 vasp.5.4.1 05Feb16 (build Feb 20 2018 13:12:38) gamma-only                     
  
 executed on        LinuxIFC_ompi date 2018.06.01  21:10:23
 running on  100 total cores
 distrk:  each k-point on  100 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=  10 cores,   10 groups


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


 INCAR:
 POTCAR:    PAW_PBE Cr_pv 02Aug2007               
 POTCAR:    PAW_PBE H 15Jun2001                   
 POTCAR:    PAW_PBE C 08Apr2002                   
 POTCAR:    PAW_PBE O 08Apr2002                   
 POTCAR:    PAW_PBE Cr_pv 02Aug2007               
   VRHFIN =Cr : p6d5s1                                                          
   LEXCH  = PE                                                                  
   EATOM  =  1647.9177 eV,  121.1185 Ry                                         
                                                                                
   TITEL  = PAW_PBE Cr_pv 02Aug2007                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.080    partial core radius                                     
   POMASS =   51.996; ZVAL   =   12.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.500; RWIGS  =    1.323    wigner-seitz radius (au A)           
   ENMAX  =  265.681; ENMIN  =  199.261 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  519.424                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.356    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.447    radius for radial grids                                 
   RDEPT  =    1.882    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    8 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -5880.4963   2.0000                                         
     2  0  0.50      -667.0865   2.0000                                         
     2  1  1.50      -560.6250   6.0000                                         
     3  0  0.50       -73.9860   2.0000                                         
     3  1  1.50       -45.4378   6.0000                                         
     3  2  2.50        -2.9137   5.0000                                         
     4  0  0.50        -4.0071   1.0000                                         
     4  3  2.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     1    -45.4377911     23  2.000                                             
     1      1.3605826     23  2.000                                             
     2     -2.9136672     23  2.300                                             
     2     -4.2742498     23  2.300                                             
     0     -4.0071320     23  2.300                                             
     0      9.4498803     23  2.300                                             
     3      2.7211652     23  2.300                                             
  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=           1  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=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 POTCAR:    PAW_PBE H 15Jun2001                   
   VRHFIN =H: ultrasoft test                                                    
   LEXCH  = PE                                                                  
   EATOM  =    12.4884 eV,    0.9179 Ry                                         
                                                                                
   TITEL  = PAW_PBE H 15Jun2001                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    0.000    partial core radius                                     
   POMASS =    1.000; ZVAL   =    1.000    mass and valenz                      
   RCORE  =    1.100    outmost cutoff radius                                   
   RWIGS  =    0.700; RWIGS  =    0.370    wigner-seitz radius (au A)           
   ENMAX  =  250.000; ENMIN  =  200.000 eV                                      
   RCLOC  =    0.701    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  400.000                                                            
   RMAX   =    1.123    core radius for proj-oper                               
   RAUG   =    1.200    factor for augmentation sphere                          
   RDEP   =    1.112    radius for radial grids                                 
   RDEPT  =    0.926    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    2 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50        -6.4927   1.0000                                         
     2  1  0.50        -3.4015   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0     -6.4927494     23  1.100                                             
     0      6.8029130     23  1.100                                             
     1     -4.0817478     23  1.100                                             
  local pseudopotential read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
 POTCAR:    PAW_PBE C 08Apr2002                   
   VRHFIN =C: s2p2                                                              
   LEXCH  = PE                                                                  
   EATOM  =   147.1560 eV,   10.8157 Ry                                         
                                                                                
   TITEL  = PAW_PBE C 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.630; RWIGS  =    0.863    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  644.873                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.529    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.501    radius for radial grids                                 
   RDEPT  =    1.300    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -273.3789   2.0000                                         
     2  0  0.50       -13.7508   2.0000                                         
     2  1  0.50        -5.2854   2.0000                                         
     3  2  1.50        -5.4423   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -13.7508458     23  1.200                                             
     0     -8.2022199     23  1.200                                             
     1     -5.2854383     23  1.500                                             
     1     34.0145650     23  1.500                                             
     2     -5.4423304      7  1.500                                             
  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
 
 POTCAR:    PAW_PBE O 08Apr2002                   
   VRHFIN =O: s2p4                                                              
   LEXCH  = PE                                                                  
   EATOM  =   432.3788 eV,   31.7789 Ry                                         
                                                                                
   TITEL  = PAW_PBE O 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   16.000; ZVAL   =    6.000    mass and valenz                      
   RCORE  =    1.520    outmost cutoff radius                                   
   RWIGS  =    1.550; RWIGS  =    0.820    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  605.392                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.553    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.550    radius for radial grids                                 
   RDEPT  =    1.329    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -514.6923   2.0000                                         
     2  0  0.50       -23.9615   2.0000                                         
     2  1  0.50        -9.0305   4.0000                                         
     3  2  1.50        -9.5241   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -23.9615318     23  1.200                                             
     0     -9.5240782     23  1.200                                             
     1     -9.0304911     23  1.520                                             
     1      8.1634956     23  1.520                                             
     2     -9.5240782      7  1.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  kinetic energy density of atom 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
 

 ----------------------------------------------------------------------------- 
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You have a (more or less) 'large supercell' and for larger cells       |
|      it might be more efficient to use real space projection opertators     |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind: At the moment your POTCAR file does not contain real space       |
|       projectors, and has to be modified,  BUT if you                       |
|      want to do an extremely  accurate calculation you might also keep the  |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
 ----------------------------------------------------------------------------- 

  PAW_PBE Cr_pv 02Aug2007               :
 energy of atom  1       EATOM=-1647.9177
 kinetic energy error for atom=    0.0057 (will be added to EATOM!!)
  PAW_PBE H 15Jun2001                   :
 energy of atom  2       EATOM=  -12.4884
 kinetic energy error for atom=    0.0014 (will be added to EATOM!!)
  PAW_PBE C 08Apr2002                   :
 energy of atom  3       EATOM= -147.1560
 kinetic energy error for atom=    0.0071 (will be added to EATOM!!)
  PAW_PBE O 08Apr2002                   :
 energy of atom  4       EATOM= -432.3788
 kinetic energy error for atom=    0.0208 (will be added to EATOM!!)
 
 
 POSCAR: Cr  H  C  O                             
  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

 VTST: version 3.2, (02/03/18)

 CHAIN: initializing optimizer
 
 OPT: Using VASP Dynamics algorithm
 CHAIN: Read ICHAIN            0
 
 POSCAR: Cr  H  C  O                             
  positions in cartesian coordinates
  No initial velocities read in
 


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


 ion  position               nearest neighbor table
   1  0.438  0.500  0.500- 136 1.96 112 1.96 134 1.97 110 1.98   2 2.54
   2  0.573  0.503  0.498- 158 1.82 137 1.95 113 1.96 111 2.02 135 2.02   1 2.54
   3  0.450  0.950  0.949-   4 1.91 139 1.97 141 1.97 116 1.97 114 1.97
   4  0.551  0.051  0.050-   3 1.91 115 1.97 117 1.97 140 1.97 138 1.97
   5  0.449  0.950  0.500-   6 1.91 148 1.97 118 1.97 126 1.97 144 1.97
   6  0.551  0.051  0.500-   5 1.91 145 1.97 149 1.97 127 1.97 119 1.97
   7  1.000  0.500  0.050-   8 1.91 124 1.97 142 1.97 150 1.97 120 1.97
   8  0.000  0.500  0.949-   7 1.91 121 1.97 125 1.97 143 1.97 151 1.97
   9  0.449  0.500  0.949-  10 1.91 131 1.97 123 1.97 156 1.97 152 1.97
  10  0.551  0.500  0.050-   9 1.91 157 1.97 122 1.97 130 1.97 153 1.97
  11  0.000  0.051  0.500-  12 1.91 155 1.97 147 1.97 132 1.97 128 1.97
  12  0.001  0.950  0.500-  11 1.91 133 1.97 146 1.97 154 1.97 129 1.97
  13  0.533  0.767  0.527-  86 1.09
  14  0.468  0.235  0.471-  87 1.09
  15  0.468  0.474  0.234-  88 1.09
  16  0.532  0.527  0.764-  89 1.09
  17  0.467  0.996  0.233-  90 1.09
  18  0.533  0.005  0.766-  91 1.09
  19  0.533  0.767  0.005-  92 1.09
  20  0.467  0.234  0.995-  93 1.09
  21  0.238  0.767  0.233-  94 1.09
  22  0.762  0.234  0.766-  95 1.09
  23  0.239  0.473  0.234-  96 1.09
  24  0.762  0.529  0.766-  97 1.09
  25  0.762  0.767  0.233-  98 1.09
  26  0.238  0.233  0.767-  99 1.09
  27  0.238  0.767  0.005- 100 1.09
  28  0.762  0.234  0.995- 101 1.09
  29  0.762  0.995  0.527- 102 1.09
  30  0.240  0.007  0.473- 103 1.09
  31  0.760  0.766  0.526- 104 1.09
  32  0.241  0.236  0.473- 105 1.09
  33  0.239  0.472  0.005- 106 1.09
  34  0.760  0.527  0.994- 107 1.09
  35  0.762  0.995  0.233- 108 1.09
  36  0.238  0.005  0.766- 109 1.09
  37  0.669  0.442  0.538- 158 0.97
  38  0.593  0.665  0.522- 110 1.28 137 1.28  62 1.48
  39  0.407  0.337  0.476- 111 1.28 136 1.28  63 1.49
  40  0.407  0.478  0.336- 113 1.28 134 1.28  64 1.48
  41  0.595  0.525  0.663- 135 1.28 112 1.29  65 1.49
  42  0.405  0.930  0.070- 139 1.29 115 1.29  66 1.48
  43  0.595  0.071  0.929- 114 1.29 138 1.29  67 1.48
  44  0.595  0.930  0.070- 116 1.29 140 1.29  68 1.48
  45  0.405  0.071  0.929- 141 1.29 117 1.29  69 1.48
  46  0.405  0.930  0.334- 149 1.29 118 1.29  70 1.48
  47  0.595  0.071  0.665- 148 1.29 119 1.29  71 1.48
  48  0.141  0.477  0.071- 151 1.29 120 1.29  72 1.48
  49  0.858  0.524  0.929- 121 1.29 150 1.29  73 1.48
  50  0.595  0.665  0.070- 122 1.29 156 1.29  74 1.48
  51  0.405  0.335  0.929- 157 1.29 123 1.29  75 1.48
  52  0.141  0.666  0.070- 125 1.29 142 1.29  76 1.48
  53  0.859  0.335  0.929- 143 1.29 124 1.29  77 1.48
  54  0.595  0.930  0.524- 127 1.29 144 1.29  78 1.48
  55  0.406  0.072  0.476- 126 1.29 145 1.29  79 1.48
  56  0.859  0.929  0.523- 129 1.29 155 1.29  80 1.48
  57  0.143  0.072  0.477- 128 1.29 154 1.29  81 1.48
  58  0.406  0.477  0.071- 153 1.29 131 1.29  82 1.48
  59  0.594  0.523  0.928- 152 1.29 130 1.29  83 1.48
  60  0.860  0.930  0.335- 146 1.29 132 1.29  84 1.48
  61  0.141  0.071  0.665- 133 1.29 147 1.29  85 1.48
  62  0.642  0.757  0.528-  86 1.40 104 1.40  38 1.48
  63  0.358  0.245  0.471-  87 1.40 105 1.40  39 1.49
  64  0.357  0.472  0.243-  96 1.40  88 1.40  40 1.48
  65  0.643  0.529  0.756-  97 1.40  89 1.40  41 1.49
  66  0.356  0.886  0.114-  90 1.40 100 1.40  42 1.48
  67  0.644  0.114  0.886- 101 1.40  91 1.40  43 1.48
  68  0.644  0.886  0.114- 108 1.40  92 1.40  44 1.48
  69  0.356  0.114  0.886-  93 1.40 109 1.40  45 1.48
  70  0.356  0.887  0.242-  90 1.40  94 1.40  46 1.48
  71  0.644  0.114  0.757-  95 1.40  91 1.40  47 1.48
  72  0.228  0.471  0.114- 106 1.40  96 1.40  48 1.48
  73  0.771  0.529  0.885- 107 1.40  97 1.40  49 1.48
  74  0.644  0.758  0.114-  92 1.40  98 1.40  50 1.48
  75  0.356  0.243  0.886-  99 1.40  93 1.40  51 1.48
  76  0.228  0.758  0.114- 100 1.40  94 1.40  52 1.48
  77  0.772  0.243  0.886-  95 1.40 101 1.40  53 1.48
  78  0.643  0.886  0.529- 102 1.40  86 1.40  54 1.48
  79  0.358  0.116  0.471- 103 1.40  87 1.40  55 1.48
  80  0.771  0.886  0.528- 104 1.40 102 1.40  56 1.48
  81  0.230  0.116  0.472- 103 1.40 105 1.40  57 1.48
  82  0.357  0.471  0.114-  88 1.40 106 1.40  58 1.48
  83  0.642  0.529  0.884- 107 1.40  89 1.40  59 1.48
  84  0.773  0.886  0.242- 108 1.40  98 1.40  60 1.48
  85  0.228  0.114  0.758-  99 1.40 109 1.40  61 1.48
  86  0.600  0.800  0.529-  13 1.09  62 1.40  78 1.40
  87  0.401  0.201  0.471-  14 1.09  63 1.40  79 1.40
  88  0.400  0.472  0.200-  15 1.09  82 1.40  64 1.40
  89  0.600  0.529  0.799-  16 1.09  65 1.40  83 1.40
  90  0.399  0.929  0.199-  17 1.09  66 1.40  70 1.40
  91  0.601  0.071  0.800-  18 1.09  67 1.40  71 1.40
  92  0.601  0.801  0.071-  19 1.09  68 1.40  74 1.40
  93  0.399  0.200  0.929-  20 1.09  75 1.40  69 1.40
  94  0.270  0.801  0.199-  21 1.09  76 1.40  70 1.40
  95  0.730  0.200  0.800-  22 1.09  77 1.40  71 1.40
  96  0.271  0.471  0.200-  23 1.09  64 1.40  72 1.40
  97  0.729  0.530  0.799-  24 1.09  65 1.40  73 1.40
  98  0.730  0.801  0.199-  25 1.09  74 1.40  84 1.40
  99  0.270  0.200  0.800-  26 1.09  75 1.40  85 1.40
 100  0.271  0.801  0.071-  27 1.09  66 1.40  76 1.40
 101  0.730  0.200  0.929-  28 1.09  77 1.40  67 1.40
 102  0.729  0.929  0.529-  29 1.09  78 1.40  80 1.40
 103  0.272  0.073  0.471-  30 1.09  79 1.40  81 1.40
 104  0.728  0.800  0.528-  31 1.09  80 1.40  62 1.40
 105  0.273  0.202  0.472-  32 1.09  63 1.40  81 1.40
 106  0.271  0.471  0.071-  33 1.09  72 1.40  82 1.40
 107  0.728  0.529  0.927-  34 1.09  73 1.40  83 1.40
 108  0.730  0.929  0.199-  35 1.09  68 1.40  84 1.40
 109  0.271  0.071  0.800-  36 1.09  69 1.40  85 1.40
 110  0.513  0.626  0.520-  38 1.28   1 1.98
 111  0.487  0.375  0.478-  39 1.28   2 2.02
 112  0.513  0.521  0.625-  41 1.29   1 1.96
 113  0.489  0.483  0.374-  40 1.28   2 1.96
 114  0.514  0.993  0.888-  43 1.29   3 1.97
 115  0.487  0.007  0.112-  42 1.29   4 1.97
 116  0.514  0.888  0.993-  44 1.29   3 1.97
 117  0.487  0.112  0.007-  45 1.29   4 1.97
 118  0.367  0.889  0.374-  46 1.29   5 1.97
 119  0.633  0.112  0.625-  47 1.29   6 1.97
 120  0.105  0.480  0.112-  48 1.29   7 1.97
 121  0.895  0.520  0.887-  49 1.29   8 1.97
 122  0.633  0.626  0.111-  50 1.29  10 1.97
 123  0.367  0.374  0.888-  51 1.29   9 1.97
 124  0.895  0.375  0.007-  53 1.29   7 1.97
 125  0.105  0.626  0.993-  52 1.29   8 1.97
 126  0.368  0.994  0.480-  55 1.29   5 1.97
 127  0.632  0.007  0.520-  54 1.29   6 1.97
 128  0.106  0.114  0.480-  57 1.29  11 1.97
 129  0.895  0.888  0.519-  56 1.29  12 1.97
 130  0.632  0.520  0.005-  59 1.29  10 1.97
 131  0.368  0.480  0.993-  58 1.29   9 1.97
 132  0.896  0.007  0.374-  60 1.29  11 1.97
 133  0.105  0.993  0.625-  61 1.29  12 1.97
 134  0.367  0.480  0.374-  40 1.28   1 1.97
 135  0.635  0.523  0.626-  41 1.28   2 2.02
 136  0.367  0.375  0.480-  39 1.28   1 1.96
 137  0.632  0.627  0.518-  38 1.28   2 1.95
 138  0.633  0.112  0.007-  43 1.29   4 1.97
 139  0.368  0.888  0.993-  42 1.29   3 1.97
 140  0.633  0.007  0.112-  44 1.29   4 1.97
 141  0.368  0.993  0.888-  45 1.29   3 1.97
 142  0.105  0.626  0.112-  52 1.29   7 1.97
 143  0.895  0.375  0.888-  53 1.29   8 1.97
 144  0.513  0.889  0.520-  54 1.29   5 1.97
 145  0.487  0.113  0.480-  55 1.29   6 1.97
 146  0.896  0.889  0.374-  60 1.29  12 1.97
 147  0.105  0.112  0.626-  61 1.29  11 1.97
 148  0.514  0.994  0.625-  47 1.29   5 1.97
 149  0.486  0.007  0.374-  46 1.29   6 1.97
 150  0.894  0.520  0.006-  49 1.29   7 1.97
 151  0.105  0.480  0.993-  48 1.29   8 1.97
 152  0.513  0.520  0.887-  59 1.29   9 1.97
 153  0.487  0.480  0.112-  58 1.29  10 1.97
 154  0.107  0.995  0.480-  57 1.29  12 1.97
 155  0.895  0.007  0.520-  56 1.29  11 1.97
 156  0.514  0.626  0.993-  50 1.29   9 1.97
 157  0.486  0.375  0.007-  51 1.29  10 1.97
 158  0.665  0.486  0.511-  37 0.97   2 1.82
 

