      5      -1.4289      1.00000
      6      -0.0528      1.00000
      7       1.1888      0.19466
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1199     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    89 :       0.4400    0.0400    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    90 :       0.4000    0.4400    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    91 :      -0.0400    0.4000    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    92 :       0.4000   -0.0400    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    93 :      -0.0400   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    94 :      -0.4400   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    95 :       0.4800    0.0400    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5701      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point    96 :       0.4400    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5701      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point    97 :      -0.0400    0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5701      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point    98 :       0.4400   -0.0400    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5701      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point    99 :      -0.0400   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5701      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point   100 :      -0.4800   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5701      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point   101 :      -0.4800    0.0400    0.0000
  band No.  band energies     occupation 
      1      -5.5902      1.00000
      2      -5.4804      1.00000
      3      -4.3069      1.00000
      4      -4.2005      1.00000
      5      -2.2361      1.00000
      6      -1.3303      1.00000
      7       1.0321      0.79765
      8       1.4515     -0.01836
      9       3.8366     -0.00000
     10       4.3555     -0.00000
     11       6.8184      0.00000
     12       7.1662      0.00000

 k-point   102 :       0.4800   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -5.5902      1.00000
      2      -5.4804      1.00000
      3      -4.3069      1.00000
      4      -4.2005      1.00000
      5      -2.2361      1.00000
      6      -1.3303      1.00000
      7       1.0321      0.79763
      8       1.4515     -0.01836
      9       3.8366     -0.00000
     10       4.3555     -0.00000
     11       6.8184      0.00000
     12       7.1662      0.00000

 k-point   103 :      -0.0400    0.4800    0.0000
  band No.  band energies     occupation 
      1      -5.5902      1.00000
      2      -5.4804      1.00000
      3      -4.3069      1.00000
      4      -4.2005      1.00000
      5      -2.2361      1.00000
      6      -1.3303      1.00000
      7       1.0321      0.79764
      8       1.4515     -0.01836
      9       3.8366     -0.00000
     10       4.3555     -0.00000
     11       6.8184      0.00000
     12       7.1662      0.00000

 k-point   104 :       0.1600    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.4999      1.00000
      2     -11.2013      1.00000
      3      -8.8686      1.00000
      4      -5.9360      1.00000
      5      -2.7169      1.00000
      6       1.4142     -0.02791
      7       3.8146     -0.00000
      8       4.8536     -0.00000
      9       5.5938     -0.00000
     10       7.1835      0.00000
     11       7.4229      0.00000
     12       9.3761      0.00000

 k-point   105 :       0.0800    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.4999      1.00000
      2     -11.2013      1.00000
      3      -8.8686      1.00000
      4      -5.9360      1.00000
      5      -2.7169      1.00000
      6       1.4142     -0.02791
      7       3.8146     -0.00000
      8       4.8536     -0.00000
      9       5.5938     -0.00000
     10       7.1835      0.00000
     11       7.4229      0.00000
     12       9.3758      0.00000

 k-point   106 :      -0.0800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.4999      1.00000
      2     -11.2013      1.00000
      3      -8.8686      1.00000
      4      -5.9360      1.00000
      5      -2.7169      1.00000
      6       1.4142     -0.02791
      7       3.8146     -0.00000
      8       4.8536     -0.00000
      9       5.5938     -0.00000
     10       7.1835      0.00000
     11       7.4229      0.00000
     12       9.3761      0.00000

 k-point   107 :       0.2000    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5939      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2718      0.00000
     11       7.5884      0.00000
     12       8.2892      0.00000

 k-point   108 :       0.1200    0.2000    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5939      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2718      0.00000
     11       7.5884      0.00000
     12       8.3022      0.00000

 k-point   109 :      -0.0800    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5939      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2718      0.00000
     11       7.5884      0.00000
     12       8.3022      0.00000

 k-point   110 :       0.1200   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5939      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2718      0.00000
     11       7.5884      0.00000
     12       8.3022      0.00000

 k-point   111 :      -0.0800   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5939      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2718      0.00000
     11       7.5884      0.00000
     12       8.2892      0.00000

 k-point   112 :      -0.2000   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5939      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2718      0.00000
     11       7.5884      0.00000
     12       8.2892      0.00000

 k-point   113 :       0.2400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4229     -0.00000
     11       7.0693      0.00000
     12       8.2311      0.00000

 k-point   114 :       0.1600    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4229     -0.00000
     11       7.0693      0.00000
     12       8.2310      0.00000

 k-point   115 :      -0.0800    0.1600    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4229     -0.00000
     11       7.0694      0.00000
     12       8.2315      0.00000

 k-point   116 :       0.1600   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4229     -0.00000
     11       7.0694      0.00000
     12       8.2331      0.00000

 k-point   117 :      -0.0800   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4229     -0.00000
     11       7.0693      0.00000
     12       8.2315      0.00000

 k-point   118 :      -0.2400   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4229     -0.00000
     11       7.0693      0.00000
     12       8.2315      0.00000

 k-point   119 :       0.2800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9525     -0.00000
     11       6.9454      0.00000
     12       7.5925      0.00000

 k-point   120 :       0.2000    0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9525     -0.00000
     11       6.9454      0.00000
     12       7.5925      0.00000

 k-point   121 :      -0.0800    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9525     -0.00000
     11       6.9453      0.00000
     12       7.5922      0.00000

 k-point   122 :       0.2000   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9525     -0.00000
     11       6.9453      0.00000
     12       7.5923      0.00000

 k-point   123 :      -0.0800   -0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9525     -0.00000
     11       6.9455      0.00000
     12       7.5927      0.00000

 k-point   124 :      -0.2800   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9525     -0.00000
     11       6.9453      0.00000
     12       7.5921      0.00000

 k-point   125 :       0.3200    0.0800    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4817     -0.00000
     12       7.4505      0.00000

 k-point   126 :       0.2400    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4817     -0.00000
     12       7.4505      0.00000

 k-point   127 :      -0.0800    0.2400    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4817     -0.00000
     12       7.4505      0.00000

 k-point   128 :       0.2400   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4817     -0.00000
     12       7.4505      0.00000

 k-point   129 :      -0.0800   -0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4817     -0.00000
     12       7.4505      0.00000

 k-point   130 :      -0.3200   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4817     -0.00000
     12       7.4505      0.00000

 k-point   131 :       0.3600    0.0800    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76805
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0426      0.00000

 k-point   132 :       0.2800    0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76805
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0426      0.00000

 k-point   133 :      -0.0800    0.2800    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76805
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0426      0.00000

 k-point   134 :       0.2800   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76805
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0426      0.00000

 k-point   135 :      -0.0800   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76805
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0426      0.00000

 k-point   136 :      -0.3600   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76805
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0426      0.00000

 k-point   137 :       0.4000    0.0800    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49404
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4009      0.00000

 k-point   138 :       0.3200    0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49404
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4009      0.00000

 k-point   139 :      -0.0800    0.3200    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49405
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4009      0.00000

 k-point   140 :       0.3200   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49404
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4009      0.00000

 k-point   141 :      -0.0800   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49405
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4009      0.00000

 k-point   142 :      -0.4000   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49404
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4009      0.00000

 k-point   143 :       0.4400    0.0800    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5978      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0733      0.00000

 k-point   144 :       0.3600    0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5978      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0733      0.00000

 k-point   145 :      -0.0800    0.3600    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5978      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0733      0.00000

 k-point   146 :       0.3600   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5978      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0733      0.00000

 k-point   147 :      -0.0800   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5978      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0733      0.00000

 k-point   148 :      -0.4400   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5978      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0733      0.00000

 k-point   149 :       0.4800    0.0800    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   150 :       0.4000    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   151 :      -0.0800    0.4000    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   152 :       0.4000   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   153 :      -0.0800   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   154 :      -0.4800   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   155 :      -0.4800    0.0800    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   156 :       0.4400   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   157 :      -0.0800    0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   158 :       0.4400   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   159 :      -0.0800    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   160 :       0.4800   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   161 :       0.2400    0.1200    0.0000
  band No.  band energies     occupation 
      1     -11.7822      1.00000
      2     -10.4820      1.00000
      3      -8.1448      1.00000
      4      -5.2035      1.00000
      5      -2.0044      1.00000
      6       2.0377     -0.00000
      7       4.3703     -0.00000
      8       5.4138     -0.00000
      9       6.0655     -0.00000
     10       6.9866      0.00000
     11       7.3940      0.00000
     12       7.9289      0.00000

 k-point   162 :       0.1200    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.7822      1.00000
      2     -10.4820      1.00000
      3      -8.1448      1.00000
      4      -5.2035      1.00000
      5      -2.0044      1.00000
      6       2.0377     -0.00000
      7       4.3703     -0.00000
      8       5.4138     -0.00000
      9       6.0655     -0.00000
     10       6.9866      0.00000
     11       7.3940      0.00000
     12       7.9289      0.00000

 k-point   163 :      -0.1200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -11.7822      1.00000
      2     -10.4820      1.00000
      3      -8.1448      1.00000
      4      -5.2035      1.00000
      5      -2.0044      1.00000
      6       2.0377     -0.00000
      7       4.3703     -0.00000
      8       5.4138     -0.00000
      9       6.0655     -0.00000
     10       6.9866      0.00000
     11       7.3940      0.00000
     12       7.9289      0.00000

 k-point   164 :       0.2800    0.1200    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3103     -0.00000
     11       6.4464     -0.00000
     12       7.3238      0.00000

 k-point   165 :       0.1600    0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3103     -0.00000
     11       6.4464     -0.00000
     12       7.3234      0.00000

 k-point   166 :      -0.1200    0.1600    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3103     -0.00000
     11       6.4464     -0.00000
     12       7.3235      0.00000

 k-point   167 :       0.1600   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3103     -0.00000
     11       6.4464     -0.00000
     12       7.3220      0.00000

 k-point   168 :      -0.1200   -0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3103     -0.00000
     11       6.4464     -0.00000
     12       7.3236      0.00000

 k-point   169 :      -0.2800   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3103     -0.00000
     11       6.4464     -0.00000
     12       7.3234      0.00000

 k-point   170 :       0.3200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5814      0.00000
     12       6.8683      0.00000

 k-point   171 :       0.2000    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5814      0.00000
     12       6.8683      0.00000

 k-point   172 :      -0.1200    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5814      0.00000
     12       6.8683      0.00000

 k-point   173 :       0.2000   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5814      0.00000
     12       6.8683      0.00000

 k-point   174 :      -0.1200   -0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5814      0.00000
     12       6.8683      0.00000

 k-point   175 :      -0.3200   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5814      0.00000
     12       6.8683      0.00000

 k-point   176 :       0.3600    0.1200    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   177 :       0.2400    0.3600    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   178 :      -0.1200    0.2400    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   179 :       0.2400   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   180 :      -0.1200   -0.3600    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   181 :      -0.3600   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   182 :       0.4000    0.1200    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   183 :       0.2800    0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   184 :      -0.1200    0.2800    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   185 :       0.2800   -0.1200    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   186 :      -0.1200   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   187 :      -0.4000   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   188 :       0.4400    0.1200    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02073
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2575     -0.00000

 k-point   189 :       0.3200    0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02073
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2575     -0.00000

 k-point   190 :      -0.1200    0.3200    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02073
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2575     -0.00000

 k-point   191 :       0.3200   -0.1200    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02073
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2575     -0.00000

 k-point   192 :      -0.1200   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02073
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2575     -0.00000

 k-point   193 :      -0.4400   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02073
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2575     -0.00000