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

 
 
 KPOINTS: KPOINTS created by Atomic Simulation Env

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      1 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 


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




 Dimension of arrays:
   k-points           NKPTS =      1   k-points in BZ     NKDIM =      1   number of bands    NBANDS=    460
   number of dos      NEDOS =    301   number of ions     NIONS =    158
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = ******
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  20337
   dimension x,y,z NGX =   140 NGY =  140 NGZ =  140
   dimension x,y,z NGXF=   280 NGYF=  280 NGZF=  280
   support grid    NGXF=   280 NGYF=  280 NGZF=  280
   ions per type =              12  25  72  49
 NGX,Y,Z   is equivalent  to a cutoff of  12.34, 12.34, 12.34 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  24.69, 24.69, 24.69 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =   140 NGY =  140 NGZ =  140
 SYSTEM =  unknown system                          
 POSCAR =  Cr  H  C  O                             

 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  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  520.0 eV  38.22 Ry    6.18 a.u.  35.06 35.06 35.06*2*pi/ulx,y,z
   ENINI  =  520.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =    250;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-05   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   0.00000   0.00000   0.00000
 Ionic relaxation
   EDIFFG = 0.1E-04   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   =      2    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 =****** mass=  -0.812E-26a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  52.00  1.00 12.01 16.00
  Ionic Valenz
   ZVAL   =  12.00  1.00  4.00  6.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00  1.00
   NELECT =     751.0000    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 =     0;   SIGMA  =   0.01  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     58    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 =  0.54E-09  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      30.01       202.49
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.885790  1.673900 10.675454  0.784624
  Thomas-Fermi vector in A             =   2.006870
 
 Write flags
   LWAVE  =      T    write 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 =     11    0 simple, 1 ext, 2 COOP (PROOUT)


 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
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 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
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser 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

 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



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


 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))
 preconditioned conjugated gradient                                        
 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           84
 reciprocal scheme for non local part
 use partial core corrections
 no Harris-corrections to forces 
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.01


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


  energy-cutoff  :      520.00
  volume of cell :     4741.03
      direct lattice vectors                 reciprocal lattice vectors
    18.855500000  0.000000000  0.000000000     0.053034923  0.030618493  0.043292866
    -9.427914984 16.330285975  0.000000000     0.000000000  0.061235915  0.021637831
    -9.427814987 -5.440614059 15.397152388     0.000000000  0.000000000  0.064947074

  length of vectors
    18.855500000 18.856400000 18.856200000     0.074996450  0.064946385  0.064947074


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      520.00
  volume of cell :     4741.03
      direct lattice vectors                 reciprocal lattice vectors
    18.855500000  0.000000000  0.000000000     0.053034923  0.030618493  0.043292866
    -9.427914984 16.330285975  0.000000000     0.000000000  0.061235915  0.021637831
    -9.427814987 -5.440614059 15.397152388     0.000000000  0.000000000  0.064947074

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: KPOINTS created by Atomic Simulation Env
   0.00000000  0.00000000  0.00000000       1.000
 
 k-points in reciprocal lattice and weights: KPOINTS created by Atomic Simulation Env
   0.00000000  0.00000000  0.00000000       1.000
 
 position of ions in fractional coordinates (direct lattice) 
   0.43763556  0.50007762  0.50016976
   0.57274838  0.50275667  0.49804859
   0.44971697  0.94967266  0.94939763
   0.55075447  0.05071347  0.05043465
   0.44948818  0.95008928  0.49974501
   0.55065329  0.05102794  0.49973786
   0.99989429  0.50032296  0.05021253
   0.00011954  0.50032631  0.94926449
   0.44942962  0.50010978  0.94914758
   0.55072430  0.50015464  0.05005471
   0.00021778  0.05102224  0.49990088
   0.00061194  0.95013899  0.49982619
   0.53251316  0.76686900  0.52733387
   0.46779882  0.23475505  0.47142418
   0.46823378  0.47352957  0.23413225
   0.53199806  0.52725715  0.76449461
   0.46691127  0.99553916  0.23321066
   0.53325677  0.00510207  0.76633781
   0.53341585  0.76670378  0.00467814
   0.46700341  0.23359854  0.99508270
   0.23788285  0.76704425  0.23310089
   0.76208772  0.23374952  0.76642938
   0.23892377  0.47285045  0.23364515
   0.76194433  0.52891433  0.76557208
   0.76247916  0.76688984  0.23321455
   0.23786323  0.23340665  0.76665930
   0.23828004  0.76684052  0.00460150
   0.76197307  0.23370177  0.99505802
   0.76159832  0.99518051  0.52741701
   0.23965715  0.00681624  0.47273547
   0.76031698  0.76584897  0.52645579
   0.24071618  0.23602630  0.47318685
   0.23889410  0.47242141  0.00496390
   0.76030252  0.52721744  0.99351683
   0.76213010  0.99542413  0.23325872
   0.23828445  0.00492789  0.76639951
   0.66907294  0.44207145  0.53750978
   0.59327036  0.66471402  0.52249986
   0.40696595  0.33715007  0.47587955
   0.40684878  0.47776847  0.33563414
   0.59476007  0.52481082  0.66341423
   0.40545917  0.92972860  0.07038249
   0.59495096  0.07072475  0.92937770
   0.59494417  0.92963936  0.07042341
   0.40548763  0.07069761  0.92934587
   0.40511827  0.92998092  0.33448328
   0.59493424  0.07088406  0.66503466
   0.14145194  0.47653002  0.07055850
   0.85844214  0.52392347  0.92853858
   0.59522984  0.66546838  0.07013894
   0.40508083  0.33480955  0.92944394
   0.14083517  0.66559586  0.07023117
   0.85925443  0.33504604  0.92936341
   0.59454752  0.92982750  0.52353447
   0.40613165  0.07179787  0.47612635
   0.85853505  0.92928494  0.52313375
   0.14255808  0.07247753  0.47682648
   0.40605442  0.47670558  0.07072152
   0.59355901  0.52329656  0.92789755
   0.85977565  0.93004542  0.33452614
   0.14082924  0.07064232  0.66521521
   0.64249028  0.75731302  0.52813857
   0.35822381  0.24450210  0.47112867
   0.35749304  0.47196822  0.24294427
   0.64310812  0.52934987  0.75602032
   0.35640484  0.88639079  0.11370869
   0.64384205  0.11415445  0.88594499
   0.64394092  0.88626816  0.11376519
   0.35644631  0.11403656  0.88597162
   0.35620813  0.88651519  0.24218894
   0.64387044  0.11421462  0.75736992
   0.22847862  0.47126446  0.11410357
   0.77137130  0.52910875  0.88474152
   0.64415883  0.75777894  0.11369245
   0.35621070  0.24250113  0.88608982
   0.22765255  0.75791230  0.11364244
   0.77246563  0.24273151  0.88596707
   0.64321566  0.88622976  0.52874647
   0.35774109  0.11563919  0.47103710
   0.77147226  0.88577289  0.52840810
   0.22967322  0.11615722  0.47161967
   0.35730559  0.47146628  0.11427373
   0.64224843  0.52856947  0.88426611
   0.77279950  0.88642418  0.24224479
   0.22763361  0.11395547  0.75752579
   0.60005367  0.80043080  0.52866529
   0.40063776  0.20132578  0.47067989
   0.40042263  0.47180393  0.20015259
   0.59970607  0.52884886  0.79854831
   0.39921017  0.92941998  0.19938817
   0.60095763  0.07121716  0.80020316
   0.60114236  0.80057224  0.07078127
   0.39926145  0.19972979  0.92898606
   0.27031448  0.80081740  0.19932257
   0.72973992  0.19991273  0.80024278
   0.27140195  0.47143585  0.19994476
   0.72906139  0.52965873  0.79911725
   0.73008550  0.80068498  0.19940116
   0.27029104  0.19962327  0.80042528
   0.27052502  0.80069421  0.07071178
   0.72968076  0.19987177  0.92892696
   0.72899642  0.92896811  0.52875556
   0.27214673  0.07297947  0.47127870
   0.72830662  0.79992595  0.52817559
   0.27270742  0.20192932  0.47152096
   0.27130927  0.47114151  0.07119888
   0.72817300  0.52881044  0.92740006
   0.72986975  0.92930199  0.19943103
   0.27053758  0.07103117  0.80027720
   0.51335634  0.62622949  0.52036895
   0.48665465  0.37476707  0.47811763
   0.51338969  0.52065486  0.62540785
   0.48858334  0.48286144  0.37361324
   0.51385978  0.99332129  0.88799732
   0.48661521  0.00709923  0.11180769
   0.51381246  0.88825373  0.99303817
   0.48663036  0.11211278  0.00672787
   0.36741292  0.88869360  0.37424647
   0.63265799  0.11227471  0.62532797
   0.10532452  0.48016748  0.11187198
   0.89478743  0.52036004  0.88741604
   0.63300133  0.62572994  0.11133098
   0.36724081  0.37445669  0.88808629
   0.89514286  0.37478066  0.00671163
   0.10497574  0.62586783  0.99289723
   0.36815118  0.99432149  0.47964518
   0.63236793  0.00726051  0.51993510
   0.10612146  0.11352058  0.48035636
   0.89472638  0.88807731  0.51949216
   0.63162399  0.51986364  0.00541334
   0.36810289  0.48023051  0.99323561
   0.89552230  0.00737200  0.37421270
   0.10503906  0.99338044  0.62536629
   0.36739180  0.47974604  0.37404968
   0.63520014  0.52317753  0.62625996
   0.36732627  0.37484444  0.47950230
   0.63191071  0.62657185  0.51763598
   0.63264547  0.11210891  0.00678242
   0.36783804  0.88830873  0.99302128
   0.63259823  0.00702281  0.11183561
   0.36786231  0.99331915  0.88795965
   0.10470470  0.62586122  0.11155959
   0.89532102  0.37475112  0.88799407
   0.51348947  0.88851646  0.51992991
   0.48715722  0.11292009  0.47966597
   0.89616871  0.88890232  0.37427375
   0.10469135  0.11200725  0.62559490
   0.51371758  0.99354523  0.62526172
   0.48631015  0.00732999  0.37419322
   0.89442105  0.52038070  0.00602059
   0.10544277  0.48013880  0.99312390
   0.51254192  0.51976524  0.88682177
   0.48708972  0.48032899  0.11195057
   0.10655300  0.99494819  0.48021022
   0.89456122  0.00678860  0.51965453
   0.51398507  0.62577295  0.99280176
   0.48637049  0.37461144  0.00672202
   0.66484150  0.48562218  0.51135754
 