 k-point   194 :       0.4800    0.1200    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   195 :       0.3600    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44312
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   196 :      -0.1200    0.3600    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   197 :       0.3600   -0.1200    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   198 :      -0.1200   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   199 :      -0.4800   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   200 :      -0.4800    0.1200    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   201 :       0.4000   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   202 :      -0.1200    0.4000    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   203 :       0.4000   -0.1200    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   204 :      -0.1200    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   205 :       0.4800   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   206 :      -0.4400    0.1200    0.0000
  band No.  band energies     occupation 
      1      -5.3022      1.00000
      2      -5.1903      1.00000
      3      -4.0202      1.00000
      4      -3.9170      1.00000
      5      -1.9614      1.00000
      6      -1.0454      1.00000
      7       1.2626      0.01769
      8       1.6653     -0.00031
      9       3.7404     -0.00000
     10       4.5509     -0.00000
     11       4.5885     -0.00000
     12       5.5658     -0.00000

 k-point   207 :       0.4400   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.3022      1.00000
      2      -5.1903      1.00000
      3      -4.0202      1.00000
      4      -3.9170      1.00000
      5      -1.9614      1.00000
      6      -1.0454      1.00000
      7       1.2626      0.01769
      8       1.6653     -0.00031
      9       3.7404     -0.00000
     10       4.5509     -0.00000
     11       4.5885     -0.00000
     12       5.5658     -0.00000

 k-point   208 :      -0.1200    0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.3022      1.00000
      2      -5.1903      1.00000
      3      -4.0202      1.00000
      4      -3.9170      1.00000
      5      -1.9614      1.00000
      6      -1.0454      1.00000
      7       1.2626      0.01769
      8       1.6653     -0.00031
      9       3.7404     -0.00000
     10       4.5509     -0.00000
     11       4.5885     -0.00000
     12       5.5658     -0.00000

 k-point   209 :       0.3200    0.1600    0.0000
  band No.  band energies     occupation 
      1     -10.7766      1.00000
      2      -9.4739      1.00000
      3      -7.1305      1.00000
      4      -4.1830      1.00000
      5      -1.0213      1.00000
      6       2.7828     -0.00000
      7       4.3016     -0.00000
      8       4.8012     -0.00000
      9       5.5433     -0.00000
     10       5.7296     -0.00000
     11       5.9375     -0.00000
     12       6.9638      0.00000

 k-point   210 :       0.1600    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.7766      1.00000
      2      -9.4739      1.00000
      3      -7.1305      1.00000
      4      -4.1830      1.00000
      5      -1.0213      1.00000
      6       2.7828     -0.00000
      7       4.3016     -0.00000
      8       4.8012     -0.00000
      9       5.5433     -0.00000
     10       5.7296     -0.00000
     11       5.9375     -0.00000
     12       6.9639      0.00000

 k-point   211 :      -0.1600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -10.7766      1.00000
      2      -9.4739      1.00000
      3      -7.1305      1.00000
      4      -4.1830      1.00000
      5      -1.0213      1.00000
      6       2.7828     -0.00000
      7       4.3016     -0.00000
      8       4.8012     -0.00000
      9       5.5433     -0.00000
     10       5.7296     -0.00000
     11       5.9375     -0.00000
     12       6.9638      0.00000

 k-point   212 :       0.3600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   213 :       0.2000    0.3600    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   214 :      -0.1600    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   215 :       0.2000   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   216 :      -0.1600   -0.3600    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   217 :      -0.3600   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   218 :       0.4000    0.1600    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   219 :       0.2400    0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   220 :      -0.1600    0.2400    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   221 :       0.2400   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   222 :      -0.1600   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   223 :      -0.4000   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   224 :       0.4400    0.1600    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00697
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   225 :       0.2800    0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00697
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   226 :      -0.1600    0.2800    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00697
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   227 :       0.2800   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00697
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   228 :      -0.1600   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00697
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   229 :      -0.4400   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00697
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   230 :       0.4800    0.1600    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   231 :       0.3200    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   232 :      -0.1600    0.3200    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   233 :       0.3200   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   234 :      -0.1600   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   235 :      -0.4800   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   236 :      -0.4800    0.1600    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2407     -0.00000

 k-point   237 :       0.3600   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2406     -0.00000

 k-point   238 :      -0.1600    0.3600    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2407     -0.00000

 k-point   239 :       0.3600   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2407     -0.00000

 k-point   240 :      -0.1600    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2404     -0.00000

 k-point   241 :       0.4800   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2406     -0.00000

 k-point   242 :      -0.4400    0.1600    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65805
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   243 :       0.4000   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65805
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   244 :      -0.1600    0.4000    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65805
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   245 :       0.4000   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65805
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   246 :      -0.1600    0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65805
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   247 :       0.4400   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65805
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   248 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.4815      1.00000
      2      -8.1755      1.00000
      3      -5.8272      1.00000
      4      -2.8937      1.00000
      5       0.1524      1.00000
      6       2.3379     -0.00000
      7       2.4803     -0.00000
      8       3.5644     -0.00000
      9       3.7042     -0.00000
     10       4.6037     -0.00000
     11       5.6457     -0.00000
     12       6.1218     -0.00000

 k-point   249 :       0.2000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.4815      1.00000
      2      -8.1755      1.00000
      3      -5.8272      1.00000
      4      -2.8937      1.00000
      5       0.1524      1.00000
      6       2.3379     -0.00000
      7       2.4803     -0.00000
      8       3.5644     -0.00000
      9       3.7042     -0.00000
     10       4.6037     -0.00000
     11       5.6457     -0.00000
     12       6.1218     -0.00000

 k-point   250 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.4815      1.00000
      2      -8.1755      1.00000
      3      -5.8272      1.00000
      4      -2.8937      1.00000
      5       0.1524      1.00000
      6       2.3379     -0.00000
      7       2.4803     -0.00000
      8       3.5644     -0.00000
      9       3.7042     -0.00000
     10       4.6037     -0.00000
     11       5.6457     -0.00000
     12       6.1218     -0.00000

 k-point   251 :       0.4400    0.2000    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03319
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   252 :       0.2400    0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03319
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   253 :      -0.2000    0.2400    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03319
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   254 :       0.2400   -0.2000    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03319
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   255 :      -0.2000   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03319
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   256 :      -0.4400   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03319
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   257 :       0.4800    0.2000    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   258 :       0.2800    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   259 :      -0.2000    0.2800    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   260 :       0.2800   -0.2000    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   261 :      -0.2000   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   262 :      -0.4800   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   263 :      -0.4800    0.2000    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01958
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   264 :       0.3200   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01958
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   265 :      -0.2000    0.3200    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01958
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   266 :       0.3200   -0.2000    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01958
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   267 :      -0.2000    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01958
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   268 :       0.4800   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01958
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   269 :      -0.4400    0.2000    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8864      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   270 :       0.3600   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8864      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   271 :      -0.2000    0.3600    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8864      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   272 :       0.3600   -0.2000    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8864      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   273 :      -0.2000    0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8864      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   274 :       0.4400   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8864      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   275 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1      -4.7270      1.00000
      2      -4.6107      1.00000
      3      -3.4496      1.00000
      4      -3.3504      1.00000
      5      -1.4212      1.00000
      6      -0.4945      1.00000
      7       1.0153      0.85669
      8       1.4819     -0.01213
      9       2.5014     -0.00000
     10       3.1357     -0.00000
     11       4.6712     -0.00000
     12       5.0903     -0.00000

 k-point   276 :       0.4000   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.7270      1.00000
      2      -4.6107      1.00000
      3      -3.4496      1.00000
      4      -3.3504      1.00000
      5      -1.4212      1.00000
      6      -0.4945      1.00000
      7       1.0153      0.85670
      8       1.4819     -0.01213
      9       2.5014     -0.00000
     10       3.1357     -0.00000
     11       4.6712     -0.00000
     12       5.0902     -0.00000

 k-point   277 :      -0.2000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.7270      1.00000
      2      -4.6107      1.00000
      3      -3.4496      1.00000
      4      -3.3504      1.00000
      5      -1.4212      1.00000
      6      -0.4945      1.00000
      7       1.0153      0.85669
      8       1.4819     -0.01213
      9       2.5014     -0.00000
     10       3.1357     -0.00000
     11       4.6712     -0.00000
     12       5.0902     -0.00000

 k-point   278 :       0.4800    0.2400    0.0000
  band No.  band energies     occupation 
      1      -7.8947      1.00000
      2      -6.5868      1.00000
      3      -4.2456      1.00000
      4      -1.4381      1.00000
      5       0.2205      1.00000
      6       0.6040      1.00102
      7       1.5554     -0.00355
      8       1.9246     -0.00000
      9       2.3267     -0.00000
     10       3.7456     -0.00000
     11       4.6214     -0.00000
     12       5.6837     -0.00000

 k-point   279 :       0.2400    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.8947      1.00000
      2      -6.5868      1.00000
      3      -4.2456      1.00000
      4      -1.4381      1.00000
      5       0.2205      1.00000
      6       0.6040      1.00102
      7       1.5554     -0.00355
      8       1.9246     -0.00000
      9       2.3267     -0.00000
     10       3.7456     -0.00000
     11       4.6214     -0.00000
     12       5.6837     -0.00000

 k-point   280 :      -0.2400    0.2400    0.0000
  band No.  band energies     occupation 
      1      -7.8947      1.00000
      2      -6.5868      1.00000
      3      -4.2456      1.00000
      4      -1.4381      1.00000
      5       0.2205      1.00000
      6       0.6040      1.00102
      7       1.5554     -0.00355
      8       1.9246     -0.00000
      9       2.3267     -0.00000
     10       3.7456     -0.00000
     11       4.6214     -0.00000
     12       5.6837     -0.00000

 k-point   281 :      -0.4800    0.2400    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   282 :       0.2800   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   283 :      -0.2400    0.2800    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   284 :       0.2800   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   285 :      -0.2400    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   286 :       0.4800   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   287 :      -0.4400    0.2400    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75593
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   288 :       0.3200   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75592
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   289 :      -0.2400    0.3200    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75592
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   290 :       0.3200   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75592
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   291 :      -0.2400    0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75592
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   292 :       0.4400   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75593
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   293 :      -0.4000    0.2400    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1286      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   294 :       0.3600   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1287      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   295 :      -0.2400    0.3600    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1287      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   296 :       0.3600   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1286      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   297 :      -0.2400    0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1287      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   298 :       0.4000   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1286      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   299 :      -0.4400    0.2800    0.0000
  band No.  band energies     occupation 
      1      -6.0156      1.00000
      2      -4.7148      1.00000
      3      -2.4476      1.00000
      4      -1.3395      1.00000
      5      -1.2271      1.00000
      6      -0.3510      1.00000
      7       0.1344      1.00000
      8       1.0450      0.75407
      9       2.3133     -0.00000
     10       3.0603     -0.00000
     11       3.7807     -0.00000
     12       5.2647     -0.00000

 k-point   300 :       0.2800   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.0156      1.00000
      2      -4.7148      1.00000
      3      -2.4476      1.00000
      4      -1.3395      1.00000
      5      -1.2271      1.00000
      6      -0.3510      1.00000
      7       0.1344      1.00000
      8       1.0450      0.75413
      9       2.3133     -0.00000
     10       3.0603     -0.00000
     11       3.7807     -0.00000
     12       5.2852     -0.00000

 k-point   301 :      -0.2800    0.2800    0.0000
  band No.  band energies     occupation 
      1      -6.0156      1.00000
      2      -4.7148      1.00000
      3      -2.4476      1.00000
      4      -1.3395      1.00000
      5      -1.2271      1.00000
      6      -0.3510      1.00000
      7       0.1344      1.00000
      8       1.0450      0.75404
      9       2.3133     -0.00000
     10       3.0603     -0.00000
     11       3.7807     -0.00000
     12       5.2635     -0.00000

 k-point   302 :      -0.4000    0.2800    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03255
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   303 :       0.3200   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03255
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   304 :      -0.2800    0.3200    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03255
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   305 :       0.3200   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03255
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   306 :      -0.2800    0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03255
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   307 :       0.4000   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03255
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   308 :      -0.3600    0.2800    0.0000
  band No.  band energies     occupation 
      1      -3.8684      1.00000
      2      -3.7443      1.00000
      3      -2.6041      1.00000
      4      -2.5079      1.00000
      5      -1.4507      1.00000
      6      -0.7915      1.00000
      7       0.0228      1.00000
      8       0.2235      1.00000
      9       2.4421     -0.00000
     10       3.0303     -0.00000
     11       3.3820     -0.00000
     12       5.2378     -0.00000