 position of ions in cartesian coordinates  (Angst):
  -1.17836000  5.44518000  7.70119000
   1.36400000  5.50047000  7.66853000
  -9.42454000 10.34312000 14.61802000
   9.43114000  0.55377000  0.77655000
  -5.19354000 12.79631000  7.69465000
   5.19032000 -1.88558000  7.69454000
  13.66311000  7.89723000  0.77313000
 -13.66427000  3.00589000 14.61597000
  -5.18916000  3.00299000 14.61417000
   5.19686000  7.89534000  0.77070000
  -5.18990000 -1.88656000  7.69705000
 -13.65856000 12.79668000  7.69590000
  -2.16078000  9.65417000  8.11944000
   2.16283000  1.26878000  7.25859000
   2.15703000  6.45905000  3.60497000
  -2.14736000  4.45094000 11.77104000
  -2.78068000 14.98863000  3.59078000
   2.78183000 -4.08603000 11.79942000
   2.78530000 12.49504000  0.07203000
  -2.77822000 -1.59913000 15.32144000
  -4.94386000 11.25784000  3.58909000
   4.94002000 -0.35265000 11.80083000
  -2.15573000  6.45061000  3.59747000
   2.16261000  4.47214000 11.78763000
   4.94805000 11.25470000  3.59084000
  -4.94343000 -0.35950000 11.80437000
  -2.78020000 12.49769000  0.07085000
   2.78284000 -1.59731000 15.32106000
   0.00545000 13.38211000  8.12072000
  -0.00227000 -2.46066000  7.27878000
   2.15247000  9.64229000  8.10592000
  -2.14753000  1.27995000  7.28573000
   0.00372000  7.68777000  0.07643000
  -0.00137000  3.20427000 15.29733000
   2.78645000 14.98649000  3.59152000
  -2.77896000 -4.08921000 11.80037000
   3.38035000  4.29477000  8.27612000
  -0.00649000  8.01225000  8.04501000
   0.00842000  2.91668000  7.32719000
   0.00268000  5.97604000  5.16781000
   0.01208000  4.96093000 10.21469000
  -1.78382000 14.79981000  1.08369000
   1.78931000 -3.90143000 14.30977000
   1.78947000 14.79813000  1.08432000
  -1.78256000 -3.90170000 14.30928000
  -4.28252000 13.36706000  5.15009000
   4.27967000 -2.46064000 10.23964000
  -2.49075000  7.39799000  1.08640000
   2.49276000  3.50400000 14.29685000
   4.28812000 10.48569000  1.07994000
  -4.28118000  0.41079000 14.31079000
  -4.28179000 10.48727000  1.08136000
   4.28102000  0.41509000 14.30955000
  -2.49163000 12.33600000  8.06094000
   2.49208000 -1.41794000  7.33099000
   2.49488000 12.32932000  8.05477000
  -2.49074000 -1.41065000  7.34177000
   2.49527000  7.39997000  1.08891000
  -2.48979000  3.49725000 14.28698000
   4.28926000 13.36788000  5.15075000
  -4.28213000 -2.46557000 10.24242000
  -0.00460000  9.49374000  8.13183000
   0.00763000  1.42956000  7.25404000
   0.00060000  6.38561000  3.74065000
   0.00784000  4.53122000 11.64056000
  -2.70865000 13.85637000  1.75079000
   2.71120000 -2.95591000 13.64103000
   2.71361000 13.85406000  1.75166000
  -2.70693000 -2.95798000 13.64144000
  -3.92482000 13.15939000  3.72902000
   3.92335000 -2.25540000 11.66134000
  -1.21071000  7.07509000  1.75687000
   1.21502000  3.82696000 13.62250000
   3.92979000 11.75619000  1.75054000
  -3.92364000 -0.86076000 13.64326000
  -3.92443000 11.75864000  1.74977000
   3.92404000 -0.85633000 13.64137000
  -1.21207000 11.59568000  8.14119000
   1.21430000 -0.67431000  7.25263000
   1.21377000 11.59006000  8.13598000
  -1.21086000 -0.66902000  7.26160000
   1.21488000  7.07746000  1.75949000
  -1.21009000  3.82074000 13.61518000
   3.93055000 13.15760000  3.72988000
  -3.92403000 -2.26048000 11.66374000
  -1.21624000 10.19500000  8.13994000
   1.21866000  0.72692000  7.24713000
   1.21504000  6.61574000  3.08178000
  -1.20675000  4.29166000 12.29537000
  -3.11498000 14.09290000  3.07001000
   3.11576000 -3.19060000 12.32085000
   3.11980000 12.68848000  1.08983000
  -3.11307000 -1.79261000 14.30374000
  -4.33230000 11.99314000  3.06900000
   4.33031000 -1.08918000 12.32146000
  -1.21228000  6.61086000  3.07858000
   1.21931000  4.30179000 12.30413000
   4.33742000 11.99055000  3.07021000
  -4.33182000 -1.09490000 12.32427000
  -3.11465000 12.69085000  1.08876000
   3.11637000 -1.78997000 14.30283000
   0.00235000 12.29356000  8.14133000
   0.00029000 -1.37227000  7.25635000
   1.21141000 10.18942000  8.13240000
  -1.20715000  0.73220000  7.26008000
   0.00254000  7.30651000  1.09626000
   0.00113000  3.59000000 14.27932000
   3.12048000 14.09074000  3.07067000
  -3.11342000 -3.19404000 12.32199000
  -1.13039000  7.39538000  8.01220000
   1.13524000  3.51880000  7.36165000
  -1.12470000  5.09984000  9.62950000
   1.13775000  5.85258000  5.75258000
  -8.04774000 11.38997000 13.67263000
   8.05434000 -0.49237000  1.72152000
  -8.04837000  9.10270000 15.28996000
   8.05524000  1.79423000  0.10359000
  -4.97910000 12.47649000  5.76233000
   4.97509000 -1.56869000  9.62827000
  -3.59574000  7.23262000  1.72251000
   3.59936000  3.66954000 13.66368000
   4.98662000  9.61264000  1.71418000
  -4.97855000  1.28325000 13.67400000
  13.28169000  6.08376000  0.10334000
 -13.28211000  4.81863000 15.28779000
  -6.95471000 13.62799000  7.38517000
   6.95331000 -2.71020000  8.00552000
  -3.59800000 -0.75961000  7.39612000
   3.60012000 11.67620000  7.99870000
   6.95732000  8.46007000  0.08335000
  -6.95085000  2.43849000 15.29300000
  13.28801000 -1.91556000  5.76181000
 -13.28078000 12.81981000  9.62886000
  -1.12212000  5.79933000  5.75930000
   1.14028000  5.13640000  9.64262000
  -1.12854000  3.51253000  7.38297000
   1.12755000  7.41584000  7.97012000
  10.80795000  1.79387000  0.10443000
 -10.80115000  9.10369000 15.28970000
  10.80738000 -0.49377000  1.72195000
 -10.80022000 11.39014000 13.67205000
  -4.97807000  9.61354000  1.71770000
   4.97676000  1.28856000 13.67258000
  -3.59656000 11.68099000  8.00544000
   3.59879000 -0.76566000  7.38549000
   4.98863000 12.47975000  5.76275000
  -4.97998000 -1.57451000  9.63238000
  -5.57551000 12.82307000  9.62725000
   5.57269000 -1.91614000  5.76151000
  11.90189000  8.46521000  0.09270000
 -11.90152000  2.43760000 15.29128000
  -3.59686000  3.66306000 13.65453000
   3.60037000  7.23483000  1.72372000
 -11.89851000 13.63515000  7.39387000
  11.90419000 -2.71638000  8.00120000
  -5.56824000  4.81760000 15.28632000
   5.57558000  6.08094000  0.10350000
   3.13653000  5.14825000  7.87345000
 


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


 use parallel FFT for wavefunctions z direction half grid
 k-point  1 :   0.0000 0.0000 0.0000  plane waves:   63792

 maximum and minimum number of plane-waves per node :      6382     6376

 maximum number of plane-waves:     63792
 maximum index in each direction: 
   IXMAX=   29   IYMAX=   35   IZMAX=   35
   IXMIN=  -35   IYMIN=  -35   IZMIN=    0

 NGX is ok and might be reduce to 130
 WARNING: aliasing errors must be expected set NGY to 142 to avoid them
 WARNING: aliasing errors must be expected set NGZ to 142 to avoid them
 aliasing errors are usually negligible using standard VASP settings
 and one can safely disregard these warnings

 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)


 total amount of memory used by VASP on root node   137013. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      19834. kBytes
   fftplans  :      13655. kBytes
   grid      :      44728. kBytes
   one-center:        248. kBytes
   wavefun   :      28548. kBytes
 
     INWAV:  cpu time    3.7003: real time    3.7014
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 71   NGY = 71   NGZ = 71
  (NGX  =280   NGY  =280   NGZ  =280)
  gives a total of 357911 points

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


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


 Maximum index for augmentation-charges          693 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.106
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

 FEWALD executed in parallel
    FEWALD:  cpu time    0.0113: real time    0.0127


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


    POTLOK:  cpu time    0.7628: real time    0.7656
    SETDIJ:  cpu time    0.0373: real time    0.0512
    TRIAL :  cpu time    7.1062: real time    7.1554
    CORREC:  cpu time    3.4190: real time    3.4229
    CHARGE:  cpu time    0.9745: real time    0.9746
    --------------------------------------------
      LOOP:  cpu time   12.3136: real time   12.3842

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1212739E+04  (-0.1087495E-05)
 number of electron     751.0000062 magnetization       0.9999995
 augmentation part      110.4459838 magnetization       0.4196360

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       589.21431160
  Ewald energy   TEWEN  =     36022.96748752
  -Hartree energ DENC   =    -81257.49314931
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3107.61357029
  PAW double counting   =     73666.14387824   -74408.57012691
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =    -10799.99555048
  atomic energy  EATOM  =     51867.38012705
  ---------------------------------------------------
  free energy    TOTEN  =     -1212.73945201 eV

  energy without entropy =    -1212.73945201  energy(sigma->0) =    -1212.73945201


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




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


    POTLOK:  cpu time    0.7441: real time    0.7441
    SETDIJ:  cpu time    0.0400: real time    0.0400
    TRIAL :  cpu time    6.9630: real time    7.0051
    CORREC:  cpu time    3.3762: real time    3.3770
    CHARGE:  cpu time    0.9702: real time    0.9726
    --------------------------------------------
      LOOP:  cpu time   12.0944: real time   12.1403

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1087443E-05  (-0.6164278E-06)
 number of electron     751.0000062 magnetization       0.9999995
 augmentation part      110.4459759 magnetization       0.4196560

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       589.21431160
  Ewald energy   TEWEN  =     36022.96748752
  -Hartree energ DENC   =    -81257.46772339
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3107.61310630
  PAW double counting   =     73666.13504584   -74408.56097371
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =    -10800.02083431
  atomic energy  EATOM  =     51867.38012705
  ---------------------------------------------------
  free energy    TOTEN  =     -1212.73945310 eV

  energy without entropy =    -1212.73945310  energy(sigma->0) =    -1212.73945310


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




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


    POTLOK:  cpu time    0.7474: real time    0.7476
    SETDIJ:  cpu time    0.0405: real time    0.0405
    TRIAL :  cpu time    7.0246: real time    7.0566
    CORREC:  cpu time    3.3494: real time    3.3508
    CHARGE:  cpu time    0.9698: real time    0.9699
    --------------------------------------------
      LOOP:  cpu time   12.1328: real time   12.1665

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6163536E-06  (-0.3453971E-06)
 number of electron     751.0000062 magnetization       0.9999995
 augmentation part      110.4459951 magnetization       0.4196440

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       589.21431160
  Ewald energy   TEWEN  =     36022.96748752
  -Hartree energ DENC   =    -81257.45562872
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3107.61289928
  PAW double counting   =     73666.14213661   -74408.56799173
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =    -10800.03279532
  atomic energy  EATOM  =     51867.38012705
  ---------------------------------------------------
  free energy    TOTEN  =     -1212.73945371 eV

  energy without entropy =    -1212.73945371  energy(sigma->0) =    -1212.73945371


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


  average scaling for gradient   0.9871


 average (electrostatic) potential at core
  the test charge radii are     1.0025  0.5201  0.6991  0.7215
  (the norm of the test charge is              1.0000)
       1 -78.5165       2 -79.2844       3 -78.8526       4 -78.8522       5 -78.8716
       6 -78.8724       7 -78.8597       8 -78.8612       9 -78.8487      10 -78.8490
      11 -78.8564      12 -78.8568      13 -40.3340      14 -40.2926      15 -40.2624
      16 -40.2724      17 -40.2783      18 -40.2871      19 -40.2748      20 -40.2684
      21 -40.2865      22 -40.2924      23 -40.3203      24 -40.2369      25 -40.2682
      26 -40.2757      27 -40.2754      28 -40.2854      29 -40.3074      30 -40.2856
      31 -40.2818      32 -40.2909      33 -40.2957      34 -40.2685      35 -40.2758
      36 -40.2694      37 -41.7752      38 -60.1148      39 -59.9699      40 -60.0810
      41 -59.9296      42 -59.9000      43 -59.9039      44 -59.8999      45 -59.8966
      46 -59.9142      47 -59.9184      48 -59.9165      49 -59.8996      50 -59.8962
      51 -59.8963      52 -59.9065      53 -59.9108      54 -59.9284      55 -59.9178
      56 -59.9106      57 -59.9078      58 -59.9010      59 -59.8959      60 -59.9012
      61 -59.9008      62 -57.5935      63 -57.5450      64 -57.5741      65 -57.5145
      66 -57.5491      67 -57.5563      68 -57.5452      69 -57.5430      70 -57.5541
      71 -57.5598      72 -57.5732      73 -57.5375      74 -57.5457      75 -57.5422
      76 -57.5522      77 -57.5576      78 -57.5860      79 -57.5610      80 -57.5792
      81 -57.5608      82 -57.5647      83 -57.5408      84 -57.5466      85 -57.5436
      86 -57.4113      87 -57.3742      88 -57.3775      89 -57.3535      90 -57.3654
      91 -57.3725      92 -57.3597      93 -57.3568      94 -57.3692      95 -57.3741
      96 -57.3971      97 -57.3406      98 -57.3605      99 -57.3579     100 -57.3647
     101 -57.3713     102 -57.4040     103 -57.3759     104 -57.3956     105 -57.3752
     106 -57.3908     107 -57.3559     108 -57.3596     109 -57.3580     110 -78.9736
     111 -78.8013     112 -78.8394     113 -79.0025     114 -78.8483     115 -78.8460
     116 -78.8457     117 -78.8415     118 -78.8613     119 -78.8640     120 -78.8583
     121 -78.8459     122 -78.8398     123 -78.8417     124 -78.8566     125 -78.8511
     126 -78.8607     127 -78.8715     128 -78.8496     129 -78.8467     130 -78.8351
     131 -78.8451     132 -78.8451     133 -78.8465     134 -78.9481     135 -78.7377
     136 -78.8713     137 -79.0599     138 -78.8482     139 -78.8461     140 -78.8453
     141 -78.8420     142 -78.8526     143 -78.8560     144 -78.8702     145 -78.8646
     146 -78.8458     147 -78.8462     148 -78.8648     149 -78.8598     150 -78.8444
     151 -78.8583     152 -78.8394     153 -78.8389     154 -78.8456     155 -78.8530
     156 -78.8396     157 -78.8416     158 -77.5092
 
 
 