 k-point   309 :       0.3600   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -3.8684      1.00000
      2      -3.7443      1.00000
      3      -2.6041      1.00000
      4      -2.5079      1.00000
      5      -1.4507      1.00000
      6      -0.7915      1.00000
      7       0.0228      1.00000
      8       0.2235      1.00000
      9       2.4421     -0.00000
     10       3.0303     -0.00000
     11       3.3820     -0.00000
     12       5.2378     -0.00000

 k-point   310 :      -0.2800    0.3600    0.0000
  band No.  band energies     occupation 
      1      -3.8684      1.00000
      2      -3.7443      1.00000
      3      -2.6041      1.00000
      4      -2.5079      1.00000
      5      -1.4507      1.00000
      6      -0.7915      1.00000
      7       0.0228      1.00000
      8       0.2235      1.00000
      9       2.4421     -0.00000
     10       3.0303     -0.00000
     11       3.3820     -0.00000
     12       5.2378     -0.00000

 k-point   311 :      -0.3600    0.3200    0.0000
  band No.  band energies     occupation 
      1      -3.8586      1.00000
      2      -2.7225      1.00000
      3      -2.6132      1.00000
      4      -2.5849      1.00000
      5      -1.5512      1.00000
      6      -1.4404      1.00000
      7      -0.2043      1.00000
      8       0.5661      1.00041
      9       1.8895     -0.00000
     10       3.0827     -0.00000
     11       4.0448     -0.00000
     12       4.3001     -0.00000

 k-point   312 :       0.3200   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -3.8586      1.00000
      2      -2.7225      1.00000
      3      -2.6132      1.00000
      4      -2.5849      1.00000
      5      -1.5512      1.00000
      6      -1.4404      1.00000
      7      -0.2043      1.00000
      8       0.5661      1.00041
      9       1.8895     -0.00000
     10       3.0827     -0.00000
     11       4.0448     -0.00000
     12       4.3001     -0.00000

 k-point   313 :      -0.3200    0.3200    0.0000
  band No.  band energies     occupation 
      1      -3.8586      1.00000
      2      -2.7225      1.00000
      3      -2.6132      1.00000
      4      -2.5849      1.00000
      5      -1.5512      1.00000
      6      -1.4404      1.00000
      7      -0.2043      1.00000
      8       0.5661      1.00041
      9       1.8895     -0.00000
     10       3.0827     -0.00000
     11       4.0448     -0.00000
     12       4.3001     -0.00000
 Fermi energy:         1.1065879328

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -13.0738      1.00000
      2     -11.7763      1.00000
      3      -9.4471      1.00000
      4      -6.5230      1.00000
      5      -3.2893      1.00000
      6       0.8881      1.03439
      7       3.3367     -0.00000
      8       4.3818     -0.00000
      9       5.1344     -0.00000
     10       6.7603      0.00000
     11       6.9815      0.00000
     12       9.8711      0.00000

 k-point     2 :       0.0400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -13.0260      1.00000
      2     -11.7284      1.00000
      3      -9.3989      1.00000
      4      -6.4740      1.00000
      5      -3.2416      1.00000
      6       0.9328      1.01487
      7       3.3772     -0.00000
      8       4.4214     -0.00000
      9       5.1734     -0.00000
     10       6.7977      0.00000
     11       7.0198      0.00000
     12       9.9007      0.00000

 k-point     3 :       0.0400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -13.0260      1.00000
      2     -11.7284      1.00000
      3      -9.3989      1.00000
      4      -6.4740      1.00000
      5      -3.2416      1.00000
      6       0.9328      1.01487
      7       3.3772     -0.00000
      8       4.4214     -0.00000
      9       5.1734     -0.00000
     10       6.7977      0.00000
     11       7.0198      0.00000
     12       9.9015      0.00000

 k-point     4 :       0.0000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -13.0260      1.00000
      2     -11.7284      1.00000
      3      -9.3989      1.00000
      4      -6.4740      1.00000
      5      -3.2416      1.00000
      6       0.9328      1.01487
      7       3.3772     -0.00000
      8       4.4214     -0.00000
      9       5.1734     -0.00000
     10       6.7977      0.00000
     11       7.0198      0.00000
     12       9.9010      0.00000

 k-point     5 :       0.0800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.8825      1.00000
      2     -11.5846      1.00000
      3      -9.2543      1.00000
      4      -6.3272      1.00000
      5      -3.0984      1.00000
      6       1.0661      0.70614
      7       3.4978     -0.00000
      8       4.5400     -0.00000
      9       5.2895     -0.00000
     10       6.9083      0.00000
     11       7.1337      0.00000
     12      10.3426      0.00000

 k-point     6 :       0.0800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.8825      1.00000
      2     -11.5846      1.00000
      3      -9.2543      1.00000
      4      -6.3272      1.00000
      5      -3.0984      1.00000
      6       1.0661      0.70614
      7       3.4978     -0.00000
      8       4.5400     -0.00000
      9       5.2895     -0.00000
     10       6.9083      0.00000
     11       7.1337      0.00000
     12      10.3426      0.00000

 k-point     7 :       0.0000    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.8825      1.00000
      2     -11.5846      1.00000
      3      -9.2543      1.00000
      4      -6.3272      1.00000
      5      -3.0984      1.00000
      6       1.0661      0.70614
      7       3.4978     -0.00000
      8       4.5400     -0.00000
      9       5.2895     -0.00000
     10       6.9083      0.00000
     11       7.1337      0.00000
     12      10.3426      0.00000

 k-point     8 :       0.1200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.6434      1.00000
      2     -11.3451      1.00000
      3      -9.0133      1.00000
      4      -6.0826      1.00000
      5      -2.8599      1.00000
      6       1.2848     -0.00067
      7       3.6966     -0.00000
      8       4.7363     -0.00000
      9       5.4805     -0.00000
     10       7.0821      0.00000
     11       7.3174      0.00000
     12       9.2989      0.00000

 k-point     9 :       0.1200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.6434      1.00000
      2     -11.3451      1.00000
      3      -9.0133      1.00000
      4      -6.0826      1.00000
      5      -2.8599      1.00000
      6       1.2848     -0.00067
      7       3.6966     -0.00000
      8       4.7363     -0.00000
      9       5.4805     -0.00000
     10       7.0821      0.00000
     11       7.3174      0.00000
     12       9.2989      0.00000

 k-point    10 :       0.0000    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.6434      1.00000
      2     -11.3451      1.00000
      3      -9.0133      1.00000
      4      -6.0826      1.00000
      5      -2.8599      1.00000
      6       1.2848     -0.00067
      7       3.6966     -0.00000
      8       4.7363     -0.00000
      9       5.4805     -0.00000
     10       7.0821      0.00000
     11       7.3174      0.00000
     12       9.2989      0.00000

 k-point    11 :       0.1600    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.3086      1.00000
      2     -11.0095      1.00000
      3      -8.6757      1.00000
      4      -5.7405      1.00000
      5      -2.5266      1.00000
      6       1.5837     -0.00226
      7       3.9674     -0.00000
      8       5.0065     -0.00000
      9       5.7345     -0.00000
     10       7.1642      0.00000
     11       7.5252      0.00000
     12       7.9998      0.00000

 k-point    12 :       0.1600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.3086      1.00000
      2     -11.0095      1.00000
      3      -8.6757      1.00000
      4      -5.7405      1.00000
      5      -2.5266      1.00000
      6       1.5837     -0.00226
      7       3.9674     -0.00000
      8       5.0065     -0.00000
      9       5.7345     -0.00000
     10       7.1642      0.00000
     11       7.5252      0.00000
     12       7.9998      0.00000

 k-point    13 :       0.0000    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.3086      1.00000
      2     -11.0095      1.00000
      3      -8.6757      1.00000
      4      -5.7405      1.00000
      5      -2.5266      1.00000
      6       1.5837     -0.00226
      7       3.9674     -0.00000
      8       5.0065     -0.00000
      9       5.7345     -0.00000
     10       7.1642      0.00000
     11       7.5252      0.00000
     12       7.9998      0.00000

 k-point    14 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.8779      1.00000
      2     -10.5779      1.00000
      3      -8.2413      1.00000
      4      -5.3011      1.00000
      5      -2.0994      1.00000
      6       1.9521     -0.00000
      7       4.2780     -0.00000
      8       5.2989     -0.00000
      9       5.7864     -0.00000
     10       6.3168     -0.00000
     11       6.9607      0.00000
     12       8.2773      0.00000

 k-point    15 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.8779      1.00000
      2     -10.5779      1.00000
      3      -8.2413      1.00000
      4      -5.3011      1.00000
      5      -2.0994      1.00000
      6       1.9521     -0.00000
      7       4.2780     -0.00000
      8       5.2989     -0.00000
      9       5.7864     -0.00000
     10       6.3168     -0.00000
     11       6.9607      0.00000
     12       8.2774      0.00000

 k-point    16 :       0.0000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.8779      1.00000
      2     -10.5779      1.00000
      3      -8.2413      1.00000
      4      -5.3011      1.00000
      5      -2.0994      1.00000
      6       1.9521     -0.00000
      7       4.2780     -0.00000
      8       5.2989     -0.00000
      9       5.7864     -0.00000
     10       6.3168     -0.00000
     11       6.9607      0.00000
     12       8.2774      0.00000

 k-point    17 :       0.2400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.3514      1.00000
      2     -10.0501      1.00000
      3      -7.7101      1.00000
      4      -4.7653      1.00000
      5      -1.5819      1.00000
      6       2.3463     -0.00000
      7       4.0187     -0.00000
      8       4.9620     -0.00000
      9       5.3723     -0.00000
     10       5.8517     -0.00000
     11       6.5803      0.00000
     12       7.4436      0.00000

 k-point    18 :       0.2400    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.3514      1.00000
      2     -10.0501      1.00000
      3      -7.7101      1.00000
      4      -4.7653      1.00000
      5      -1.5819      1.00000
      6       2.3463     -0.00000
      7       4.0187     -0.00000
      8       4.9620     -0.00000
      9       5.3723     -0.00000
     10       5.8517     -0.00000
     11       6.5827      0.00000
     12       7.5139      0.00000

 k-point    19 :       0.0000    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.3514      1.00000
      2     -10.0501      1.00000
      3      -7.7101      1.00000
      4      -4.7653      1.00000
      5      -1.5819      1.00000
      6       2.3463     -0.00000
      7       4.0187     -0.00000
      8       4.9620     -0.00000
      9       5.3723     -0.00000
     10       5.8517     -0.00000
     11       6.6032      0.00000
     12       7.9210      0.00000

 k-point    20 :       0.2800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4257      1.00000
      3      -7.0820      1.00000
      4      -4.1356      1.00000
      5      -0.9855      1.00000
      6       2.1945     -0.00000
      7       3.1408     -0.00000
      8       3.9021     -0.00000
      9       5.3270     -0.00000
     10       5.9124     -0.00000
     11       6.3439     -0.00000
     12       8.7754      0.00000

 k-point    21 :       0.2800    0.2800    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4257      1.00000
      3      -7.0820      1.00000
      4      -4.1356      1.00000
      5      -0.9855      1.00000
      6       2.1945     -0.00000
      7       3.1408     -0.00000
      8       3.9021     -0.00000
      9       5.3270     -0.00000
     10       5.9124     -0.00000
     11       6.3438     -0.00000
     12       8.7992      0.00000

 k-point    22 :       0.0000    0.2800    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4257      1.00000
      3      -7.0820      1.00000
      4      -4.1356      1.00000
      5      -0.9855      1.00000
      6       2.1945     -0.00000
      7       3.1408     -0.00000
      8       3.9021     -0.00000
      9       5.3270     -0.00000
     10       5.9124     -0.00000
     11       6.3438     -0.00000
     12       8.8062      0.00000