 E-fermi :  -2.2848     XC(G=0):  -4.0380     alpha+bet : -3.0182


 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -46.5489      1.00000
      2     -46.5137      1.00000
      3     -46.4810      1.00000
      4     -46.4693      1.00000
      5     -46.4643      1.00000
      6     -46.4605      1.00000
      7     -46.4563      1.00000
      8     -46.4034      1.00000
      9     -46.0941      1.00000
     10     -46.0883      1.00000
     11     -46.0829      1.00000
     12     -46.0802      1.00000
     13     -46.0772      1.00000
     14     -46.0744      1.00000
     15     -46.0733      1.00000
     16     -46.0720      1.00000
     17     -46.0677      1.00000
     18     -46.0664      1.00000
     19     -44.7355      1.00000
     20     -44.5267      1.00000
     21     -44.5146      1.00000
     22     -44.5097      1.00000
     23     -44.5086      1.00000
     24     -44.5094      1.00000
     25     -44.5023      1.00000
     26     -44.4976      1.00000
     27     -44.4921      1.00000
     28     -44.4920      1.00000
     29     -44.4850      1.00000
     30     -44.2197      1.00000
     31     -44.0475      1.00000
     32     -43.8036      1.00000
     33     -43.7918      1.00000
     34     -43.7879      1.00000
     35     -43.7842      1.00000
     36     -43.7804      1.00000
     37     -25.5399      1.00000
     38     -25.5121      1.00000
     39     -25.5004      1.00000
     40     -25.4952      1.00000
     41     -25.4922      1.00000
     42     -25.4869      1.00000
     43     -25.3568      1.00000
     44     -25.3077      1.00000
     45     -25.2962      1.00000
     46     -25.2918      1.00000
     47     -25.2891      1.00000
     48     -25.2868      1.00000
     49     -25.2826      1.00000
     50     -25.2790      1.00000
     51     -25.2700      1.00000
     52     -25.2682      1.00000
     53     -25.2637      1.00000
     54     -25.2598      1.00000
     55     -25.2575      1.00000
     56     -25.2547      1.00000
     57     -25.2542      1.00000
     58     -25.2503      1.00000
     59     -25.2449      1.00000
     60     -25.1812      1.00000
     61     -23.2024      1.00000
     62     -23.0443      1.00000
     63     -23.0331      1.00000
     64     -23.0314      1.00000
     65     -23.0268      1.00000
     66     -23.0253      1.00000
     67     -23.0192      1.00000
     68     -22.9672      1.00000
     69     -22.8851      1.00000
     70     -22.8528      1.00000
     71     -22.8417      1.00000
     72     -22.8352      1.00000
     73     -22.8349      1.00000
     74     -22.8331      1.00000
     75     -22.8288      1.00000
     76     -22.8279      1.00000
     77     -22.8238      1.00000
     78     -22.8186      1.00000
     79     -22.8166      1.00000
     80     -22.8162      1.00000
     81     -22.8128      1.00000
     82     -22.8111      1.00000
     83     -22.8102      1.00000
     84     -22.8044      1.00000
     85     -21.2246      1.00000
     86     -19.9719      1.00000
     87     -19.9565      1.00000
     88     -19.9483      1.00000
     89     -19.9378      1.00000
     90     -19.9360      1.00000
     91     -19.9338      1.00000
     92     -19.9266      1.00000
     93     -19.9114      1.00000
     94     -17.5153      1.00000
     95     -17.5131      1.00000
     96     -17.5002      1.00000
     97     -17.4955      1.00000
     98     -17.4911      1.00000
     99     -17.4751      1.00000
    100     -17.4712      1.00000
    101     -17.4647      1.00000
    102     -17.4624      1.00000
    103     -17.4605      1.00000
    104     -17.4590      1.00000
    105     -17.4501      1.00000
    106     -17.4494      1.00000
    107     -17.4436      1.00000
    108     -17.4427      1.00000
    109     -17.4163      1.00000
    110     -14.3754      1.00000
    111     -14.3670      1.00000
    112     -14.3484      1.00000
    113     -14.3415      1.00000
    114     -14.3386      1.00000
    115     -14.2897      1.00000
    116     -14.2794      1.00000
    117     -14.2721      1.00000
    118     -14.2661      1.00000
    119     -14.2627      1.00000
    120     -14.2614      1.00000
    121     -14.2560      1.00000
    122     -14.2498      1.00000
    123     -14.2473      1.00000
    124     -14.2450      1.00000
    125     -14.2295      1.00000
    126     -13.9654      1.00000
    127     -13.7987      1.00000
    128     -13.7862      1.00000
    129     -13.7783      1.00000
    130     -13.6557      1.00000
    131     -13.6478      1.00000
    132     -13.6363      1.00000
    133     -13.6326      1.00000
    134     -11.7759      1.00000
    135     -11.6973      1.00000
    136     -11.6276      1.00000
    137     -11.6220      1.00000
    138     -11.5938      1.00000
    139     -11.4548      1.00000
    140     -11.4294      1.00000
    141     -11.3981      1.00000
    142     -11.3878      1.00000
    143     -11.3733      1.00000
    144     -11.3679      1.00000
    145     -11.3608      1.00000
    146     -11.3589      1.00000
    147     -11.3548      1.00000
    148     -11.3346      1.00000
    149     -11.3273      1.00000
    150     -11.0564      1.00000
    151     -11.0394      1.00000
    152     -10.9757      1.00000
    153     -10.9645      1.00000
    154     -10.9577      1.00000
    155     -10.9465      1.00000
    156     -10.9354      1.00000
    157     -10.9246      1.00000
    158     -10.8954      1.00000
    159     -10.8617      1.00000
    160     -10.8503      1.00000
    161     -10.6855      1.00000
    162     -10.6091      1.00000
    163     -10.5664      1.00000
    164     -10.5488      1.00000
    165     -10.5438      1.00000
    166     -10.5368      1.00000
    167     -10.5011      1.00000
    168     -10.4940      1.00000
    169     -10.2669      1.00000
    170     -10.1333      1.00000
    171     -10.1165      1.00000
    172     -10.0418      1.00000
    173     -10.0111      1.00000
    174      -9.9582      1.00000
    175      -9.9369      1.00000
    176      -9.9231      1.00000
    177      -9.9000      1.00000
    178      -9.8989      1.00000
    179      -9.8925      1.00000
    180      -9.8632      1.00000
    181      -9.8534      1.00000
    182      -9.8524      1.00000
    183      -9.8238      1.00000
    184      -9.8127      1.00000
    185      -9.8089      1.00000
    186      -9.7776      1.00000
    187      -9.7632      1.00000
    188      -9.7570      1.00000
    189      -9.7566      1.00000
    190      -9.7527      1.00000
    191      -9.7433      1.00000
    192      -9.7353      1.00000
    193      -9.7262      1.00000
    194      -9.7208      1.00000
    195      -9.7128      1.00000
    196      -9.7001      1.00000
    197      -9.6979      1.00000
    198      -9.6935      1.00000
    199      -9.6867      1.00000
    200      -9.6794      1.00000
    201      -9.6718      1.00000
    202      -9.6632      1.00000
    203      -9.6613      1.00000
    204      -9.6579      1.00000
    205      -9.6424      1.00000
    206      -9.5771      1.00000
    207      -9.5733      1.00000
    208      -9.5686      1.00000
    209      -9.5132      1.00000
    210      -9.5059      1.00000
    211      -9.5010      1.00000
    212      -9.4369      1.00000
    213      -9.3426      1.00000
    214      -9.3301      1.00000
    215      -9.3230      1.00000
    216      -9.1869      1.00000
    217      -9.1686      1.00000
    218      -9.1158      1.00000
    219      -9.1007      1.00000
    220      -9.0915      1.00000
    221      -9.0680      1.00000
    222      -9.0486      1.00000
    223      -9.0207      1.00000
    224      -8.9986      1.00000
    225      -8.9734      1.00000
    226      -8.9677      1.00000
    227      -8.9409      1.00000
    228      -8.9271      1.00000
    229      -8.9046      1.00000
    230      -8.8972      1.00000
    231      -8.8860      1.00000
    232      -8.8662      1.00000
    233      -8.8534      1.00000
    234      -8.8437      1.00000
    235      -8.7539      1.00000
    236      -8.5980      1.00000
    237      -8.5733      1.00000
    238      -8.5668      1.00000
    239      -7.5350      1.00000
    240      -7.4137      1.00000
    241      -7.4068      1.00000
    242      -7.4017      1.00000
    243      -7.3975      1.00000
    244      -7.3941      1.00000
    245      -7.3629      1.00000
    246      -7.3463      1.00000
    247      -7.3307      1.00000
    248      -7.3229      1.00000
    249      -7.3193      1.00000
    250      -7.2732      1.00000
    251      -7.2645      1.00000
    252      -7.2515      1.00000
    253      -7.2414      1.00000
    254      -7.2367      1.00000
    255      -7.2279      1.00000
    256      -7.2249      1.00000
    257      -7.2206      1.00000
    258      -7.2147      1.00000
    259      -7.2116      1.00000
    260      -7.2002      1.00000
    261      -7.1825      1.00000
    262      -7.1817      1.00000
    263      -7.1749      1.00000
    264      -7.0925      1.00000
    265      -7.0827      1.00000
    266      -7.0165      1.00000
    267      -6.8371      1.00000
    268      -6.6869      1.00000
    269      -6.6748      1.00000
    270      -6.6676      1.00000
    271      -6.6666      1.00000
    272      -6.6591      1.00000
    273      -6.6077      1.00000
    274      -6.5889      1.00000
    275      -6.5393      1.00000
    276      -6.5222      1.00000
    277      -6.5160      1.00000
    278      -6.4484      1.00000
    279      -6.4419      1.00000
    280      -6.3647      1.00000
    281      -6.2712      1.00000
    282      -6.2527      1.00000
    283      -6.2487      1.00000
    284      -6.1121      1.00000
    285      -5.8743      1.00000
    286      -5.8065      1.00000
    287      -5.7848      1.00000
    288      -5.7767      1.00000
    289      -5.7538      1.00000
    290      -5.7460      1.00000
    291      -5.7419      1.00000
    292      -5.7355      1.00000
    293      -5.7311      1.00000
    294      -5.7260      1.00000
    295      -5.6984      1.00000
    296      -5.6948      1.00000
    297      -5.6851      1.00000
    298      -5.6823      1.00000
    299      -5.6801      1.00000
    300      -5.6552      1.00000
    301      -5.6471      1.00000
    302      -5.6436      1.00000
    303      -5.6344      1.00000
    304      -5.6049      1.00000
    305      -5.6033      1.00000
    306      -5.5991      1.00000
    307      -5.5807      1.00000
    308      -5.5802      1.00000
    309      -5.5692      1.00000
    310      -5.5592      1.00000
    311      -5.5582      1.00000
    312      -5.5548      1.00000
    313      -5.5543      1.00000
    314      -5.5440      1.00000
    315      -5.5438      1.00000
    316      -5.5385      1.00000
    317      -5.4807      1.00000
    318      -5.3123      1.00000
    319      -5.1649      1.00000
    320      -5.1623      1.00000
    321      -5.1387      1.00000
    322      -5.1326      1.00000
    323      -5.0925      1.00000
    324      -5.0850      1.00000
    325      -5.0749      1.00000
    326      -5.0686      1.00000
    327      -5.0662      1.00000
    328      -5.0634      1.00000
    329      -5.0556      1.00000
    330      -5.0540      1.00000
    331      -5.0528      1.00000
    332      -5.0494      1.00000
    333      -5.0463      1.00000
    334      -5.0378      1.00000
    335      -5.0327      1.00000
    336      -5.0215      1.00000
    337      -5.0082      1.00000
    338      -5.0039      1.00000
    339      -4.9985      1.00000
    340      -4.9914      1.00000
    341      -4.9106      1.00000
    342      -4.9071      1.00000
    343      -4.8998      1.00000
    344      -4.8480      1.00000
    345      -4.8374      1.00000
    346      -4.8315      1.00000
    347      -4.8207      1.00000
    348      -4.8161      1.00000
    349      -4.8018      1.00000
    350      -4.7978      1.00000
    351      -4.7931      1.00000
    352      -4.4519      1.00000
    353      -3.9433      1.00000
    354      -3.9314      1.00000
    355      -3.9268      1.00000
    356      -3.9226      1.00000
    357      -3.9190      1.00000
    358      -3.7516      1.00000
    359      -3.7495      1.00000
    360      -3.7389      1.00000
    361      -3.7382      1.00000
    362      -3.7345      1.00000
    363      -3.7329      1.00000
    364      -3.7298      1.00000
    365      -3.7296      1.00000
    366      -3.7270      1.00000
    367      -3.7241      1.00000
    368      -3.5621      1.00000
    369      -3.1377      1.00000
    370      -3.1010      1.00000
    371      -2.9913      1.00000
    372      -2.8520      1.00000
    373      -2.8164      1.00000
    374      -2.8130      1.00000
    375      -2.7912      1.00000
    376      -2.7876      1.00000
    377      -1.0977      0.00000
    378      -0.9961      0.00000
    379      -0.9697      0.00000
    380      -0.9589      0.00000
    381      -0.9496      0.00000
    382      -0.8635      0.00000
    383      -0.8055      0.00000
    384      -0.8010      0.00000
    385      -0.7855      0.00000
    386      -0.7784      0.00000
    387      -0.7609      0.00000
    388      -0.7528      0.00000
    389      -0.7473      0.00000
    390      -0.6963      0.00000
    391      -0.6234      0.00000
    392      -0.6164      0.00000
    393      -0.6140      0.00000
    394      -0.4404      0.00000
    395      -0.3027      0.00000
    396      -0.3011      0.00000
    397      -0.2705      0.00000
    398      -0.1692      0.00000
    399      -0.1153      0.00000
    400      -0.0956      0.00000
    401      -0.0881      0.00000
    402      -0.0845      0.00000
    403      -0.0812      0.00000
    404      -0.0776      0.00000
    405      -0.0752      0.00000
    406      -0.0735      0.00000
    407      -0.0717      0.00000
    408      -0.0673      0.00000
    409      -0.0636      0.00000
    410      -0.0357      0.00000
    411       0.0131      0.00000
    412       0.1528      0.00000
    413       0.1901      0.00000
    414       0.2400      0.00000
    415       0.2525      0.00000
    416       0.2571      0.00000
    417       0.2947      0.00000
    418       0.3012      0.00000
    419       0.3229      0.00000
    420       0.3467      0.00000
    421       0.3690      0.00000
    422       0.5238      0.00000
    423       0.5358      0.00000
    424       0.5411      0.00000
    425       0.5471      0.00000
    426       0.5525      0.00000
    427       0.5990      0.00000
    428       0.6137      0.00000
    429       0.6246      0.00000
    430       0.6835      0.00000
    431       0.8863      0.00000
    432       1.0760      0.00000
    433       1.0871      0.00000
    434       1.0949      0.00000
    435       1.1016      0.00000
    436       1.1270      0.00000
    437       1.2428      0.00000
    438       1.6719      0.00000
    439       1.7920      0.00000
    440       1.9053      0.00000
    441       1.9447      0.00000
    442       2.0120      0.00000
    443       2.0580      0.00000
    444       2.0644      0.00000
    445       2.0892      0.00000
    446       2.1147      0.00000
    447       2.1957      0.00000
    448       2.2191      0.00000
    449       2.2327      0.00000
    450       2.2514      0.00000
    451       2.2618      0.00000
    452       2.5202      0.00000
    453       2.5512      0.00000
    454       2.5624      0.00000
    455       2.5840      0.00000
    456       2.5912      0.00000
    457       2.5980      0.00000
    458       2.6091      0.00000
    459       2.6440      0.00000
    460       2.6470      0.00000

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -46.9980      1.00000
      2     -46.7961      1.00000
      3     -46.7159      1.00000
      4     -46.4805      1.00000
      5     -46.4683      1.00000
      6     -46.4640      1.00000
      7     -46.4602      1.00000
      8     -46.4566      1.00000
      9     -46.0933      1.00000
     10     -46.0876      1.00000
     11     -46.0817      1.00000
     12     -46.0802      1.00000
     13     -46.0760      1.00000
     14     -46.0744      1.00000
     15     -46.0729      1.00000
     16     -46.0720      1.00000
     17     -46.0673      1.00000
     18     -46.0663      1.00000
     19     -44.5277      1.00000
     20     -44.5163      1.00000
     21     -44.5106      1.00000
     22     -44.5097      1.00000
     23     -44.5090      1.00000
     24     -44.5024      1.00000
     25     -44.4993      1.00000
     26     -44.4922      1.00000
     27     -44.4926      1.00000
     28     -44.4852      1.00000
     29     -43.8041      1.00000
     30     -43.7927      1.00000
     31     -43.7879      1.00000
     32     -43.7844      1.00000
     33     -43.7804      1.00000
     34     -43.5072      1.00000
     35     -43.4677      1.00000
     36     -42.8124      1.00000
     37     -25.5368      1.00000
     38     -25.5120      1.00000
     39     -25.5004      1.00000
     40     -25.4952      1.00000
     41     -25.4923      1.00000
     42     -25.4869      1.00000
     43     -25.3554      1.00000
     44     -25.3077      1.00000
     45     -25.2961      1.00000
     46     -25.2915      1.00000
     47     -25.2879      1.00000
     48     -25.2845      1.00000
     49     -25.2822      1.00000
     50     -25.2789      1.00000
     51     -25.2700      1.00000
     52     -25.2682      1.00000
     53     -25.2636      1.00000
     54     -25.2598      1.00000
     55     -25.2574      1.00000
     56     -25.2547      1.00000
     57     -25.2542      1.00000
     58     -25.2503      1.00000
     59     -25.2449      1.00000
     60     -25.1778      1.00000
     61     -23.2049      1.00000
     62     -23.0443      1.00000
     63     -23.0353      1.00000
     64     -23.0326      1.00000
     65     -23.0268      1.00000
     66     -23.0253      1.00000
     67     -23.0192      1.00000
     68     -22.9675      1.00000
     69     -22.8862      1.00000
     70     -22.8528      1.00000
     71     -22.8417      1.00000
     72     -22.8353      1.00000
     73     -22.8349      1.00000
     74     -22.8331      1.00000
     75     -22.8289      1.00000
     76     -22.8279      1.00000
     77     -22.8239      1.00000
     78     -22.8186      1.00000
     79     -22.8166      1.00000
     80     -22.8162      1.00000
     81     -22.8128      1.00000
     82     -22.8111      1.00000
     83     -22.8102      1.00000
     84     -22.8044      1.00000
     85     -21.1985      1.00000
     86     -19.9715      1.00000
     87     -19.9561      1.00000
     88     -19.9482      1.00000
     89     -19.9377      1.00000
     90     -19.9356      1.00000
     91     -19.9335      1.00000
     92     -19.9266      1.00000
     93     -19.9107      1.00000
     94     -17.5150      1.00000
     95     -17.5125      1.00000
     96     -17.4998      1.00000
     97     -17.4954      1.00000
     98     -17.4909      1.00000
     99     -17.4749      1.00000
    100     -17.4711      1.00000
    101     -17.4645      1.00000
    102     -17.4624      1.00000
    103     -17.4605      1.00000
    104     -17.4587      1.00000
    105     -17.4501      1.00000
    106     -17.4494      1.00000
    107     -17.4427      1.00000
    108     -17.4425      1.00000
    109     -17.4151      1.00000
    110     -14.3724      1.00000
    111     -14.3666      1.00000
    112     -14.3479      1.00000
    113     -14.3407      1.00000
    114     -14.3381      1.00000
    115     -14.2887      1.00000
    116     -14.2788      1.00000
    117     -14.2714      1.00000
    118     -14.2655      1.00000
    119     -14.2623      1.00000
    120     -14.2612      1.00000
    121     -14.2544      1.00000
    122     -14.2497      1.00000
    123     -14.2469      1.00000
    124     -14.2447      1.00000
    125     -14.2262      1.00000
    126     -13.9634      1.00000
    127     -13.7970      1.00000
    128     -13.7847      1.00000
    129     -13.7778      1.00000
    130     -13.6536      1.00000
    131     -13.6478      1.00000
    132     -13.6362      1.00000
    133     -13.6307      1.00000
    134     -11.7694      1.00000
    135     -11.6974      1.00000
    136     -11.6266      1.00000
    137     -11.6197      1.00000
    138     -11.5935      1.00000
    139     -11.4526      1.00000
    140     -11.4216      1.00000
    141     -11.3967      1.00000
    142     -11.3851      1.00000
    143     -11.3683      1.00000
    144     -11.3678      1.00000
    145     -11.3605      1.00000
    146     -11.3596      1.00000
    147     -11.3540      1.00000
    148     -11.3343      1.00000
    149     -11.3264      1.00000
    150     -11.0539      1.00000
    151     -11.0336      1.00000
    152     -10.9757      1.00000
    153     -10.9620      1.00000
    154     -10.9567      1.00000
    155     -10.9439      1.00000
    156     -10.9340      1.00000
    157     -10.9243      1.00000
    158     -10.8930      1.00000
    159     -10.8610      1.00000
    160     -10.8501      1.00000
    161     -10.6826      1.00000
    162     -10.6063      1.00000
    163     -10.5649      1.00000
    164     -10.5489      1.00000
    165     -10.5402      1.00000
    166     -10.5367      1.00000
    167     -10.5005      1.00000
    168     -10.4935      1.00000
    169     -10.2590      1.00000
    170     -10.1324      1.00000
    171     -10.1148      1.00000
    172     -10.0411      1.00000
    173     -10.0079      1.00000
    174      -9.9525      1.00000
    175      -9.9328      1.00000
    176      -9.9204      1.00000
    177      -9.8990      1.00000
    178      -9.8960      1.00000
    179      -9.8919      1.00000
    180      -9.8617      1.00000
    181      -9.8525      1.00000
    182      -9.8513      1.00000
    183      -9.8156      1.00000
    184      -9.8125      1.00000
    185      -9.8087      1.00000
    186      -9.7747      1.00000
    187      -9.7610      1.00000
    188      -9.7567      1.00000
    189      -9.7562      1.00000
    190      -9.7513      1.00000
    191      -9.7424      1.00000
    192      -9.7361      1.00000
    193      -9.7222      1.00000
    194      -9.7194      1.00000
    195      -9.7106      1.00000
    196      -9.7007      1.00000
    197      -9.6968      1.00000
    198      -9.6919      1.00000
    199      -9.6844      1.00000
    200      -9.6756      1.00000
    201      -9.6704      1.00000
    202      -9.6628      1.00000
    203      -9.6596      1.00000
    204      -9.6574      1.00000
    205      -9.6402      1.00000
    206      -9.5752      1.00000
    207      -9.5725      1.00000
    208      -9.5681      1.00000
    209      -9.5123      1.00000
    210      -9.5053      1.00000
    211      -9.5004      1.00000
    212      -9.4333      1.00000
    213      -9.3396      1.00000
    214      -9.3283      1.00000
    215      -9.3229      1.00000
    216      -9.1841      1.00000
    217      -9.1686      1.00000
    218      -9.1130      1.00000
    219      -9.0999      1.00000
    220      -9.0914      1.00000
    221      -9.0669      1.00000
    222      -9.0475      1.00000
    223      -9.0207      1.00000
    224      -8.9970      1.00000
    225      -8.9734      1.00000
    226      -8.9677      1.00000
    227      -8.9623      1.00000
    228      -8.9278      1.00000
    229      -8.9036      1.00000
    230      -8.8973      1.00000
    231      -8.8859      1.00000
    232      -8.8631      1.00000
    233      -8.8615      1.00000
    234      -8.8504      1.00000
    235      -8.8420      1.00000
    236      -8.5943      1.00000
    237      -8.5732      1.00000
    238      -8.5668      1.00000
    239      -7.5331      1.00000
    240      -7.4132      1.00000
    241      -7.4069      1.00000
    242      -7.4015      1.00000
    243      -7.3976      1.00000
    244      -7.3943      1.00000
    245      -7.3566      1.00000
    246      -7.3326      1.00000
    247      -7.3299      1.00000
    248      -7.3229      1.00000
    249      -7.3111      1.00000
    250      -7.2717      1.00000
    251      -7.2638      1.00000
    252      -7.2553      1.00000
    253      -7.2383      1.00000
    254      -7.2356      1.00000
    255      -7.2294      1.00000
    256      -7.2224      1.00000
    257      -7.2176      1.00000
    258      -7.2144      1.00000
    259      -7.2087      1.00000
    260      -7.2002      1.00000
    261      -7.1821      1.00000
    262      -7.1811      1.00000
    263      -7.1736      1.00000
    264      -7.0921      1.00000
    265      -7.0754      1.00000
    266      -7.0066      1.00000
    267      -6.8440      1.00000
    268      -6.6871      1.00000
    269      -6.6749      1.00000
    270      -6.6677      1.00000
    271      -6.6666      1.00000
    272      -6.6592      1.00000
    273      -6.6074      1.00000
    274      -6.5832      1.00000
    275      -6.5390      1.00000
    276      -6.5156      1.00000
    277      -6.5079      1.00000
    278      -6.4484      1.00000
    279      -6.4416      1.00000
    280      -6.3707      1.00000
    281      -6.2776      1.00000
    282      -6.2506      1.00000
    283      -6.2275      1.00000
    284      -6.1275      1.00000
    285      -5.9213      1.00000
    286      -5.8645      1.00000
    287      -5.7965      1.00000
    288      -5.7845      1.00000
    289      -5.7760      1.00000
    290      -5.7537      1.00000
    291      -5.7419      1.00000
    292      -5.7371      1.00000
    293      -5.7312      1.00000
    294      -5.7267      1.00000
    295      -5.7112      1.00000
    296      -5.6916      1.00000
    297      -5.6853      1.00000
    298      -5.6819      1.00000
    299      -5.6753      1.00000
    300      -5.6524      1.00000
    301      -5.6477      1.00000
    302      -5.6354      1.00000
    303      -5.6295      1.00000
    304      -5.6055      1.00000
    305      -5.5966      1.00000
    306      -5.5811      1.00000
    307      -5.5801      1.00000
    308      -5.5696      1.00000
    309      -5.5657      1.00000
    310      -5.5580      1.00000
    311      -5.5562      1.00000
    312      -5.5548      1.00000
    313      -5.5495      1.00000
    314      -5.5440      1.00000
    315      -5.5435      1.00000
    316      -5.5370      1.00000
    317      -5.5076      1.00000
    318      -5.4242      1.00000
    319      -5.1632      1.00000
    320      -5.1565      1.00000
    321      -5.1386      1.00000
    322      -5.0961      1.00000
    323      -5.0888      1.00000
    324      -5.0852      1.00000
    325      -5.0739      1.00000
    326      -5.0678      1.00000
    327      -5.0667      1.00000
    328      -5.0560      1.00000
    329      -5.0553      1.00000
    330      -5.0530      1.00000
    331      -5.0496      1.00000
    332      -5.0461      1.00000
    333      -5.0393      1.00000
    334      -5.0376      1.00000
    335      -5.0311      1.00000
    336      -5.0217      1.00000
    337      -5.0045      1.00000
    338      -5.0028      1.00000
    339      -4.9978      1.00000
    340      -4.9902      1.00000
    341      -4.9092      1.00000
    342      -4.9068      1.00000
    343      -4.8994      1.00000
    344      -4.8478      1.00000
    345      -4.8403      1.00000
    346      -4.8306      1.00000
    347      -4.8201      1.00000
    348      -4.8171      1.00000
    349      -4.8023      1.00000
    350      -4.7965      1.00000
    351      -4.7912      1.00000
    352      -4.7060      1.00000
    353      -3.9437      1.00000
    354      -3.9318      1.00000
    355      -3.9271      1.00000
    356      -3.9226      1.00000
    357      -3.9189      1.00000
    358      -3.7512      1.00000
    359      -3.7496      1.00000
    360      -3.7388      1.00000
    361      -3.7382      1.00000
    362      -3.7355      1.00000
    363      -3.7332      1.00000
    364      -3.7298      1.00000
    365      -3.7295      1.00000
    366      -3.7259      1.00000
    367      -3.7240      1.00000
    368      -3.2441      1.00000
    369      -3.0810      1.00000
    370      -2.8540      1.00000
    371      -2.8161      1.00000
    372      -2.8131      1.00000
    373      -2.7915      1.00000
    374      -2.7873      1.00000
    375      -2.3581      1.00000
    376      -1.7758      0.00000
    377      -1.0020      0.00000
    378      -0.9971      0.00000
    379      -0.9592      0.00000
    380      -0.9576      0.00000
    381      -0.9488      0.00000
    382      -0.8523      0.00000
    383      -0.8023      0.00000
    384      -0.7962      0.00000
    385      -0.7853      0.00000
    386      -0.7756      0.00000
    387      -0.7553      0.00000
    388      -0.7546      0.00000
    389      -0.7509      0.00000
    390      -0.6753      0.00000
    391      -0.6228      0.00000
    392      -0.6174      0.00000
    393      -0.6137      0.00000
    394      -0.4976      0.00000
    395      -0.3013      0.00000
    396      -0.2922      0.00000
    397      -0.2405      0.00000
    398      -0.1692      0.00000
    399      -0.0968      0.00000
    400      -0.0882      0.00000
    401      -0.0849      0.00000
    402      -0.0817      0.00000
    403      -0.0775      0.00000
    404      -0.0752      0.00000
    405      -0.0743      0.00000
    406      -0.0715      0.00000
    407      -0.0674      0.00000
    408      -0.0641      0.00000
    409       0.0534      0.00000
    410       0.0919      0.00000
    411       0.1102      0.00000
    412       0.1785      0.00000
    413       0.2423      0.00000
    414       0.2526      0.00000
    415       0.2578      0.00000
    416       0.2943      0.00000
    417       0.3076      0.00000
    418       0.3216      0.00000
    419       0.3424      0.00000
    420       0.3451      0.00000
    421       0.3687      0.00000
    422       0.5239      0.00000
    423       0.5362      0.00000
    424       0.5423      0.00000
    425       0.5469      0.00000
    426       0.5518      0.00000
    427       0.6099      0.00000
    428       0.6137      0.00000
    429       0.6247      0.00000
    430       0.8604      0.00000
    431       1.0799      0.00000
    432       1.0901      0.00000
    433       1.0960      0.00000
    434       1.1034      0.00000
    435       1.1278      0.00000
    436       1.2608      0.00000
    437       1.6711      0.00000
    438       1.7237      0.00000
    439       1.8994      0.00000
    440       1.9476      0.00000
    441       1.9675      0.00000
    442       2.0251      0.00000
    443       2.0577      0.00000
    444       2.0615      0.00000
    445       2.1102      0.00000
    446       2.1248      0.00000
    447       2.2049      0.00000
    448       2.2215      0.00000
    449       2.2263      0.00000
    450       2.2556      0.00000
    451       2.2820      0.00000
    452       2.5314      0.00000
    453       2.5567      0.00000
    454       2.5595      0.00000
    455       2.5839      0.00000
    456       2.5913      0.00000
    457       2.6056      0.00000
    458       2.6095      0.00000
    459       2.6394      0.00000
    460       2.6512      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
-42.037   0.008  -0.005  11.628  -0.003   0.002  -0.004   0.002
  0.008 -42.025   0.004  -0.003  11.622  -0.002   0.000  -0.001
 -0.005   0.004 -41.907   0.002  -0.002  11.556  -0.001   0.000
 11.628  -0.003   0.002   3.810   0.001  -0.000   0.008  -0.000
 -0.003  11.622  -0.002   0.001   3.812   0.000   0.000  -0.000
  0.002  -0.002  11.556  -0.000   0.000   3.844  -0.001   0.000
 -0.004   0.000  -0.001   0.008   0.000  -0.001  -7.890   0.002
  0.002  -0.001   0.000  -0.000  -0.000   0.000   0.002  -7.957
  0.000  -0.000   0.004   0.000   0.000  -0.003   0.007  -0.061
  0.000  -0.004   0.001   0.000   0.008   0.000   0.007  -0.002
  0.000  -0.000  -0.006   0.000   0.000   0.005  -0.007  -0.038
 -0.004   0.000  -0.001   0.008   0.000  -0.001  -8.347   0.002
  0.002  -0.001   0.000  -0.000  -0.000   0.000   0.002  -8.412
  0.000  -0.000   0.003   0.000   0.000  -0.003   0.007  -0.061
  0.000  -0.004   0.001   0.000   0.008   0.000   0.007  -0.002
  0.000  -0.000  -0.006   0.000   0.000   0.005  -0.007  -0.038
  0.000  -0.000   0.002   0.001  -0.001  -0.006   0.001  -0.002
  0.001  -0.001   0.004   0.002  -0.001  -0.013   0.003  -0.003
 pseudopotential strength for first ion, spin component:           2
-40.251   0.011   0.003  10.664  -0.005  -0.001   0.013   0.003
  0.011 -40.239  -0.000  -0.005  10.658   0.000   0.001  -0.003
  0.003  -0.000 -39.862  -0.001   0.000  10.457  -0.007   0.001
 10.664  -0.005  -0.001   4.204   0.002   0.001  -0.003  -0.001
 -0.005  10.658   0.000   0.002   4.207  -0.000  -0.000   0.001
 -0.001   0.000  10.457   0.001  -0.000   4.274   0.003  -0.000
  0.013   0.001  -0.007  -0.003  -0.000   0.003  -5.922   0.001
  0.003  -0.003   0.001  -0.001   0.001  -0.000   0.001  -6.107
  0.002  -0.000   0.013  -0.001   0.000  -0.006  -0.003   0.118
  0.001   0.014   0.005  -0.000  -0.003  -0.002   0.003   0.000
 -0.000   0.001  -0.021   0.000  -0.000   0.010   0.005   0.056
  0.013   0.001  -0.007  -0.003  -0.000   0.003  -6.378   0.001
  0.003  -0.003   0.001  -0.001   0.001  -0.000   0.001  -6.563
  0.002  -0.000   0.013  -0.001  -0.000  -0.006  -0.003   0.118
  0.001   0.014   0.005  -0.000  -0.004  -0.002   0.003   0.000
 -0.000   0.001  -0.021   0.000  -0.000   0.010   0.005   0.056
  0.002  -0.001  -0.002   0.000  -0.000  -0.004  -0.001  -0.003
  0.004  -0.003  -0.003   0.001  -0.001  -0.010  -0.001  -0.005
 total augmentation occupancy for first ion, spin component:           1
  1.991   0.000   0.000  -0.042   0.000   0.000  -0.003   0.001   0.001   0.001  -0.001  -0.000  -0.001  -0.001  -0.001   0.001
  0.000   1.991  -0.000   0.000  -0.042  -0.000   0.001  -0.001  -0.001  -0.002   0.000  -0.001   0.001   0.001  -0.001  -0.000
  0.000  -0.000   1.993   0.000  -0.000  -0.022  -0.003   0.001   0.004   0.002  -0.007   0.004  -0.001  -0.003  -0.003   0.005
 -0.042   0.000   0.000   0.175  -0.001   0.000  -0.124   0.007  -0.003  -0.000  -0.013   0.133  -0.009   0.005  -0.000   0.018
  0.000  -0.042  -0.000  -0.001   0.174  -0.000  -0.000   0.003  -0.015  -0.132  -0.002  -0.000  -0.005   0.022   0.140   0.003
  0.000  -0.000  -0.022   0.000  -0.000   0.037   0.011  -0.003  -0.019  -0.007   0.028  -0.011   0.004  -0.014   0.007   0.032
 -0.003   0.001  -0.003  -0.124  -0.000   0.011   3.481  -0.002  -0.007  -0.007  -0.041  -1.921   0.003  -0.001   0.012   0.035
  0.001  -0.001   0.001   0.007   0.003  -0.003  -0.002   4.315  -0.505   0.026  -0.262   0.003  -3.220   1.198  -0.017   0.633
  0.001  -0.001   0.004  -0.003  -0.015  -0.019  -0.007  -0.505   5.054  -0.042   1.141  -0.003   1.197  -5.572   0.031  -1.716
  0.001  -0.002   0.002  -0.000  -0.132  -0.007  -0.007   0.026  -0.042   3.494   0.010   0.012  -0.018   0.033  -1.928  -0.010
 -0.001   0.000  -0.007  -0.013  -0.002   0.028  -0.041  -0.262   1.141   0.010   3.761   0.035   0.635  -1.716  -0.011  -3.638
 -0.000  -0.001   0.004   0.133  -0.000  -0.011  -1.921   0.003  -0.003   0.012   0.035   1.478  -0.004   0.015  -0.009  -0.044
 -0.001   0.001  -0.001  -0.009  -0.005   0.004   0.003  -3.220   1.197  -0.018   0.635  -0.004   3.097  -1.715   0.013  -0.908
 -0.001   0.001  -0.003   0.005   0.022  -0.014  -0.001   1.198  -5.572   0.033  -1.716   0.015  -1.715   6.677  -0.030   2.091
 -0.001  -0.001  -0.003  -0.000   0.140   0.007   0.012  -0.017   0.031  -1.928  -0.011  -0.009   0.013  -0.030   1.490   0.020
  0.001  -0.000   0.005   0.018   0.003   0.032   0.035   0.633  -1.716  -0.010  -3.638  -0.044  -0.908   2.091   0.020   4.329
 -0.010   0.007   0.035  -0.005   0.003   0.124  -0.100   0.094  -0.727   0.078   1.310   0.004  -0.050   0.598  -0.010  -1.046
  0.005  -0.004  -0.019  -0.001   0.000  -0.009   0.048  -0.038  -0.016  -0.035   0.009  -0.008   0.014   0.020   0.006  -0.037
 total augmentation occupancy for first ion, spin component:           2
 -0.002  -0.000   0.000  -0.005  -0.000   0.000   0.006   0.001   0.001   0.000  -0.001  -0.005  -0.001  -0.001  -0.000   0.001
 -0.000  -0.002  -0.000  -0.000  -0.005  -0.000   0.000  -0.001  -0.000   0.007   0.001  -0.000   0.001   0.000  -0.006  -0.001
  0.000  -0.000  -0.000   0.000  -0.000  -0.002  -0.003   0.000   0.005   0.002  -0.008   0.003  -0.000  -0.004  -0.002   0.007
 -0.005  -0.000   0.000   0.014  -0.000   0.000  -0.043  -0.001   0.003  -0.000   0.001   0.018   0.000  -0.003  -0.000  -0.000
 -0.000  -0.005  -0.000  -0.000   0.014  -0.000  -0.000  -0.002   0.004  -0.046   0.002  -0.000   0.002  -0.003   0.018  -0.002
  0.000  -0.000  -0.002   0.000  -0.000   0.001   0.001  -0.001  -0.036  -0.001   0.063   0.009  -0.001   0.020  -0.005  -0.036
  0.006   0.000  -0.003  -0.043  -0.000   0.001   2.758  -0.000  -0.015   0.004  -0.024  -1.033   0.001   0.022   0.003  -0.004
  0.001  -0.001   0.000  -0.001  -0.002  -0.001  -0.000   2.457   1.045   0.022   0.558   0.001  -0.949  -0.596  -0.014  -0.316
  0.001  -0.000   0.005   0.003   0.004  -0.036  -0.015   1.045  -0.188  -0.029  -0.491   0.018  -0.598   0.609   0.013   0.191
  0.000   0.007   0.002  -0.000  -0.046  -0.001   0.004   0.022  -0.029   2.776   0.002   0.003  -0.015   0.013  -1.040   0.011
 -0.001   0.001  -0.008   0.001   0.002   0.063  -0.024   0.558  -0.491   0.002   0.345  -0.000  -0.313   0.191   0.006   0.411
 -0.005  -0.000   0.003   0.018  -0.000   0.009  -1.033   0.001   0.018   0.003  -0.000   0.369  -0.004  -0.036  -0.013   0.038
 -0.001   0.001  -0.000   0.000   0.002  -0.001   0.001  -0.949  -0.598  -0.015  -0.313  -0.004   0.287   0.382   0.012   0.195
 -0.001   0.000  -0.004  -0.003  -0.003   0.020   0.022  -0.596   0.609   0.013   0.191  -0.036   0.382  -0.704   0.005  -0.118
 -0.000  -0.006  -0.002  -0.000   0.018  -0.005   0.003  -0.014   0.013  -1.040   0.006  -0.013   0.012   0.005   0.359  -0.028
  0.001  -0.001   0.007  -0.000  -0.002  -0.036  -0.004  -0.316   0.191   0.011   0.411   0.038   0.195  -0.118  -0.028  -0.588
  0.002  -0.001   0.001   0.001  -0.001  -0.000  -0.147   0.077  -0.241   0.103   0.472   0.101  -0.039   0.142  -0.068  -0.269
 -0.001   0.000  -0.001  -0.000   0.000   0.009   0.059  -0.042   0.009  -0.041  -0.044  -0.031   0.021  -0.039   0.021   0.078