 k-point    23 :       0.3200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0094      1.00000
      2      -8.7044      1.00000
      3      -6.3576      1.00000
      4      -3.4195      1.00000
      5      -0.3866      1.00000
      6       0.9054      1.02742
      7       2.1500     -0.00000
      8       3.8027     -0.00000
      9       4.3570     -0.00000
     10       5.9802     -0.00000
     11       6.9480      0.00000
     12       8.7525      0.00000

 k-point    24 :       0.3200    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.0094      1.00000
      2      -8.7044      1.00000
      3      -6.3576      1.00000
      4      -3.4195      1.00000
      5      -0.3866      1.00000
      6       0.9054      1.02742
      7       2.1500     -0.00000
      8       3.8027     -0.00000
      9       4.3570     -0.00000
     10       5.9802     -0.00000
     11       6.9480      0.00000
     12       8.6592      0.00000

 k-point    25 :       0.0000    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.0094      1.00000
      2      -8.7044      1.00000
      3      -6.3576      1.00000
      4      -3.4195      1.00000
      5      -0.3866      1.00000
      6       0.9054      1.02742
      7       2.1500     -0.00000
      8       3.8027     -0.00000
      9       4.3570     -0.00000
     10       5.9802     -0.00000
     11       6.9480      0.00000
     12       8.7476      0.00000

 k-point    26 :       0.3600    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.1932      1.00000
      2      -7.8862      1.00000
      3      -5.5387      1.00000
      4      -2.6489      1.00000
      5      -0.8452      1.00000
      6       0.4092      1.00000
      7       0.9793      0.94479
      8       2.9108     -0.00000
      9       4.4261     -0.00000
     10       5.6244     -0.00000
     11       6.6298      0.00000
     12       8.4711      0.00000

 k-point    27 :       0.3600    0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.1932      1.00000
      2      -7.8862      1.00000
      3      -5.5387      1.00000
      4      -2.6489      1.00000
      5      -0.8452      1.00000
      6       0.4092      1.00000
      7       0.9793      0.94479
      8       2.9108     -0.00000
      9       4.4261     -0.00000
     10       5.6244     -0.00000
     11       6.6298      0.00000
     12       8.4711      0.00000

 k-point    28 :       0.0000    0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.1932      1.00000
      2      -7.8862      1.00000
      3      -5.5387      1.00000
      4      -2.6489      1.00000
      5      -0.8452      1.00000
      6       0.4092      1.00000
      7       0.9793      0.94479
      8       2.9108     -0.00000
      9       4.4261     -0.00000
     10       5.6244     -0.00000
     11       6.6298      0.00000
     12       8.4711      0.00000

 k-point    29 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.2797      1.00000
      2      -6.9714      1.00000
      3      -4.6325      1.00000
      4      -2.4109      1.00000
      5      -1.7378      1.00000
      6      -0.6282      1.00000
      7       1.3753     -0.03400
      8       1.7185     -0.00008
      9       4.2260     -0.00000
     10       5.2574     -0.00000
     11       6.9382      0.00000
     12       8.2406      0.00000

 k-point    30 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.2797      1.00000
      2      -6.9714      1.00000
      3      -4.6325      1.00000
      4      -2.4109      1.00000
      5      -1.7378      1.00000
      6      -0.6282      1.00000
      7       1.3753     -0.03400
      8       1.7185     -0.00008
      9       4.2260     -0.00000
     10       5.2574     -0.00000
     11       6.9382      0.00000
     12       8.2406      0.00000

 k-point    31 :       0.0000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.2797      1.00000
      2      -6.9714      1.00000
      3      -4.6325      1.00000
      4      -2.4109      1.00000
      5      -1.7378      1.00000
      6      -0.6282      1.00000
      7       1.3753     -0.03400
      8       1.7185     -0.00008
      9       4.2260     -0.00000
     10       5.2574     -0.00000
     11       6.9382      0.00000
     12       8.2406      0.00000

 k-point    32 :       0.4400    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.2688      1.00000
      2      -5.9621      1.00000
      3      -3.7304      1.00000
      4      -3.6199      1.00000
      5      -2.3577      1.00000
      6      -0.5276      1.00000
      7       0.2731      1.00000
      8       2.5012     -0.00000
      9       3.0042     -0.00000
     10       5.7267     -0.00000
     11       6.1044     -0.00000
     12       8.0864      0.00000

 k-point    33 :       0.4400    0.4400    0.0000
  band No.  band energies     occupation 
      1      -7.2688      1.00000
      2      -5.9621      1.00000
      3      -3.7304      1.00000
      4      -3.6199      1.00000
      5      -2.3577      1.00000
      6      -0.5276      1.00000
      7       0.2731      1.00000
      8       2.5012     -0.00000
      9       3.0042     -0.00000
     10       5.7267     -0.00000
     11       6.1044     -0.00000
     12       8.0864      0.00000

 k-point    34 :       0.0000    0.4400    0.0000
  band No.  band energies     occupation 
      1      -7.2688      1.00000
      2      -5.9621      1.00000
      3      -3.7304      1.00000
      4      -3.6199      1.00000
      5      -2.3577      1.00000
      6      -0.5276      1.00000
      7       0.2731      1.00000
      8       2.5012     -0.00000
      9       3.0042     -0.00000
     10       5.7267     -0.00000
     11       6.1044     -0.00000
     12       8.0864      0.00000

 k-point    35 :       0.4800    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.1628      1.00000
      2      -4.9647      1.00000
      3      -4.8585      1.00000
      4      -3.7187      1.00000
      5      -2.5228      1.00000
      6      -1.0813      1.00000
      7       0.6358      1.00207
      8       1.8192     -0.00000
      9       3.4816     -0.00000
     10       4.6728     -0.00000
     11       6.8987      0.00000
     12       8.0092      0.00000

 k-point    36 :       0.4800    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.1628      1.00000
      2      -4.9647      1.00000
      3      -4.8585      1.00000
      4      -3.7187      1.00000
      5      -2.5228      1.00000
      6      -1.0813      1.00000
      7       0.6358      1.00207
      8       1.8192     -0.00000
      9       3.4816     -0.00000
     10       4.6728     -0.00000
     11       6.8987      0.00000
     12       8.0092      0.00000

 k-point    37 :       0.0000    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.1628      1.00000
      2      -4.9647      1.00000
      3      -4.8585      1.00000
      4      -3.7187      1.00000
      5      -2.5228      1.00000
      6      -1.0813      1.00000
      7       0.6358      1.00207
      8       1.8192     -0.00000
      9       3.4816     -0.00000
     10       4.6728     -0.00000
     11       6.8987      0.00000
     12       8.0092      0.00000

 k-point    38 :       0.0800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.9304      1.00000
      2     -11.6325      1.00000
      3      -9.3025      1.00000
      4      -6.3761      1.00000
      5      -3.1461      1.00000
      6       1.0218      0.85566
      7       3.4577     -0.00000
      8       4.5005     -0.00000
      9       5.2509     -0.00000
     10       6.8718      0.00000
     11       7.0960      0.00000
     12      10.0175      0.00000

 k-point    39 :       0.0400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.9304      1.00000
      2     -11.6325      1.00000
      3      -9.3025      1.00000
      4      -6.3761      1.00000
      5      -3.1461      1.00000
      6       1.0218      0.85567
      7       3.4577     -0.00000
      8       4.5005     -0.00000
      9       5.2509     -0.00000
     10       6.8718      0.00000
     11       7.0959      0.00000
     12      10.0736      0.00000

 k-point    40 :      -0.0400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.9304      1.00000
      2     -11.6325      1.00000
      3      -9.3025      1.00000
      4      -6.3761      1.00000
      5      -3.1461      1.00000
      6       1.0218      0.85566
      7       3.4577     -0.00000
      8       4.5005     -0.00000
      9       5.2509     -0.00000
     10       6.8718      0.00000
     11       7.0959      0.00000
     12      10.0318      0.00000

 k-point    41 :       0.1200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18406
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0050      0.00000

 k-point    42 :       0.0800    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18406
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0050      0.00000

 k-point    43 :      -0.0400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18406
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0050      0.00000

 k-point    44 :       0.0800   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18406
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0050      0.00000

 k-point    45 :      -0.0400   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18406
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0050      0.00000

 k-point    46 :      -0.1200   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.7391      1.00000
      2     -11.4409      1.00000
      3      -9.1097      1.00000
      4      -6.1804      1.00000
      5      -2.9553      1.00000
      6       1.1978      0.18406
      7       3.6175     -0.00000
      8       4.6580     -0.00000
      9       5.4047     -0.00000
     10       7.0158      0.00000
     11       7.2455      0.00000
     12      10.0050      0.00000

 k-point    47 :       0.1600    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4568     -0.01821
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.1999      0.00000
     11       7.4526      0.00000
     12       8.7181      0.00000

 k-point    48 :       0.1200    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4568     -0.01821
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.1999      0.00000
     11       7.4525      0.00000
     12       8.6909      0.00000

 k-point    49 :      -0.0400    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4568     -0.01821
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.1999      0.00000
     11       7.4526      0.00000
     12       8.7186      0.00000

 k-point    50 :       0.1200   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4568     -0.01821
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.1999      0.00000
     11       7.4526      0.00000
     12       8.7373      0.00000

 k-point    51 :      -0.0400   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4568     -0.01821
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.1999      0.00000
     11       7.4526      0.00000
     12       8.7178      0.00000

 k-point    52 :      -0.1600   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.4521      1.00000
      2     -11.1533      1.00000
      3      -8.8204      1.00000
      4      -5.8871      1.00000
      5      -2.6693      1.00000
      6       1.4568     -0.01821
      7       3.8531     -0.00000
      8       4.8920     -0.00000
      9       5.6298     -0.00000
     10       7.1999      0.00000
     11       7.4526      0.00000
     12       8.7198      0.00000

 k-point    53 :       0.2000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6345      0.00000
     12       7.7114      0.00000

 k-point    54 :       0.1600    0.2000    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6345      0.00000
     12       7.7114      0.00000

 k-point    55 :      -0.0400    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6345      0.00000
     12       7.7114      0.00000

 k-point    56 :       0.1600   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6345      0.00000
     12       7.7114      0.00000

 k-point    57 :      -0.0400   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6345      0.00000
     12       7.7114      0.00000

 k-point    58 :      -0.2000   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.0693      1.00000
      2     -10.7698      1.00000
      3      -8.4344      1.00000
      4      -5.4963      1.00000
      5      -2.2890      1.00000
      6       1.7918     -0.00001
      7       4.1522     -0.00000
      8       5.1917     -0.00000
      9       5.8845     -0.00000
     10       6.7601      0.00000
     11       7.6345      0.00000
     12       7.7114      0.00000

 k-point    59 :       0.2400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3813     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1942     -0.00000
     11       6.4223     -0.00000
     12       8.2243      0.00000

 k-point    60 :       0.2000    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3813     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1942     -0.00000
     11       6.4223     -0.00000
     12       8.2245      0.00000

 k-point    61 :      -0.0400    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3813     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1942     -0.00000
     11       6.4223     -0.00000
     12       8.2246      0.00000

 k-point    62 :       0.2000   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3813     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1942     -0.00000
     11       6.4223     -0.00000
     12       8.2246      0.00000

 k-point    63 :      -0.0400   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3813     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1942     -0.00000
     11       6.4223     -0.00000
     12       8.2246      0.00000

 k-point    64 :      -0.2400   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.5908      1.00000
      2     -10.2901      1.00000
      3      -7.9516      1.00000
      4      -5.0086      1.00000
      5      -1.8161      1.00000
      6       2.1837     -0.00000
      7       4.3813     -0.00000
      8       5.1353     -0.00000
      9       5.6855     -0.00000
     10       6.1942     -0.00000
     11       6.4223     -0.00000
     12       8.2245      0.00000

 k-point    65 :       0.2800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6025      0.00000
     12       7.0961      0.00000

 k-point    66 :       0.2400    0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6025      0.00000
     12       7.0958      0.00000

 k-point    67 :      -0.0400    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6025      0.00000
     12       7.0958      0.00000

 k-point    68 :       0.2400   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6025      0.00000
     12       7.0958      0.00000

 k-point    69 :      -0.0400   -0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6025      0.00000
     12       7.0958      0.00000

 k-point    70 :      -0.2800   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.0161      1.00000
      2      -9.7139      1.00000
      3      -7.3720      1.00000
      4      -4.4255      1.00000
      5      -1.2568      1.00000
      6       2.4880     -0.00000
      7       3.4740     -0.00000
      8       4.6273     -0.00000
      9       5.1537     -0.00000
     10       6.1089     -0.00000
     11       6.6025      0.00000
     12       7.0958      0.00000

 k-point    71 :       0.3200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0815     -0.00000
     10       5.7373     -0.00000
     11       6.6877      0.00000
     12       7.6219      0.00000

 k-point    72 :       0.2800    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0815     -0.00000
     10       5.7373     -0.00000
     11       6.6877      0.00000
     12       7.6219      0.00000

 k-point    73 :      -0.0400    0.2800    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0815     -0.00000
     10       5.7373     -0.00000
     11       6.6877      0.00000
     12       7.6219      0.00000

 k-point    74 :       0.2800   -0.0400    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0815     -0.00000
     10       5.7373     -0.00000
     11       6.6877      0.00000
     12       7.6219      0.00000

 k-point    75 :      -0.0400   -0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0815     -0.00000
     10       5.7373     -0.00000
     11       6.6877      0.00000
     12       7.6219      0.00000

 k-point    76 :      -0.3200   -0.2800    0.0000
  band No.  band energies     occupation 
      1     -10.3452      1.00000
      2      -9.0411      1.00000
      3      -6.6956      1.00000
      4      -3.7513      1.00000
      5      -0.6369      1.00000
      6       1.6042     -0.00133
      7       2.8463     -0.00000
      8       3.6492     -0.00000
      9       5.0815     -0.00000
     10       5.7373     -0.00000
     11       6.6877      0.00000
     12       7.6219      0.00000

 k-point    77 :       0.3600    0.0400    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3402     -0.00000
     12       7.4449      0.00000

 k-point    78 :       0.3200    0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3401     -0.00000
     12       7.4449      0.00000

 k-point    79 :      -0.0400    0.3200    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3402     -0.00000
     12       7.4449      0.00000

 k-point    80 :       0.3200   -0.0400    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3402     -0.00000
     12       7.4449      0.00000

 k-point    81 :      -0.0400   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3402     -0.00000
     12       7.4448      0.00000

 k-point    82 :      -0.3600   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -9.5775      1.00000
      2      -8.2714      1.00000
      3      -5.9236      1.00000
      4      -3.0004      1.00000
      5      -0.3130      1.00000
      6       0.5073      1.00009
      7       1.4935     -0.01045
      8       3.6424     -0.00000
      9       4.1377     -0.00000
     10       6.2376     -0.00000
     11       6.3401     -0.00000
     12       7.4449      0.00000

 k-point    83 :       0.4000    0.0400    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2756      1.00000
      5      -1.4289      1.00000
      6      -0.0529      1.00000
      7       1.1888      0.19463
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1198     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    84 :       0.3600    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2755      1.00000
      5      -1.4289      1.00000
      6      -0.0529      1.00000
      7       1.1888      0.19463
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1198     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    85 :      -0.0400    0.3600    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2756      1.00000
      5      -1.4289      1.00000
      6      -0.0529      1.00000
      7       1.1888      0.19463
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1198     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    86 :       0.3600   -0.0400    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2756      1.00000
      5      -1.4289      1.00000
      6      -0.0529      1.00000
      7       1.1888      0.19463
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1198     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    87 :      -0.0400   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2756      1.00000
      5      -1.4289      1.00000
      6      -0.0529      1.00000
      7       1.1888      0.19463
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1198     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    88 :      -0.4000   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -8.7126      1.00000
      2      -7.4048      1.00000
      3      -5.0596      1.00000
      4      -2.2755      1.00000
      5      -1.4289      1.00000
      6      -0.0529      1.00000
      7       1.1888      0.19463
      8       2.2561     -0.00000
      9       4.6634     -0.00000
     10       5.1198     -0.00000
     11       6.9082      0.00000
     12       7.3352      0.00000

 k-point    89 :       0.4400    0.0400    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    90 :       0.4000    0.4400    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    91 :      -0.0400    0.4000    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    92 :       0.4000   -0.0400    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    93 :      -0.0400   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    94 :      -0.4400   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -7.7503      1.00000
      2      -6.4422      1.00000
      3      -4.1192      1.00000
      4      -2.9802      1.00000
      5      -1.8394      1.00000
      6      -0.7464      1.00000
      7       0.8691      1.03539
      8       2.0784     -0.00000
      9       3.6369     -0.00000
     10       5.6219     -0.00000
     11       6.3666     -0.00000
     12       7.1613      0.00000

 k-point    95 :       0.4800    0.0400    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5702      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point    96 :       0.4400    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5702      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point    97 :      -0.0400    0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5702      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point    98 :       0.4400   -0.0400    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5702      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point    99 :      -0.0400   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5702      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point   100 :      -0.4800   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.6911      1.00000
      2      -5.3882      1.00000
      3      -4.2907      1.00000
      4      -3.3153      1.00000
      5      -2.7343      1.00000
      6      -0.5702      1.00000
      7       0.2372      1.00000
      8       2.4153     -0.00000
      9       3.0287     -0.00000
     10       5.2230     -0.00000
     11       6.4040     -0.00000
     12       7.1189      0.00000

 k-point   101 :      -0.4800    0.0400    0.0000
  band No.  band energies     occupation 
      1      -5.5902      1.00000
      2      -5.4804      1.00000
      3      -4.3069      1.00000
      4      -4.2005      1.00000
      5      -2.2361      1.00000
      6      -1.3303      1.00000
      7       1.0321      0.79764
      8       1.4515     -0.01836
      9       3.8366     -0.00000
     10       4.3555     -0.00000
     11       6.8184      0.00000
     12       7.1661      0.00000

 k-point   102 :       0.4800   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -5.5902      1.00000
      2      -5.4804      1.00000
      3      -4.3069      1.00000
      4      -4.2005      1.00000
      5      -2.2361      1.00000
      6      -1.3303      1.00000
      7       1.0321      0.79765
      8       1.4515     -0.01836
      9       3.8366     -0.00000
     10       4.3555     -0.00000
     11       6.8184      0.00000
     12       7.1661      0.00000

 k-point   103 :      -0.0400    0.4800    0.0000
  band No.  band energies     occupation 
      1      -5.5902      1.00000
      2      -5.4804      1.00000
      3      -4.3069      1.00000
      4      -4.2005      1.00000
      5      -2.2361      1.00000
      6      -1.3303      1.00000
      7       1.0321      0.79764
      8       1.4515     -0.01836
      9       3.8366     -0.00000
     10       4.3555     -0.00000
     11       6.8184      0.00000
     12       7.1661      0.00000

 k-point   104 :       0.1600    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.4999      1.00000
      2     -11.2013      1.00000
      3      -8.8686      1.00000
      4      -5.9360      1.00000
      5      -2.7169      1.00000
      6       1.4142     -0.02791
      7       3.8146     -0.00000
      8       4.8535     -0.00000
      9       5.5938     -0.00000
     10       7.1833      0.00000
     11       7.4230      0.00000
     12       9.3725      0.00000

 k-point   105 :       0.0800    0.1600    0.0000
  band No.  band energies     occupation 
      1     -12.4999      1.00000
      2     -11.2013      1.00000
      3      -8.8686      1.00000
      4      -5.9360      1.00000
      5      -2.7169      1.00000
      6       1.4142     -0.02791
      7       3.8146     -0.00000
      8       4.8535     -0.00000
      9       5.5938     -0.00000
     10       7.1833      0.00000
     11       7.4230      0.00000
     12       9.3716      0.00000

 k-point   106 :      -0.0800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.4999      1.00000
      2     -11.2013      1.00000
      3      -8.8686      1.00000
      4      -5.9360      1.00000
      5      -2.7169      1.00000
      6       1.4142     -0.02791
      7       3.8146     -0.00000
      8       4.8535     -0.00000
      9       5.5938     -0.00000
     10       7.1833      0.00000
     11       7.4230      0.00000
     12       9.3725      0.00000

 k-point   107 :       0.2000    0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5940      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2717      0.00000
     11       7.5882      0.00000
     12       8.1209      0.00000

 k-point   108 :       0.1200    0.2000    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5940      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2717      0.00000
     11       7.5882      0.00000
     12       8.1209      0.00000

 k-point   109 :      -0.0800    0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5940      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2717      0.00000
     11       7.5882      0.00000
     12       8.1209      0.00000

 k-point   110 :       0.1200   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5940      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2717      0.00000
     11       7.5882      0.00000
     12       8.1209      0.00000

 k-point   111 :      -0.0800   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5940      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2717      0.00000
     11       7.5882      0.00000
     12       8.1209      0.00000

 k-point   112 :      -0.2000   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -12.1650      1.00000
      2     -10.8657      1.00000
      3      -8.5309      1.00000
      4      -5.5940      1.00000
      5      -2.3839      1.00000
      6       1.7102     -0.00011
      7       4.0827     -0.00000
      8       5.1222     -0.00000
      9       5.8439     -0.00000
     10       7.2717      0.00000
     11       7.5882      0.00000
     12       8.1209      0.00000

 k-point   113 :       0.2400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4228     -0.00000
     11       7.0689      0.00000
     12       7.9346      0.00000

 k-point   114 :       0.1600    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4228     -0.00000
     11       7.0689      0.00000
     12       7.9339      0.00000

 k-point   115 :      -0.0800    0.1600    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4228     -0.00000
     11       7.0689      0.00000
     12       7.9313      0.00000

 k-point   116 :       0.1600   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4228     -0.00000
     11       7.0689      0.00000
     12       7.9340      0.00000

 k-point   117 :      -0.0800   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4228     -0.00000
     11       7.0689      0.00000
     12       7.9302      0.00000

 k-point   118 :      -0.2400   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -11.7344      1.00000
      2     -10.4340      1.00000
      3      -8.0965      1.00000
      4      -5.1548      1.00000
      5      -1.9572      1.00000
      6       2.0751     -0.00000
      7       4.3893     -0.00000
      8       5.4144     -0.00000
      9       5.8954     -0.00000
     10       6.4228     -0.00000
     11       7.0689      0.00000
     12       7.9344      0.00000

 k-point   119 :       0.2800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9524     -0.00000
     11       6.6985      0.00000
     12       7.4197      0.00000

 k-point   120 :       0.2000    0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9524     -0.00000
     11       6.6972      0.00000
     12       7.4157      0.00000

 k-point   121 :      -0.0800    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9524     -0.00000
     11       6.6973      0.00000
     12       7.4158      0.00000

 k-point   122 :       0.2000   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9524     -0.00000
     11       6.6973      0.00000
     12       7.4158      0.00000

 k-point   123 :      -0.0800   -0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9524     -0.00000
     11       6.6974      0.00000
     12       7.4156      0.00000

 k-point   124 :      -0.2800   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.2077      1.00000
      2      -9.9061      1.00000
      3      -7.5653      1.00000
      4      -4.6194      1.00000
      5      -1.4406      1.00000
      6       2.4664     -0.00000
      7       4.1382     -0.00000
      8       5.0671     -0.00000
      9       5.4890     -0.00000
     10       5.9524     -0.00000
     11       6.6971      0.00000
     12       7.4157      0.00000

 k-point   125 :       0.3200    0.0800    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4816     -0.00000
     12       7.4548      0.00000

 k-point   126 :       0.2400    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4816     -0.00000
     12       7.4548      0.00000

 k-point   127 :      -0.0800    0.2400    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4816     -0.00000
     12       7.4549      0.00000