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.291   6.256   4.152  10.699
  2        0.322   6.337   4.100  10.759
  3        0.350   6.312   4.438  11.100
  4        0.350   6.312   4.438  11.099
  5        0.350   6.311   4.437  11.099
  6        0.350   6.312   4.437  11.099
  7        0.350   6.311   4.437  11.098
  8        0.350   6.312   4.437  11.099
  9        0.350   6.311   4.437  11.098
 10        0.350   6.311   4.436  11.097
 11        0.350   6.311   4.436  11.097
 12        0.350   6.311   4.436  11.096
 13        0.636   0.048   0.000   0.685
 14        0.636   0.048   0.000   0.685
 15        0.635   0.049   0.000   0.684
 16        0.636   0.048   0.000   0.685
 17        0.636   0.048   0.000   0.684
 18        0.636   0.048   0.000   0.685
 19        0.636   0.048   0.000   0.685
 20        0.636   0.048   0.000   0.684
 21        0.636   0.048   0.000   0.685
 22        0.636   0.048   0.000   0.685
 23        0.636   0.048   0.000   0.685
 24        0.636   0.048   0.000   0.684
 25        0.636   0.048   0.000   0.684
 26        0.636   0.048   0.000   0.685
 27        0.636   0.048   0.000   0.684
 28        0.636   0.048   0.000   0.685
 29        0.636   0.048   0.000   0.684
 30        0.636   0.048   0.000   0.685
 31        0.635   0.049   0.000   0.684
 32        0.636   0.048   0.000   0.685
 33        0.636   0.048   0.000   0.684
 34        0.636   0.048   0.000   0.685
 35        0.636   0.048   0.000   0.685
 36        0.636   0.048   0.000   0.684
 37        0.619   0.119   0.000   0.737
 38        0.861   1.698   0.000   2.560
 39        0.862   1.700   0.000   2.562
 40        0.861   1.698   0.000   2.560
 41        0.863   1.699   0.000   2.562
 42        0.864   1.701   0.000   2.565
 43        0.864   1.701   0.000   2.565
 44        0.864   1.701   0.000   2.565
 45        0.864   1.701   0.000   2.565
 46        0.864   1.700   0.000   2.565
 47        0.864   1.701   0.000   2.565
 48        0.864   1.700   0.000   2.565
 49        0.864   1.700   0.000   2.564
 50        0.864   1.700   0.000   2.564
 51        0.864   1.701   0.000   2.565
 52        0.864   1.700   0.000   2.565
 53        0.864   1.701   0.000   2.565
 54        0.864   1.701   0.000   2.565
 55        0.864   1.700   0.000   2.564
 56        0.864   1.700   0.000   2.565
 57        0.864   1.700   0.000   2.564
 58        0.864   1.701   0.000   2.565
 59        0.864   1.700   0.000   2.564
 60        0.864   1.700   0.000   2.564
 61        0.864   1.701   0.000   2.565
 62        0.865   1.785   0.000   2.651
 63        0.865   1.782   0.000   2.648
 64        0.865   1.785   0.000   2.650
 65        0.865   1.782   0.000   2.648
 66        0.865   1.787   0.000   2.652
 67        0.865   1.787   0.000   2.652
 68        0.865   1.787   0.000   2.652
 69        0.865   1.787   0.000   2.652
 70        0.865   1.787   0.000   2.652
 71        0.865   1.787   0.000   2.652
 72        0.865   1.786   0.000   2.651
 73        0.865   1.786   0.000   2.651
 74        0.865   1.786   0.000   2.651
 75        0.865   1.787   0.000   2.652
 76        0.865   1.787   0.000   2.652
 77        0.865   1.787   0.000   2.652
 78        0.865   1.786   0.000   2.651
 79        0.865   1.786   0.000   2.651
 80        0.865   1.786   0.000   2.651
 81        0.865   1.786   0.000   2.650
 82        0.865   1.786   0.000   2.651
 83        0.865   1.786   0.000   2.651
 84        0.865   1.786   0.000   2.651
 85        0.865   1.787   0.000   2.652
 86        0.874   1.760   0.000   2.635
 87        0.874   1.760   0.000   2.634
 88        0.875   1.759   0.000   2.634
 89        0.874   1.759   0.000   2.634
 90        0.874   1.760   0.000   2.634
 91        0.874   1.760   0.000   2.634
 92        0.874   1.760   0.000   2.634
 93        0.874   1.760   0.000   2.634
 94        0.874   1.760   0.000   2.634
 95        0.874   1.760   0.000   2.635
 96        0.874   1.760   0.000   2.634
 97        0.875   1.759   0.000   2.634
 98        0.874   1.759   0.000   2.634
 99        0.874   1.760   0.000   2.635
100        0.874   1.760   0.000   2.634
101        0.874   1.760   0.000   2.634
102        0.874   1.759   0.000   2.634
103        0.875   1.760   0.000   2.635
104        0.875   1.759   0.000   2.634
105        0.874   1.759   0.000   2.634
106        0.874   1.759   0.000   2.634
107        0.875   1.760   0.000   2.635
108        0.874   1.760   0.000   2.635
109        0.874   1.760   0.000   2.634
110        1.572   3.570   0.000   5.142
111        1.575   3.560   0.000   5.135
112        1.572   3.572   0.000   5.143
113        1.573   3.568   0.000   5.141
114        1.574   3.560   0.000   5.134
115        1.574   3.560   0.000   5.134
116        1.574   3.560   0.000   5.134
117        1.574   3.560   0.000   5.134
118        1.574   3.560   0.000   5.134
119        1.574   3.560   0.000   5.134
120        1.574   3.560   0.000   5.134
121        1.574   3.560   0.000   5.134
122        1.574   3.560   0.000   5.134
123        1.574   3.560   0.000   5.134
124        1.574   3.560   0.000   5.134
125        1.574   3.560   0.000   5.134
126        1.574   3.560   0.000   5.134
127        1.574   3.560   0.000   5.134
128        1.574   3.560   0.000   5.134
129        1.574   3.559   0.000   5.134
130        1.574   3.560   0.000   5.134
131        1.574   3.560   0.000   5.134
132        1.574   3.560   0.000   5.134
133        1.574   3.560   0.000   5.135
134        1.572   3.570   0.000   5.142
135        1.576   3.559   0.000   5.134
136        1.572   3.572   0.000   5.144
137        1.573   3.570   0.000   5.143
138        1.574   3.560   0.000   5.134
139        1.574   3.560   0.000   5.134
140        1.574   3.560   0.000   5.134
141        1.574   3.560   0.000   5.134
142        1.574   3.560   0.000   5.134
143        1.574   3.560   0.000   5.134
144        1.574   3.560   0.000   5.134
145        1.574   3.560   0.000   5.134
146        1.574   3.560   0.000   5.134
147        1.574   3.560   0.000   5.134
148        1.574   3.560   0.000   5.135
149        1.574   3.560   0.000   5.134
150        1.574   3.560   0.000   5.134
151        1.574   3.560   0.000   5.134
152        1.574   3.560   0.000   5.134
153        1.574   3.560   0.000   5.134
154        1.574   3.560   0.000   5.134
155        1.574   3.560   0.000   5.134
156        1.574   3.560   0.000   5.134
157        1.574   3.560   0.000   5.135
158        1.572   3.503   0.000   5.075
------------------------------------------------
tot      159.598 377.338  52.620 589.556
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.061   0.020   3.118   3.199
  2       -0.027  -0.001  -2.365  -2.392
  3        0.018  -0.001   1.428   1.444
  4       -0.018   0.001  -1.428  -1.445
  5       -0.018   0.001  -1.430  -1.447
  6        0.018  -0.001   1.430   1.447
  7       -0.018   0.001  -1.431  -1.447
  8        0.018  -0.001   1.430   1.447
  9        0.018  -0.001   1.434   1.450
 10       -0.018   0.001  -1.434  -1.451
 11       -0.018   0.001  -1.435  -1.452
 12        0.018  -0.001   1.435   1.451
 13       -0.000   0.000   0.000   0.000
 14       -0.000  -0.000   0.000  -0.000
 15       -0.000   0.000   0.000  -0.000
 16        0.000  -0.000   0.000   0.000
 17       -0.000   0.000   0.000  -0.000
 18        0.000  -0.000   0.000   0.000
 19        0.000  -0.000   0.000   0.000
 20       -0.000   0.000   0.000  -0.000
 21       -0.000   0.000   0.000  -0.000
 22        0.000  -0.000   0.000   0.000
 23       -0.000   0.000   0.000   0.000
 24       -0.000  -0.000   0.000  -0.000
 25       -0.000   0.000   0.000  -0.000
 26       -0.000   0.000   0.000  -0.000
 27        0.000  -0.000   0.000   0.000
 28       -0.000   0.000   0.000  -0.000
 29       -0.000   0.000   0.000  -0.000
 30       -0.000   0.000   0.000  -0.000
 31       -0.000   0.000   0.000  -0.000
 32       -0.000   0.000   0.000   0.000
 33        0.000  -0.000   0.000   0.000
 34       -0.000   0.000   0.000  -0.000
 35       -0.000   0.000   0.000  -0.000
 36        0.000  -0.000   0.000   0.000
 37       -0.010   0.000   0.000  -0.010
 38        0.002   0.006   0.000   0.008
 39        0.001   0.007   0.000   0.008
 40        0.002   0.006   0.000   0.007
 41        0.001   0.007   0.000   0.008
 42        0.000  -0.000   0.000  -0.000
 43       -0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46       -0.000   0.000   0.000  -0.000
 47       -0.000  -0.000   0.000  -0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50       -0.000  -0.000   0.000  -0.000
 51       -0.000  -0.000   0.000  -0.000
 52        0.000   0.000   0.000   0.000
 53       -0.000  -0.000   0.000  -0.000
 54        0.000   0.000   0.000   0.000
 55        0.000   0.000   0.000   0.000
 56       -0.000  -0.000   0.000  -0.000
 57        0.000   0.000   0.000   0.000
 58        0.000   0.000   0.000   0.000
 59        0.000   0.000   0.000   0.000
 60        0.000   0.000   0.000   0.000
 61        0.000   0.000   0.000   0.000
 62       -0.000  -0.001   0.000  -0.001
 63       -0.000  -0.001   0.000  -0.001
 64       -0.000  -0.001   0.000  -0.001
 65       -0.000  -0.001   0.000  -0.001
 66        0.000   0.000   0.000   0.000
 67       -0.000  -0.000   0.000  -0.000
 68       -0.000  -0.000   0.000  -0.000
 69       -0.000  -0.000   0.000  -0.000
 70       -0.000  -0.000   0.000  -0.000
 71        0.000   0.000   0.000   0.000
 72        0.000  -0.000   0.000  -0.000
 73       -0.000  -0.000   0.000  -0.001
 74        0.000   0.000   0.000   0.000
 75       -0.000  -0.000   0.000  -0.000
 76       -0.000   0.000   0.000   0.000
 77        0.000   0.000   0.000   0.000
 78       -0.000  -0.000   0.000  -0.000
 79       -0.000  -0.000   0.000  -0.000
 80       -0.000  -0.000   0.000  -0.000
 81       -0.000  -0.000   0.000  -0.000
 82       -0.000  -0.000   0.000  -0.000
 83       -0.000  -0.000   0.000  -0.000
 84       -0.000  -0.000   0.000  -0.000
 85        0.000   0.000   0.000   0.000
 86        0.000   0.001   0.000   0.001
 87       -0.000   0.001   0.000   0.001
 88        0.000   0.002   0.000   0.002
 89        0.000   0.000   0.000   0.000
 90        0.000   0.000   0.000   0.000
 91       -0.000  -0.000   0.000  -0.000
 92       -0.000  -0.001   0.000  -0.001
 93        0.000   0.001   0.000   0.001
 94        0.000   0.001   0.000   0.001
 95       -0.000  -0.001   0.000  -0.001
 96        0.000   0.001   0.000   0.001
 97       -0.000   0.001   0.000   0.001
 98        0.000   0.000   0.000   0.000
 99        0.000   0.000   0.000   0.000
100       -0.000  -0.001   0.000  -0.001
101        0.000   0.001   0.000   0.001
102        0.000   0.001   0.000   0.001
103        0.000   0.001   0.000   0.001
104       -0.000   0.001   0.000   0.000
105        0.000   0.001   0.000   0.001
106       -0.000  -0.000   0.000  -0.000
107        0.000   0.002   0.000   0.002
108        0.000   0.001   0.000   0.001
109       -0.000  -0.001   0.000  -0.001
110       -0.001  -0.027   0.000  -0.028
111        0.001   0.019   0.000   0.020
112       -0.001  -0.024   0.000  -0.025
113        0.001   0.020   0.000   0.022
114       -0.000  -0.016   0.000  -0.017
115        0.000   0.016   0.000   0.017
116       -0.000  -0.016   0.000  -0.016
117        0.000   0.016   0.000   0.016
118        0.000   0.016   0.000   0.017
119       -0.000  -0.016   0.000  -0.017
120        0.000   0.016   0.000   0.017
121       -0.000  -0.016   0.000  -0.017
122        0.000   0.016   0.000   0.017
123       -0.000  -0.016   0.000  -0.017
124        0.000   0.016   0.000   0.016
125       -0.000  -0.016   0.000  -0.016
126        0.000   0.016   0.000   0.017
127       -0.000  -0.016   0.000  -0.017
128        0.000   0.016   0.000   0.017
129       -0.000  -0.017   0.000  -0.017
130        0.000   0.016   0.000   0.016
131       -0.000  -0.016   0.000  -0.017
132        0.000   0.016   0.000   0.017
133       -0.000  -0.016   0.000  -0.017
134       -0.001  -0.026   0.000  -0.027
135        0.001   0.016   0.000   0.017
136       -0.001  -0.024   0.000  -0.025
137        0.001   0.021   0.000   0.022
138        0.000   0.016   0.000   0.017
139       -0.000  -0.016   0.000  -0.017
140        0.000   0.016   0.000   0.016
141       -0.000  -0.016   0.000  -0.016
142        0.000   0.016   0.000   0.016
143       -0.000  -0.016   0.000  -0.016
144        0.000   0.016   0.000   0.017
145       -0.000  -0.016   0.000  -0.017
146       -0.000  -0.016   0.000  -0.017
147        0.000   0.016   0.000   0.017
148        0.000   0.016   0.000   0.017
149       -0.000  -0.016   0.000  -0.017
150        0.000   0.016   0.000   0.017
151       -0.000  -0.016   0.000  -0.017
152       -0.000  -0.016   0.000  -0.017
153        0.000   0.016   0.000   0.017
154       -0.000  -0.016   0.000  -0.017
155        0.000   0.016   0.000   0.017
156       -0.000  -0.016   0.000  -0.017
157        0.000   0.016   0.000   0.017
158       -0.003   0.031   0.000   0.028
------------------------------------------------
tot        0.027   0.055   0.752   0.834
 