 k-point   128 :       0.2400   -0.0800    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4816     -0.00000
     12       7.4548      0.00000

 k-point   129 :      -0.0800   -0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4816     -0.00000
     12       7.4548      0.00000

 k-point   130 :      -0.3200   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -10.5849      1.00000
      2      -9.2816      1.00000
      3      -6.9372      1.00000
      4      -3.9906      1.00000
      5      -0.8459      1.00000
      6       2.3264     -0.00000
      7       3.2548     -0.00000
      8       4.0169     -0.00000
      9       5.4159     -0.00000
     10       5.9882     -0.00000
     11       6.4816     -0.00000
     12       7.4548      0.00000

 k-point   131 :       0.3600    0.0800    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76806
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0423      0.00000

 k-point   132 :       0.2800    0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76806
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0423      0.00000

 k-point   133 :      -0.0800    0.2800    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76806
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0423      0.00000

 k-point   134 :       0.2800   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76806
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0423      0.00000

 k-point   135 :      -0.0800   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76806
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0423      0.00000

 k-point   136 :      -0.3600   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -9.8655      1.00000
      2      -8.5602      1.00000
      3      -6.2129      1.00000
      4      -3.2760      1.00000
      5      -0.2494      1.00000
      6       1.0428      0.76806
      7       2.2814     -0.00000
      8       3.8904     -0.00000
      9       4.4644     -0.00000
     10       5.9493     -0.00000
     11       6.4764     -0.00000
     12       7.0423      0.00000

 k-point   137 :       0.4000    0.0800    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49400
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4014      0.00000

 k-point   138 :       0.3200    0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49400
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4014      0.00000

 k-point   139 :      -0.0800    0.3200    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49400
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4015      0.00000

 k-point   140 :       0.3200   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49400
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4014      0.00000

 k-point   141 :      -0.0800   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49400
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4014      0.00000

 k-point   142 :      -0.4000   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -9.0491      1.00000
      2      -7.7419      1.00000
      3      -5.3944      1.00000
      4      -2.5081      1.00000
      5      -0.7047      1.00000
      6       0.5452      1.00025
      7       1.1125      0.49400
      8       3.0325     -0.00000
      9       4.4688     -0.00000
     10       5.6046     -0.00000
     11       6.1449     -0.00000
     12       7.4014      0.00000

 k-point   143 :       0.4400    0.0800    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5979      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0717      0.00000

 k-point   144 :       0.3600    0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5979      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0717      0.00000

 k-point   145 :      -0.0800    0.3600    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5979      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0717      0.00000

 k-point   146 :       0.3600   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5979      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0717      0.00000

 k-point   147 :      -0.0800   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5979      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0717      0.00000

 k-point   148 :      -0.4400   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -8.1353      1.00000
      2      -6.8271      1.00000
      3      -4.4891      1.00000
      4      -2.2708      1.00000
      5      -1.5979      1.00000
      6      -0.4879      1.00000
      7       1.5005     -0.00922
      8       1.8484     -0.00000
      9       4.2750     -0.00000
     10       5.2281     -0.00000
     11       5.9821     -0.00000
     12       7.0717      0.00000

 k-point   149 :       0.4800    0.0800    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   150 :       0.4000    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   151 :      -0.0800    0.4000    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   152 :       0.4000   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   153 :      -0.0800   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   154 :      -0.4800   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -7.1242      1.00000
      2      -5.8180      1.00000
      3      -3.5894      1.00000
      4      -3.4759      1.00000
      5      -2.2167      1.00000
      6      -0.3904      1.00000
      7       0.4048      1.00000
      8       2.6159     -0.00000
      9       3.1009     -0.00000
     10       5.4830     -0.00000
     11       5.8121     -0.00000
     12       6.4546     -0.00000

 k-point   155 :      -0.4800    0.0800    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   156 :       0.4400   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   157 :      -0.0800    0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   158 :       0.4400   -0.0800    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   159 :      -0.0800    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   160 :       0.4800   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.0182      1.00000
      2      -4.8195      1.00000
      3      -4.7159      1.00000
      4      -3.5772      1.00000
      5      -2.3827      1.00000
      6      -0.9403      1.00000
      7       0.7608      1.01681
      8       1.9312     -0.00000
      9       3.5783     -0.00000
     10       4.7543     -0.00000
     11       5.6122     -0.00000
     12       6.6823      0.00000

 k-point   161 :       0.2400    0.1200    0.0000
  band No.  band energies     occupation 
      1     -11.7822      1.00000
      2     -10.4820      1.00000
      3      -8.1448      1.00000
      4      -5.2035      1.00000
      5      -2.0044      1.00000
      6       2.0376     -0.00000
      7       4.3703     -0.00000
      8       5.4138     -0.00000
      9       6.0654     -0.00000
     10       6.9843      0.00000
     11       7.2845      0.00000
     12       7.9126      0.00000

 k-point   162 :       0.1200    0.2400    0.0000
  band No.  band energies     occupation 
      1     -11.7822      1.00000
      2     -10.4820      1.00000
      3      -8.1448      1.00000
      4      -5.2035      1.00000
      5      -2.0044      1.00000
      6       2.0376     -0.00000
      7       4.3703     -0.00000
      8       5.4138     -0.00000
      9       6.0654     -0.00000
     10       6.9843      0.00000
     11       7.2845      0.00000
     12       7.9126      0.00000

 k-point   163 :      -0.1200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -11.7822      1.00000
      2     -10.4820      1.00000
      3      -8.1448      1.00000
      4      -5.2035      1.00000
      5      -2.0044      1.00000
      6       2.0376     -0.00000
      7       4.3703     -0.00000
      8       5.4138     -0.00000
      9       6.0654     -0.00000
     10       6.9843      0.00000
     11       7.2845      0.00000
     12       7.9126      0.00000

 k-point   164 :       0.2800    0.1200    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3120     -0.00000
     11       6.4495     -0.00000
     12       7.1851      0.00000

 k-point   165 :       0.1600    0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3120     -0.00000
     11       6.4495     -0.00000
     12       7.1859      0.00000

 k-point   166 :      -0.1200    0.1600    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3120     -0.00000
     11       6.4495     -0.00000
     12       7.1848      0.00000

 k-point   167 :       0.1600   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3120     -0.00000
     11       6.4495     -0.00000
     12       7.1857      0.00000

 k-point   168 :      -0.1200   -0.2800    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3120     -0.00000
     11       6.4495     -0.00000
     12       7.1859      0.00000

 k-point   169 :      -0.2800   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -11.3035      1.00000
      2     -10.0021      1.00000
      3      -7.6619      1.00000
      4      -4.7165      1.00000
      5      -1.5332      1.00000
      6       2.4204     -0.00000
      7       4.5843     -0.00000
      8       5.3610     -0.00000
      9       5.8414     -0.00000
     10       6.3120     -0.00000
     11       6.4495     -0.00000
     12       7.1849      0.00000

 k-point   170 :       0.3200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5813      0.00000
     12       6.8656      0.00000

 k-point   171 :       0.2000    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5813      0.00000
     12       6.8656      0.00000

 k-point   172 :      -0.1200    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5813      0.00000
     12       6.8656      0.00000

 k-point   173 :       0.2000   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5813      0.00000
     12       6.8656      0.00000

 k-point   174 :      -0.1200   -0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5813      0.00000
     12       6.8656      0.00000

 k-point   175 :      -0.3200   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.7287      1.00000
      2      -9.4258      1.00000
      3      -7.0822      1.00000
      4      -4.1348      1.00000
      5      -0.9770      1.00000
      6       2.7265     -0.00000
      7       3.7012     -0.00000
      8       4.8449     -0.00000
      9       5.2505     -0.00000
     10       5.8593     -0.00000
     11       6.5813      0.00000
     12       6.8656      0.00000

 k-point   176 :       0.3600    0.1200    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   177 :       0.2400    0.3600    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   178 :      -0.1200    0.2400    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   179 :       0.2400   -0.1200    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   180 :      -0.1200   -0.3600    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   181 :      -0.3600   -0.2400    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -8.7527      1.00000
      3      -6.4060      1.00000
      4      -3.4632      1.00000
      5      -0.3620      1.00000
      6       1.8741     -0.00000
      7       3.0956     -0.00000
      8       3.8010     -0.00000
      9       5.1599     -0.00000
     10       5.3121     -0.00000
     11       6.0809     -0.00000
     12       6.5471     -0.00000

 k-point   182 :       0.4000    0.1200    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   183 :       0.2800    0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   184 :      -0.1200    0.2800    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   185 :       0.2800   -0.1200    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   186 :      -0.1200   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   187 :      -0.4000   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -9.2894      1.00000
      2      -7.9828      1.00000
      3      -5.6346      1.00000
      4      -2.7166      1.00000
      5      -0.0395      1.00000
      6       0.7786      1.02047
      7       1.7588     -0.00002
      8       3.8649     -0.00000
      9       4.1227     -0.00000
     10       5.0249     -0.00000
     11       5.9723     -0.00000
     12       6.7192      0.00000

 k-point   188 :       0.4400    0.1200    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02072
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2574     -0.00000

 k-point   189 :       0.3200    0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02072
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2575     -0.00000

 k-point   190 :      -0.1200    0.3200    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02072
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2574     -0.00000

 k-point   191 :       0.3200   -0.1200    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02072
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2574     -0.00000

 k-point   192 :      -0.1200   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02072
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2574     -0.00000

 k-point   193 :      -0.4400   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -8.4240      1.00000
      2      -7.1161      1.00000
      3      -4.7720      1.00000
      4      -1.9991      1.00000
      5      -1.1454      1.00000
      6       0.2217      1.00000
      7       1.4405     -0.02072
      8       2.5018     -0.00000
      9       4.2035     -0.00000
     10       5.0559     -0.00000
     11       5.3392     -0.00000
     12       6.2574     -0.00000

 k-point   194 :       0.4800    0.1200    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   195 :       0.3600    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   196 :      -0.1200    0.3600    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   197 :       0.3600   -0.1200    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   198 :      -0.1200   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   199 :      -0.4800   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -7.4613      1.00000
      2      -6.1538      1.00000
      3      -3.8346      1.00000
      4      -2.6952      1.00000
      5      -1.5623      1.00000
      6      -0.4712      1.00000
      7       1.1234      0.44313
      8       2.3082     -0.00000
      9       3.6598     -0.00000
     10       4.4730     -0.00000
     11       5.4824     -0.00000
     12       6.3181     -0.00000

 k-point   200 :      -0.4800    0.1200    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   201 :       0.4000   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   202 :      -0.1200    0.4000    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   203 :       0.4000   -0.1200    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   204 :      -0.1200    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   205 :       0.4800   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -6.4019      1.00000
      2      -5.1006      1.00000
      3      -4.0032      1.00000
      4      -3.0358      1.00000
      5      -2.4494      1.00000
      6      -0.2939      1.00000
      7       0.4857      1.00005
      8       2.5760     -0.00000
      9       3.2104     -0.00000
     10       4.3030     -0.00000
     11       5.3077     -0.00000
     12       5.7739     -0.00000

 k-point   206 :      -0.4400    0.1200    0.0000
  band No.  band energies     occupation 
      1      -5.3022      1.00000
      2      -5.1903      1.00000
      3      -4.0202      1.00000
      4      -3.9170      1.00000
      5      -1.9614      1.00000
      6      -1.0455      1.00000
      7       1.2626      0.01769
      8       1.6653     -0.00031
      9       3.7404     -0.00000
     10       4.5509     -0.00000
     11       4.5885     -0.00000
     12       5.5658     -0.00000

 k-point   207 :       0.4400   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.3022      1.00000
      2      -5.1903      1.00000
      3      -4.0202      1.00000
      4      -3.9170      1.00000
      5      -1.9614      1.00000
      6      -1.0455      1.00000
      7       1.2626      0.01769
      8       1.6653     -0.00031
      9       3.7404     -0.00000
     10       4.5509     -0.00000
     11       4.5885     -0.00000
     12       5.5658     -0.00000

 k-point   208 :      -0.1200    0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.3022      1.00000
      2      -5.1903      1.00000
      3      -4.0202      1.00000
      4      -3.9170      1.00000
      5      -1.9614      1.00000
      6      -1.0455      1.00000
      7       1.2626      0.01769
      8       1.6653     -0.00031
      9       3.7404     -0.00000
     10       4.5509     -0.00000
     11       4.5885     -0.00000
     12       5.5658     -0.00000

 k-point   209 :       0.3200    0.1600    0.0000
  band No.  band energies     occupation 
      1     -10.7766      1.00000
      2      -9.4739      1.00000
      3      -7.1305      1.00000
      4      -4.1830      1.00000
      5      -1.0213      1.00000
      6       2.7828     -0.00000
      7       4.3016     -0.00000
      8       4.8012     -0.00000
      9       5.5433     -0.00000
     10       5.7296     -0.00000
     11       5.9373     -0.00000
     12       6.9278      0.00000

 k-point   210 :       0.1600    0.3200    0.0000
  band No.  band energies     occupation 
      1     -10.7766      1.00000
      2      -9.4739      1.00000
      3      -7.1305      1.00000
      4      -4.1830      1.00000
      5      -1.0213      1.00000
      6       2.7828     -0.00000
      7       4.3016     -0.00000
      8       4.8012     -0.00000
      9       5.5433     -0.00000
     10       5.7296     -0.00000
     11       5.9373     -0.00000
     12       6.9279      0.00000

 k-point   211 :      -0.1600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -10.7766      1.00000
      2      -9.4739      1.00000
      3      -7.1305      1.00000
      4      -4.1830      1.00000
      5      -1.0213      1.00000
      6       2.7828     -0.00000
      7       4.3016     -0.00000
      8       4.8012     -0.00000
      9       5.5433     -0.00000
     10       5.7296     -0.00000
     11       5.9373     -0.00000
     12       6.9279      0.00000

 k-point   212 :       0.3600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   213 :       0.2000    0.3600    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   214 :      -0.1600    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   215 :       0.2000   -0.1600    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   216 :      -0.1600   -0.3600    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   217 :      -0.3600   -0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.1534      1.00000
      2      -8.8490      1.00000
      3      -6.5026      1.00000
      4      -3.5575      1.00000
      5      -0.4348      1.00000
      6       2.7067     -0.00000
      7       3.4300     -0.00000
      8       4.1191     -0.00000
      9       4.5009     -0.00000
     10       5.3079     -0.00000
     11       5.8875     -0.00000
     12       6.4223     -0.00000

 k-point   218 :       0.4000    0.1600    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   219 :       0.2400    0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   220 :      -0.1600    0.2400    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   221 :       0.2400   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   222 :      -0.1600   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   223 :      -0.4000   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.1273      1.00000
      3      -5.7790      1.00000
      4      -2.8488      1.00000
      5       0.1491      1.00000
      6       1.4490     -0.01881
      7       2.6655     -0.00000
      8       3.4097     -0.00000
      9       4.3704     -0.00000
     10       4.6213     -0.00000
     11       5.3168     -0.00000
     12       6.4373     -0.00000

 k-point   224 :       0.4400    0.1600    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00698
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   225 :       0.2800    0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00698
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   226 :      -0.1600    0.2800    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00698
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   227 :       0.2800   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00698
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   228 :      -0.1600   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00698
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   229 :      -0.4400   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -8.6165      1.00000
      2      -7.3089      1.00000
      3      -4.9622      1.00000
      4      -2.0906      1.00000
      5      -0.2890      1.00000
      6       0.9340      1.00698
      7       1.4943     -0.01036
      8       3.1631     -0.00000
      9       3.3671     -0.00000
     10       4.4301     -0.00000
     11       5.2418     -0.00000
     12       6.2689     -0.00000

 k-point   230 :       0.4800    0.1600    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   231 :       0.3200    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   232 :      -0.1600    0.3200    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   233 :       0.3200   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   234 :      -0.1600   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   235 :      -0.4800   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -7.7020      1.00000
      2      -6.3943      1.00000
      3      -4.0603      1.00000
      4      -1.8514      1.00000
      5      -1.1855      1.00000
      6      -0.0787      1.00000
      7       1.8023     -0.00001
      8       2.1950     -0.00000
      9       3.0082     -0.00000
     10       4.1283     -0.00000
     11       5.0453     -0.00000
     12       6.0189     -0.00000

 k-point   236 :      -0.4800    0.1600    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2395     -0.00000

 k-point   237 :       0.3600   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2395     -0.00000

 k-point   238 :      -0.1600    0.3600    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2397     -0.00000

 k-point   239 :       0.3600   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2395     -0.00000

 k-point   240 :      -0.1600    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2397     -0.00000

 k-point   241 :       0.4800   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -6.6905      1.00000
      2      -5.3860      1.00000
      3      -3.1682      1.00000
      4      -3.0453      1.00000
      5      -1.7958      1.00000
      6       0.0026      1.00000
      7       0.7688      1.01827
      8       2.4501     -0.00000
      9       3.1236     -0.00000
     10       3.6209     -0.00000
     11       4.4315     -0.00000
     12       6.2397     -0.00000

 k-point   242 :      -0.4400    0.1600    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65805
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   243 :       0.4000   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65806
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   244 :      -0.1600    0.4000    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65806
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   245 :       0.4000   -0.1600    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65805
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   246 :      -0.1600    0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65806
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   247 :       0.4400   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -5.5846      1.00000
      2      -4.3848      1.00000
      3      -4.2883      1.00000
      4      -3.1534      1.00000
      5      -1.9658      1.00000
      6      -0.5244      1.00000
      7       1.0712      0.65806
      8       2.0353     -0.00000
      9       2.9060     -0.00000
     10       4.0173     -0.00000
     11       4.3242     -0.00000
     12       5.2922     -0.00000

 k-point   248 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.4815      1.00000
      2      -8.1755      1.00000
      3      -5.8272      1.00000
      4      -2.8937      1.00000
      5       0.1524      1.00000
      6       2.3379     -0.00000
      7       2.4803     -0.00000
      8       3.5644     -0.00000
      9       3.7042     -0.00000
     10       4.6037     -0.00000
     11       5.6457     -0.00000
     12       6.1218     -0.00000

 k-point   249 :       0.2000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -9.4815      1.00000
      2      -8.1755      1.00000
      3      -5.8272      1.00000
      4      -2.8937      1.00000
      5       0.1524      1.00000
      6       2.3379     -0.00000
      7       2.4803     -0.00000
      8       3.5644     -0.00000
      9       3.7042     -0.00000
     10       4.6037     -0.00000
     11       5.6457     -0.00000
     12       6.1218     -0.00000

 k-point   250 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.4815      1.00000
      2      -8.1755      1.00000
      3      -5.8272      1.00000
      4      -2.8937      1.00000
      5       0.1524      1.00000
      6       2.3379     -0.00000
      7       2.4803     -0.00000
      8       3.5644     -0.00000
      9       3.7042     -0.00000
     10       4.6037     -0.00000
     11       5.6457     -0.00000
     12       6.1218     -0.00000

 k-point   251 :       0.4400    0.2000    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03320
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   252 :       0.2400    0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03320
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   253 :      -0.2000    0.2400    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03320
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   254 :       0.2400   -0.2000    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03320
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   255 :      -0.2000   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03320
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   256 :      -0.4400   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -8.7127      1.00000
      2      -7.4053      1.00000
      3      -5.0577      1.00000
      4      -2.1604      1.00000
      5       0.4638      1.00002
      6       1.2540      0.03320
      7       2.0988     -0.00000
      8       2.3009     -0.00000
      9       3.2581     -0.00000
     10       4.3601     -0.00000
     11       5.1419     -0.00000
     12       5.6988     -0.00000

 k-point   257 :       0.4800    0.2000    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   258 :       0.2800    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   259 :      -0.2000    0.2800    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   260 :       0.2800   -0.2000    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   261 :      -0.2000   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   262 :      -0.4800   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -7.8465      1.00000
      2      -6.5387      1.00000
      3      -4.1990      1.00000
      4      -1.4596      1.00000
      5      -0.5946      1.00000
      6       0.7299      1.01095
      7       1.4800     -0.01255
      8       2.2019     -0.00000
      9       2.7596     -0.00000
     10       3.3548     -0.00000
     11       5.2323     -0.00000
     12       5.7171     -0.00000

 k-point   263 :      -0.4800    0.2000    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01958
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   264 :       0.3200   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01957
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   265 :      -0.2000    0.3200    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01957
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   266 :       0.3200   -0.2000    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01958
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   267 :      -0.2000    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01957
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   268 :       0.4800   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -6.8830      1.00000
      2      -5.5773      1.00000
      3      -3.2691      1.00000
      4      -2.1277      1.00000
      5      -1.0179      1.00000
      6       0.0160      1.00000
      7       1.3007     -0.01957
      8       1.6541     -0.00041
      9       2.7600     -0.00000
     10       3.1510     -0.00000
     11       4.5697     -0.00000
     12       5.2812     -0.00000

 k-point   269 :      -0.4400    0.2000    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8865      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   270 :       0.3600   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8865      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   271 :      -0.2000    0.3600    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8865      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   272 :       0.3600   -0.2000    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8865      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   273 :      -0.2000    0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8865      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   274 :       0.4400   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -5.8236      1.00000
      2      -4.5263      1.00000
      3      -3.4299      1.00000
      4      -2.4802      1.00000
      5      -1.8865      1.00000
      6       0.2398      1.00000
      7       0.7264      1.01028
      8       1.3764     -0.03386
      9       2.6513     -0.00000
     10       3.5924     -0.00000
     11       3.9537     -0.00000
     12       5.0783     -0.00000

 k-point   275 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1      -4.7270      1.00000
      2      -4.6107      1.00000
      3      -3.4496      1.00000
      4      -3.3504      1.00000
      5      -1.4212      1.00000
      6      -0.4945      1.00000
      7       1.0153      0.85670
      8       1.4819     -0.01214
      9       2.5014     -0.00000
     10       3.1357     -0.00000
     11       4.6712     -0.00000
     12       5.0903     -0.00000

 k-point   276 :       0.4000   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.7270      1.00000
      2      -4.6107      1.00000
      3      -3.4496      1.00000
      4      -3.3504      1.00000
      5      -1.4212      1.00000
      6      -0.4945      1.00000
      7       1.0153      0.85670
      8       1.4819     -0.01214
      9       2.5014     -0.00000
     10       3.1357     -0.00000
     11       4.6712     -0.00000
     12       5.0903     -0.00000

 k-point   277 :      -0.2000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.7270      1.00000
      2      -4.6107      1.00000
      3      -3.4496      1.00000
      4      -3.3504      1.00000
      5      -1.4212      1.00000
      6      -0.4945      1.00000
      7       1.0153      0.85670
      8       1.4819     -0.01214
      9       2.5014     -0.00000
     10       3.1357     -0.00000
     11       4.6712     -0.00000
     12       5.0903     -0.00000

 k-point   278 :       0.4800    0.2400    0.0000
  band No.  band energies     occupation 
      1      -7.8947      1.00000
      2      -6.5868      1.00000
      3      -4.2456      1.00000
      4      -1.4381      1.00000
      5       0.2205      1.00000
      6       0.6040      1.00102
      7       1.5554     -0.00355
      8       1.9246     -0.00000
      9       2.3267     -0.00000
     10       3.7456     -0.00000
     11       4.6214     -0.00000
     12       5.6837     -0.00000

 k-point   279 :       0.2400    0.4800    0.0000
  band No.  band energies     occupation 
      1      -7.8947      1.00000
      2      -6.5868      1.00000
      3      -4.2456      1.00000
      4      -1.4381      1.00000
      5       0.2205      1.00000
      6       0.6040      1.00102
      7       1.5554     -0.00355
      8       1.9246     -0.00000
      9       2.3267     -0.00000
     10       3.7456     -0.00000
     11       4.6214     -0.00000
     12       5.6837     -0.00000