    FORLOC:  cpu time    0.1577: real time    0.1577
    FORNL :  cpu time    6.3973: real time    6.4007
    STRESS:  cpu time    7.6866: real time    7.7107
    FORCOR:  cpu time    0.7931: real time    0.7935
    OFIELD:  cpu time    0.0020: real time    0.0022

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

         DFTD3 V3.0 Rev 1        
 IVDW         = 12
 DF pbe       
 parameters
 VDW_S6       =    1.0000
 VDW_S8       =    0.7875
 VDW_A1       =    0.4289
 VDW_A2       =    4.4407
 k1-k3        =   16.0000    1.3333   -4.0000
 VDW_RADIUS   =   50.2022 A
 VDW_CNRADIUS =   21.1671 A
 Edisp (eV)  -10.06829

 E6    (eV) :    -6.8393
 E8    (eV) :    -3.2290
 % E8        : 32.07
    FORVDW:  cpu time    1.3535: real time    1.6009

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   589.21431   589.21431   589.21431
  Ewald   12211.59662 12117.14015 11693.97752  -182.66264  -516.34092    89.43509
  Hartree 27211.85867 27202.54172 26843.06261  -132.16995  -482.19336    63.36627
  E(xc)   -3420.84375 -3421.21161 -3421.46181    -0.11642    -0.12421     0.06142
  Local  -48985.21077-48879.55936-48115.11792   308.41958   988.65062  -149.43311
  n-local -1909.56404 -1914.82848 -1915.41531    -1.51440    -0.53599     0.93344
  augment  1381.30856  1380.93658  1383.50381     1.68770     1.59750    -1.08254
  Kinetic 12924.19638 12928.71887 12945.24514     6.13220     9.00365    -3.19364
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -4.75867    -4.82100    -4.80297    -0.00140     0.02208     0.00147
  -------------------------------------------------------------------------------------
  Total      -2.20270    -1.86881    -1.79461    -0.22534     0.07937     0.08839
  in kB      -0.74438    -0.63154    -0.60647    -0.07615     0.02682     0.02987
  external pressure =       -0.66 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :     4741.03
      direct lattice vectors                 reciprocal lattice vectors
    18.855500000  0.000000000  0.000000000     0.053034923  0.030618493  0.043292866
    -9.427914984 16.330285975  0.000000000     0.000000000  0.061235915  0.021637831
    -9.427814987 -5.440614059 15.397152388     0.000000000  0.000000000  0.064947074

  length of vectors
    18.855500000 18.856400000 18.856200000     0.074996450  0.064946385  0.064947074