 k-point   280 :      -0.2400    0.2400    0.0000
  band No.  band energies     occupation 
      1      -7.8947      1.00000
      2      -6.5868      1.00000
      3      -4.2456      1.00000
      4      -1.4381      1.00000
      5       0.2205      1.00000
      6       0.6040      1.00102
      7       1.5554     -0.00355
      8       1.9246     -0.00000
      9       2.3267     -0.00000
     10       3.7456     -0.00000
     11       4.6214     -0.00000
     12       5.6837     -0.00000

 k-point   281 :      -0.4800    0.2400    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   282 :       0.2800   -0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   283 :      -0.2400    0.2800    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   284 :       0.2800   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   285 :      -0.2400    0.4800    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   286 :       0.4800   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -6.9794      1.00000
      2      -5.6732      1.00000
      3      -3.3527      1.00000
      4      -1.1624      1.00000
      5      -0.6030      1.00000
      6       0.1510      1.00000
      7       0.6448      1.00247
      8       1.5224     -0.00645
      9       2.7595     -0.00000
     10       2.9270     -0.00000
     11       4.0801     -0.00000
     12       5.5877     -0.00000

 k-point   287 :      -0.4400    0.2400    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75595
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   288 :       0.3200   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75596
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   289 :      -0.2400    0.3200    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75595
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   290 :       0.3200   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75595
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   291 :      -0.2400    0.4400    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75596
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   292 :       0.4400   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -5.9676      1.00000
      2      -4.6675      1.00000
      3      -2.4744      1.00000
      4      -2.3353      1.00000
      5      -1.1096      1.00000
      6      -0.1443      1.00000
      7       0.6213      1.00152
      8       1.0457      0.75595
      9       2.0511     -0.00000
     10       3.6562     -0.00000
     11       3.9023     -0.00000
     12       4.5170     -0.00000

 k-point   293 :      -0.4000    0.2400    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1286      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   294 :       0.3600   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1286      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   295 :      -0.2400    0.3600    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1286      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   296 :       0.3600   -0.2400    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1286      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   297 :      -0.2400    0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1286      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   298 :       0.4000   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -4.8629      1.00000
      2      -3.6642      1.00000
      3      -3.5774      1.00000
      4      -2.4520      1.00000
      5      -1.2991      1.00000
      6      -0.1841      1.00000
      7       0.1286      1.00000
      8       0.8901      1.03256
      9       2.3480     -0.00000
     10       3.1797     -0.00000
     11       3.8876     -0.00000
     12       4.7640     -0.00000

 k-point   299 :      -0.4400    0.2800    0.0000
  band No.  band energies     occupation 
      1      -6.0156      1.00000
      2      -4.7148      1.00000
      3      -2.4476      1.00000
      4      -1.3395      1.00000
      5      -1.2271      1.00000
      6      -0.3510      1.00000
      7       0.1344      1.00000
      8       1.0450      0.75409
      9       2.3133     -0.00000
     10       3.0603     -0.00000
     11       3.7807     -0.00000
     12       5.2635     -0.00000

 k-point   300 :       0.2800   -0.4400    0.0000
  band No.  band energies     occupation 
      1      -6.0156      1.00000
      2      -4.7148      1.00000
      3      -2.4476      1.00000
      4      -1.3395      1.00000
      5      -1.2271      1.00000
      6      -0.3510      1.00000
      7       0.1344      1.00000
      8       1.0450      0.75410
      9       2.3133     -0.00000
     10       3.0603     -0.00000
     11       3.7807     -0.00000
     12       5.2639     -0.00000

 k-point   301 :      -0.2800    0.2800    0.0000
  band No.  band energies     occupation 
      1      -6.0156      1.00000
      2      -4.7148      1.00000
      3      -2.4476      1.00000
      4      -1.3395      1.00000
      5      -1.2271      1.00000
      6      -0.3510      1.00000
      7       0.1344      1.00000
      8       1.0450      0.75409
      9       2.3133     -0.00000
     10       3.0603     -0.00000
     11       3.7807     -0.00000
     12       5.2641     -0.00000

 k-point   302 :      -0.4000    0.2800    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03256
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   303 :       0.3200   -0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03256
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   304 :      -0.2800    0.3200    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03256
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   305 :       0.3200   -0.2800    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03256
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   306 :      -0.2800    0.4000    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03256
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   307 :       0.4000   -0.3200    0.0000
  band No.  band energies     occupation 
      1      -4.9574      1.00000
      2      -3.6700      1.00000
      3      -2.5770      1.00000
      4      -1.6853      1.00000
      5      -1.3973      1.00000
      6      -1.0963      1.00000
      7      -0.1078      1.00000
      8       0.8898      1.03256
      9       2.2156     -0.00000
     10       2.6997     -0.00000
     11       4.2463     -0.00000
     12       4.6859     -0.00000

 k-point   308 :      -0.3600    0.2800    0.0000
  band No.  band energies     occupation 
      1      -3.8684      1.00000
      2      -3.7443      1.00000
      3      -2.6041      1.00000
      4      -2.5079      1.00000
      5      -1.4507      1.00000
      6      -0.7915      1.00000
      7       0.0228      1.00000
      8       0.2235      1.00000
      9       2.4421     -0.00000
     10       3.0303     -0.00000
     11       3.3820     -0.00000
     12       5.2378     -0.00000

 k-point   309 :       0.3600   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -3.8684      1.00000
      2      -3.7443      1.00000
      3      -2.6041      1.00000
      4      -2.5079      1.00000
      5      -1.4507      1.00000
      6      -0.7915      1.00000
      7       0.0228      1.00000
      8       0.2235      1.00000
      9       2.4421     -0.00000
     10       3.0303     -0.00000
     11       3.3820     -0.00000
     12       5.2378     -0.00000

 k-point   310 :      -0.2800    0.3600    0.0000
  band No.  band energies     occupation 
      1      -3.8684      1.00000
      2      -3.7443      1.00000
      3      -2.6041      1.00000
      4      -2.5079      1.00000
      5      -1.4507      1.00000
      6      -0.7915      1.00000
      7       0.0228      1.00000
      8       0.2235      1.00000
      9       2.4421     -0.00000
     10       3.0303     -0.00000
     11       3.3820     -0.00000
     12       5.2378     -0.00000

 k-point   311 :      -0.3600    0.3200    0.0000
  band No.  band energies     occupation 
      1      -3.8586      1.00000
      2      -2.7225      1.00000
      3      -2.6132      1.00000
      4      -2.5849      1.00000
      5      -1.5512      1.00000
      6      -1.4404      1.00000
      7      -0.2043      1.00000
      8       0.5661      1.00041
      9       1.8895     -0.00000
     10       3.0827     -0.00000
     11       4.0448     -0.00000
     12       4.3001     -0.00000

 k-point   312 :       0.3200   -0.3600    0.0000
  band No.  band energies     occupation 
      1      -3.8586      1.00000
      2      -2.7225      1.00000
      3      -2.6132      1.00000
      4      -2.5849      1.00000
      5      -1.5512      1.00000
      6      -1.4404      1.00000
      7      -0.2043      1.00000
      8       0.5661      1.00041
      9       1.8895     -0.00000
     10       3.0827     -0.00000
     11       4.0448     -0.00000
     12       4.3001     -0.00000

 k-point   313 :      -0.3200    0.3200    0.0000
  band No.  band energies     occupation 
      1      -3.8586      1.00000
      2      -2.7225      1.00000
      3      -2.6132      1.00000
      4      -2.5849      1.00000
      5      -1.5512      1.00000
      6      -1.4404      1.00000
      7      -0.2043      1.00000
      8       0.5661      1.00041
      9       1.8895     -0.00000
     10       3.0827     -0.00000
     11       4.0448     -0.00000
     12       4.3001     -0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.137  13.893   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.893  23.714   0.000  -0.004   0.000   0.000  -0.011   0.000
  0.000   0.000   1.877   0.000   0.000   5.473   0.000   0.000
 -0.002  -0.004   0.000   1.878   0.000   0.000   5.476   0.000
  0.000   0.000   0.000   0.000   1.877   0.000   0.000   5.473
  0.000   0.000   5.473   0.000   0.000  15.813   0.000   0.000
 -0.006  -0.011   0.000   5.476   0.000   0.000  15.822   0.000
  0.000   0.000   0.000   0.000   5.473   0.000   0.000  15.813
 pseudopotential strength for first ion, spin component:           2
  8.137  13.893  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.893  23.714  -0.000  -0.004   0.000  -0.000  -0.011   0.000
 -0.000  -0.000   1.877   0.000   0.000   5.473   0.000   0.000
 -0.002  -0.004   0.000   1.878   0.000   0.000   5.476   0.000
  0.000   0.000   0.000   0.000   1.877   0.000   0.000   5.473
 -0.000  -0.000   5.473   0.000   0.000  15.813   0.000   0.000
 -0.006  -0.011   0.000   5.476   0.000   0.000  15.822   0.000
  0.000   0.000   0.000   0.000   5.473   0.000   0.000  15.813
 total augmentation occupancy for first ion, spin component:           1
116.776 -62.358   0.000  -0.245   0.000  -0.000   0.002  -0.000
-62.358  33.299  -0.000   0.120  -0.000   0.000   0.001   0.000
  0.000  -0.000   2.124  -0.000  -0.000  -0.329   0.000   0.000
 -0.245   0.120  -0.000   1.624   0.000   0.000  -0.250  -0.000
  0.000  -0.000  -0.000   0.000   2.124   0.000  -0.000  -0.329
 -0.000   0.000  -0.329   0.000   0.000   0.051  -0.000  -0.000
  0.002   0.001   0.000  -0.250  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.329  -0.000   0.000   0.051
 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


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


    FORLOC:  cpu time      0.0012: real time      0.0012
    FORHF :  cpu time   3458.3957: real time   3471.5113
    FORNL :  cpu time      0.4490: real time      0.4511
    FORCOR:  cpu time      1.3364: real time      1.3397
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.125E-05 0.294E-05 0.201E+03   0.443E-13 0.270E-13 -.200E+03   -.127E-05 -.317E-05 -.101E+01
   -.683E-06 0.114E-05 0.683E+02   -.136E-12 -.808E-13 -.684E+02   0.924E-06 -.686E-06 0.283E+00
   0.145E-05 0.598E-06 -.641E+02   0.177E-12 0.957E-13 0.648E+02   -.156E-05 -.797E-06 -.161E+01
   0.518E-06 -.318E-05 -.205E+03   -.847E-13 -.456E-13 0.204E+03   -.938E-06 0.360E-05 0.237E+01
 -----------------------------------------------------------------------------------------------
   0.311E-05 0.182E-05 -.299E-01   0.466E-15 -.363E-14 0.000E+00   -.284E-05 -.105E-05 0.320E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000001      0.000000      0.007255
      1.42873      0.82488      2.33311        -0.000000      0.000000      0.213167
      2.85746      1.64976      4.66621        -0.000001     -0.000001     -0.933405
      0.00000      0.00000      6.79932         0.000001      0.000001      0.712983
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000001      0.000763


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.86668532 eV

  energy  without entropy=      -10.86603514  energy(sigma->0) =      -10.86646859
 


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


    POTLOK:  cpu time      1.3137: real time      1.3171


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


 writing wavefunctions
     LOOP+:  cpu time 121442.1782: real time 121909.6762
    4ORBIT:  cpu time      0.0000: real time      0.0000

 total amount of memory used by VASP MPI-rank0   124140. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      14871. kBytes
   fftplans  :       5086. kBytes
   grid      :       3656. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:        482. kBytes
   wavefun   :      67425. kBytes
   fock_wrk  :       2610. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):   121453.484
                            User time (sec):   111607.566
                          System time (sec):     9845.920
                         Elapsed time (sec):   121921.777
  
                   Maximum memory used (kb):      401108.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       383400
                          Major page faults:            0
                 Voluntary context switches:          771