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.944E+03 -.272E+01 0.166E+01   -.940E+03 0.207E+01 -.124E+01   -.399E+01 0.658E+00 -.422E+00
   -.640E+03 -.574E+02 0.302E+02   0.645E+03 0.546E+02 -.286E+02   -.423E+01 0.278E+01 -.159E+01
   -.412E+01 0.582E+03 0.823E+03   0.410E+01 -.585E+03 -.827E+03   0.137E-01 0.269E+01 0.380E+01
   -.412E+01 -.582E+03 -.823E+03   0.411E+01 0.585E+03 0.827E+03   0.143E-01 -.268E+01 -.380E+01
   0.507E+03 0.881E+03 0.558E+00   -.509E+03 -.885E+03 -.565E+00   0.235E+01 0.401E+01 0.864E-02
   -.509E+03 -.857E+03 0.771E+00   0.512E+03 0.861E+03 -.786E+00   -.233E+01 -.403E+01 0.168E-01
   0.506E+03 0.293E+03 -.831E+03   -.509E+03 -.294E+03 0.835E+03   0.236E+01 0.133E+01 -.377E+01
   -.510E+03 -.286E+03 0.808E+03   0.512E+03 0.288E+03 -.812E+03   -.231E+01 -.136E+01 0.381E+01
   0.506E+03 -.294E+03 0.827E+03   -.509E+03 0.296E+03 -.831E+03   0.235E+01 -.132E+01 0.378E+01
   -.510E+03 0.285E+03 -.813E+03   0.512E+03 -.286E+03 0.817E+03   -.233E+01 0.134E+01 -.377E+01
   0.507E+03 -.877E+03 0.155E+01   -.509E+03 0.881E+03 -.154E+01   0.235E+01 -.399E+01 -.171E-01
   -.510E+03 0.861E+03 0.228E+01   0.512E+03 -.865E+03 -.229E+01   -.233E+01 0.400E+01 0.320E-03
   0.755E+02 0.424E+02 -.194E+02   -.807E+02 -.454E+02 0.193E+02   0.521E+01 0.298E+01 0.116E+00
   -.727E+02 -.368E+02 0.210E+02   0.779E+02 0.398E+02 -.209E+02   -.520E+01 -.299E+01 -.580E-01
   -.734E+02 0.308E+02 -.294E+02   0.786E+02 -.316E+02 0.323E+02   -.521E+01 0.863E+00 -.290E+01
   0.760E+02 -.318E+02 0.329E+02   -.812E+02 0.327E+02 -.358E+02   0.518E+01 -.876E+00 0.290E+01
   -.957E+01 -.803E+02 -.338E+02   0.114E+02 0.853E+02 0.367E+02   -.185E+01 -.494E+01 -.287E+01
   0.920E+01 0.812E+02 0.340E+02   -.110E+02 -.861E+02 -.369E+02   0.185E+01 0.494E+01 0.288E+01
   0.922E+01 0.500E+01 0.877E+02   -.111E+02 -.607E+01 -.933E+02   0.185E+01 0.107E+01 0.561E+01
   -.955E+01 -.524E+01 -.871E+02   0.114E+02 0.630E+01 0.928E+02   -.185E+01 -.107E+01 -.562E+01
   0.658E+02 0.483E+02 -.342E+02   -.692E+02 -.524E+02 0.371E+02   0.337E+01 0.406E+01 -.287E+01
   -.659E+02 -.470E+02 0.332E+02   0.693E+02 0.510E+02 -.361E+02   -.336E+01 -.406E+01 0.287E+01
   0.755E+02 0.323E+02 -.335E+02   -.808E+02 -.332E+02 0.363E+02   0.521E+01 0.881E+00 -.286E+01
   -.728E+02 -.321E+02 0.279E+02   0.780E+02 0.331E+02 -.307E+02   -.520E+01 -.948E+00 0.286E+01
   -.659E+02 0.474E+02 -.335E+02   0.693E+02 -.514E+02 0.364E+02   -.336E+01 0.406E+01 -.287E+01
   0.659E+02 -.481E+02 0.340E+02   -.692E+02 0.522E+02 -.369E+02   0.337E+01 -.406E+01 0.287E+01
   -.959E+01 0.513E+01 0.870E+02   0.114E+02 -.620E+01 -.927E+02   -.185E+01 0.107E+01 0.562E+01
   0.915E+01 -.496E+01 -.879E+02   -.110E+02 0.602E+01 0.935E+02   0.185E+01 -.107E+01 -.562E+01
   0.115E+00 -.864E+02 -.193E+02   -.990E-01 0.924E+02 0.192E+02   -.195E-01 -.601E+01 0.119E+00
   0.217E+00 0.865E+02 0.192E+02   -.232E+00 -.925E+02 -.191E+02   0.160E-01 0.601E+01 -.128E+00
   -.735E+02 0.380E+02 -.192E+02   0.787E+02 -.410E+02 0.191E+02   -.520E+01 0.303E+01 0.151E+00
   0.761E+02 -.415E+02 0.189E+02   -.813E+02 0.446E+02 -.187E+02   0.518E+01 -.303E+01 -.146E+00
   0.119E+00 -.105E+02 0.880E+02   -.113E+00 0.126E+02 -.936E+02   -.805E-02 -.211E+01 0.563E+01
   0.216E+00 0.109E+02 -.879E+02   -.230E+00 -.130E+02 0.935E+02   0.153E-01 0.213E+01 -.562E+01
   0.913E+01 -.810E+02 -.339E+02   -.110E+02 0.860E+02 0.368E+02   0.185E+01 -.494E+01 -.288E+01
   -.953E+01 0.805E+02 0.340E+02   0.114E+02 -.854E+02 -.369E+02   -.185E+01 0.494E+01 0.288E+01
   -.111E+03 0.789E+02 -.363E+02   0.113E+03 -.860E+02 0.397E+02   -.216E+01 0.713E+01 -.336E+01
   0.208E+02 -.217E+03 -.100E+03   -.211E+02 0.223E+03 0.101E+03   0.266E+00 -.603E+01 -.610E+00
   0.216E+02 0.217E+03 0.102E+03   -.214E+02 -.222E+03 -.102E+03   -.165E+00 0.560E+01 0.386E+00
   0.204E+02 0.221E+02 0.238E+03   -.206E+02 -.207E+02 -.243E+03   0.196E+00 -.142E+01 0.580E+01
   0.218E+02 -.246E+02 -.238E+03   -.216E+02 0.231E+02 0.244E+03   -.185E+00 0.148E+01 -.537E+01
   0.214E+03 0.103E+03 -.725E+02   -.217E+03 -.106E+03 0.750E+02   0.378E+01 0.355E+01 -.251E+01
   -.215E+03 -.102E+03 0.721E+02   0.219E+03 0.105E+03 -.746E+02   -.376E+01 -.355E+01 0.251E+01
   -.215E+03 0.102E+03 -.722E+02   0.219E+03 -.106E+03 0.747E+02   -.378E+01 0.356E+01 -.252E+01
   0.214E+03 -.103E+03 0.728E+02   -.217E+03 0.106E+03 -.753E+02   0.378E+01 -.356E+01 0.252E+01
   0.192E+02 -.844E+01 0.249E+03   -.180E+02 0.774E+01 -.255E+03   -.120E+01 0.696E+00 0.561E+01
   -.195E+02 0.151E+02 -.249E+03   0.183E+02 -.144E+02 0.255E+03   0.119E+01 -.689E+00 -.561E+01
   -.195E+03 0.135E+03 -.731E+02   0.200E+03 -.136E+03 0.756E+02   -.494E+01 0.147E+01 -.252E+01
   0.197E+03 -.132E+03 0.667E+02   -.202E+03 0.134E+03 -.692E+02   0.498E+01 -.148E+01 0.255E+01
   -.200E+02 -.240E+03 -.704E+02   0.188E+02 0.245E+03 0.729E+02   0.120E+01 -.504E+01 -.252E+01
   0.197E+02 0.238E+03 0.733E+02   -.185E+02 -.243E+03 -.758E+02   -.119E+01 0.505E+01 0.251E+01
   0.192E+02 -.238E+03 -.748E+02   -.180E+02 0.243E+03 0.773E+02   -.119E+01 -.505E+01 -.252E+01
   -.195E+02 0.240E+03 0.690E+02   0.184E+02 -.245E+03 -.715E+02   0.119E+01 0.505E+01 0.252E+01
   -.196E+03 0.113E+03 -.103E+03   0.201E+03 -.116E+03 0.103E+03   -.494E+01 0.286E+01 -.547E+00
   0.197E+03 -.107E+03 0.103E+03   -.202E+03 0.110E+03 -.103E+03   0.497E+01 -.288E+01 0.540E+00
   0.196E+03 0.109E+03 -.101E+03   -.201E+03 -.112E+03 0.102E+03   0.492E+01 0.287E+01 -.537E+00
   -.194E+03 -.115E+03 0.101E+03   0.199E+03 0.118E+03 -.102E+03   -.494E+01 -.289E+01 0.522E+00
   0.197E+03 0.132E+03 -.684E+02   -.202E+03 -.134E+03 0.709E+02   0.493E+01 0.147E+01 -.253E+01
   -.194E+03 -.134E+03 0.742E+02   0.199E+03 0.135E+03 -.767E+02   -.496E+01 -.146E+01 0.255E+01
   -.202E+02 -.136E+02 0.250E+03   0.190E+02 0.129E+02 -.255E+03   0.120E+01 0.703E+00 0.560E+01
   0.199E+02 0.104E+02 -.249E+03   -.187E+02 -.976E+01 0.254E+03   -.119E+01 -.685E+00 -.561E+01
   0.938E+01 -.288E+02 -.963E+02   -.935E+01 0.296E+02 0.965E+02   -.226E-01 -.784E+00 -.188E+00
   0.101E+02 0.297E+02 0.966E+02   -.101E+02 -.303E+02 -.967E+02   -.872E-02 0.562E+00 0.167E+00
   0.946E+01 0.811E+02 0.592E+02   -.944E+01 -.811E+02 -.599E+02   -.215E-01 -.717E-01 0.764E+00
   0.102E+02 -.817E+02 -.602E+02   -.102E+02 0.817E+02 0.607E+02   -.179E-01 0.216E-01 -.559E+00
   0.909E+02 -.304E+02 0.217E+02   -.915E+02 0.300E+02 -.214E+02   0.596E+00 0.413E+00 -.288E+00
   -.918E+02 0.323E+02 -.227E+02   0.924E+02 -.319E+02 0.225E+02   -.587E+00 -.410E+00 0.289E+00
   -.918E+02 -.316E+02 0.225E+02   0.924E+02 0.311E+02 -.222E+02   -.594E+00 0.423E+00 -.296E+00
   0.909E+02 0.307E+02 -.215E+02   -.915E+02 -.303E+02 0.212E+02   0.598E+00 -.416E+00 0.295E+00
   0.728E+02 -.406E+02 0.539E+02   -.728E+02 0.406E+02 -.547E+02   -.655E-01 0.349E-01 0.797E+00
   -.729E+02 0.454E+02 -.552E+02   0.728E+02 -.454E+02 0.560E+02   0.664E-01 -.334E-01 -.794E+00
   -.170E+02 0.942E+02 0.239E+02   0.176E+02 -.945E+02 -.236E+02   -.641E+00 0.299E+00 -.266E+00
   0.221E+02 -.924E+02 -.284E+02   -.228E+02 0.927E+02 0.280E+02   0.664E+00 -.312E+00 0.333E+00
   -.733E+02 -.662E+02 0.231E+02   0.732E+02 0.669E+02 -.228E+02   0.596E-01 -.716E+00 -.302E+00
   0.730E+02 0.648E+02 -.214E+02   -.729E+02 -.656E+02 0.211E+02   -.631E-01 0.730E+00 0.288E+00
   0.728E+02 -.643E+02 0.205E+02   -.727E+02 0.651E+02 -.203E+02   -.635E-01 -.730E+00 -.290E+00
   -.730E+02 0.672E+02 -.244E+02   0.729E+02 -.679E+02 0.241E+02   0.640E-01 0.726E+00 0.289E+00
   -.174E+02 0.867E+01 -.968E+02   0.180E+02 -.901E+01 0.970E+02   -.643E+00 0.342E+00 -.192E+00
   0.222E+02 -.390E+01 0.967E+02   -.229E+02 0.430E+01 -.969E+02   0.662E+00 -.394E+00 0.183E+00
   0.209E+02 0.535E+01 -.960E+02   -.215E+02 -.571E+01 0.962E+02   0.608E+00 0.373E+00 -.191E+00
   -.149E+02 -.917E+01 0.951E+02   0.155E+02 0.955E+01 -.953E+02   -.632E+00 -.386E+00 0.179E+00
   0.213E+02 0.925E+02 0.273E+02   -.219E+02 -.929E+02 -.270E+02   0.617E+00 0.308E+00 -.292E+00
   -.151E+02 -.927E+02 -.231E+02   0.158E+02 0.930E+02 0.228E+02   -.647E+00 -.300E+00 0.313E+00
   -.735E+02 -.438E+02 0.548E+02   0.734E+02 0.438E+02 -.556E+02   0.605E-01 0.488E-01 0.785E+00
   0.730E+02 0.420E+02 -.539E+02   -.729E+02 -.420E+02 0.547E+02   -.654E-01 -.290E-01 -.790E+00
   0.126E+03 0.667E+02 -.900E+02   -.128E+03 -.680E+02 0.900E+02   0.226E+01 0.128E+01 0.761E-01
   -.114E+03 -.562E+02 0.919E+02   0.116E+03 0.575E+02 -.918E+02   -.224E+01 -.134E+01 -.563E-01
   -.116E+03 0.104E+03 -.252E+02   0.118E+03 -.104E+03 0.265E+02   -.237E+01 0.345E+00 -.133E+01
   0.127E+03 -.105E+03 0.315E+02   -.129E+03 0.106E+03 -.328E+02   0.221E+01 -.351E+00 0.130E+01
   0.320E+02 -.158E+03 -.353E+02   -.312E+02 0.160E+03 0.366E+02   -.846E+00 -.215E+01 -.127E+01
   -.328E+02 0.161E+03 0.350E+02   0.319E+02 -.163E+03 -.363E+02   0.847E+00 0.215E+01 0.127E+01
   -.329E+02 -.203E+02 0.163E+03   0.320E+02 0.198E+02 -.165E+03   0.836E+00 0.492E+00 0.244E+01
   0.321E+02 0.193E+02 -.161E+03   -.313E+02 -.188E+02 0.164E+03   -.848E+00 -.487E+00 -.245E+01
   0.155E+03 0.514E+02 -.363E+02   -.157E+03 -.532E+02 0.376E+02   0.144E+01 0.179E+01 -.126E+01
   -.155E+03 -.470E+02 0.332E+02   0.157E+03 0.488E+02 -.345E+02   -.144E+01 -.179E+01 0.126E+01
   0.126E+03 0.107E+03 -.328E+02   -.128E+03 -.107E+03 0.341E+02   0.225E+01 0.358E+00 -.124E+01
   -.114E+03 -.106E+03 0.224E+02   0.116E+03 0.106E+03 -.238E+02   -.230E+01 -.412E+00 0.133E+01
   -.155E+03 0.483E+02 -.342E+02   0.157E+03 -.501E+02 0.355E+02   -.145E+01 0.181E+01 -.128E+01
   0.155E+03 -.505E+02 0.358E+02   -.157E+03 0.523E+02 -.370E+02   0.144E+01 -.179E+01 0.127E+01
   0.320E+02 -.192E+02 0.161E+03   -.311E+02 0.187E+02 -.163E+03   -.846E+00 0.487E+00 0.246E+01
   -.329E+02 0.209E+02 -.164E+03   0.320E+02 -.204E+02 0.166E+03   0.846E+00 -.483E+00 -.245E+01
   0.142E+01 -.143E+03 -.897E+02   -.139E+01 0.146E+03 0.896E+02   -.257E-01 -.263E+01 0.961E-01
   0.254E+01 0.143E+03 0.891E+02   -.255E+01 -.146E+03 -.890E+02   0.168E-01 0.263E+01 -.905E-01
   -.116E+03 0.584E+02 -.893E+02   0.118E+03 -.597E+02 0.892E+02   -.236E+01 0.136E+01 0.114E+00
   0.127E+03 -.646E+02 0.884E+02   -.130E+03 0.659E+02 -.884E+02   0.223E+01 -.134E+01 -.102E+00
   0.161E+01 0.372E+02 0.165E+03   -.159E+01 -.362E+02 -.167E+03   -.164E-01 -.968E+00 0.245E+01
   0.244E+01 -.360E+02 -.165E+03   -.245E+01 0.351E+02 0.167E+03   0.722E-02 0.958E+00 -.244E+01
   -.331E+02 -.160E+03 -.349E+02   0.322E+02 0.162E+03 0.362E+02   0.838E+00 -.214E+01 -.127E+01
   0.321E+02 0.159E+03 0.357E+02   -.313E+02 -.161E+03 -.370E+02   -.848E+00 0.215E+01 0.128E+01
   0.467E+03 -.240E+03 -.136E+03   -.509E+03 0.232E+03 0.137E+03   0.419E+02 0.810E+01 -.943E+00
   -.361E+03 0.276E+03 0.151E+03   0.404E+03 -.268E+03 -.151E+03   -.430E+02 -.822E+01 0.844E+00
   0.465E+03 -.424E+02 -.274E+03   -.506E+03 0.444E+02 0.268E+03   0.416E+02 -.199E+01 0.643E+01
   -.384E+03 0.231E+02 0.312E+03   0.426E+03 -.247E+02 -.306E+03   -.421E+02 0.156E+01 -.612E+01
   -.257E+03 0.172E+03 0.469E+03   0.252E+03 -.202E+03 -.500E+03   0.492E+01 0.302E+02 0.308E+02
   0.253E+03 -.170E+03 -.469E+03   -.248E+03 0.200E+03 0.500E+03   -.493E+01 -.302E+02 -.308E+02
   -.256E+03 0.385E+03 0.318E+03   0.251E+03 -.404E+03 -.357E+03   0.494E+01 0.189E+02 0.387E+02
   0.253E+03 -.386E+03 -.317E+03   -.248E+03 0.405E+03 0.355E+03   -.493E+01 -.190E+02 -.387E+02
   0.278E+03 0.400E+03 0.285E+03   -.302E+03 -.435E+03 -.277E+03   0.238E+02 0.354E+02 -.800E+01
   -.279E+03 -.388E+03 -.287E+03   0.303E+03 0.424E+03 0.279E+03   -.238E+02 -.354E+02 0.800E+01
   0.227E+02 0.306E+03 -.470E+03   -.514E+02 -.317E+03 0.501E+03   0.287E+02 0.108E+02 -.307E+02
   -.224E+02 -.303E+03 0.456E+03   0.511E+02 0.314E+03 -.487E+03   -.287E+02 -.109E+02 0.307E+02
   -.281E+03 -.141E+03 -.464E+03   0.305E+03 0.121E+03 0.494E+03   -.239E+02 0.193E+02 -.307E+02
   0.279E+03 0.137E+03 0.469E+03   -.303E+03 -.118E+03 -.500E+03   0.239E+02 -.193E+02 0.307E+02
   0.206E+03 0.417E+03 -.322E+03   -.225E+03 -.422E+03 0.360E+03   0.189E+02 0.519E+01 -.387E+02
   -.208E+03 -.414E+03 0.312E+03   0.227E+03 0.420E+03 -.351E+03   -.189E+02 -.521E+01 0.387E+02
   0.463E+03 0.295E+03 0.133E+03   -.477E+03 -.336E+03 -.133E+03   0.140E+02 0.411E+02 0.399E-01
   -.463E+03 -.288E+03 -.132E+03   0.477E+03 0.329E+03 0.132E+03   -.140E+02 -.411E+02 0.443E-02
   0.260E+02 -.545E+03 0.131E+03   -.549E+02 0.578E+03 -.131E+03   0.288E+02 -.325E+02 -.341E-01
   -.229E+02 0.534E+03 -.130E+03   0.518E+02 -.567E+03 0.130E+03   -.288E+02 0.327E+02 0.818E-01
   -.461E+03 -.292E+02 -.314E+03   0.475E+03 0.156E+02 0.353E+03   -.140E+02 0.136E+02 -.387E+02
   0.462E+03 0.258E+02 0.320E+03   -.476E+03 -.122E+02 -.359E+03   0.140E+02 -.137E+02 0.387E+02
   0.205E+03 -.440E+03 0.286E+03   -.224E+03 0.478E+03 -.278E+03   0.189E+02 -.382E+02 -.798E+01
   -.207E+03 0.435E+03 -.285E+03   0.226E+03 -.473E+03 0.277E+03   -.190E+02 0.382E+02 0.804E+01
   0.465E+03 0.485E+02 0.273E+03   -.506E+03 -.522E+02 -.265E+03   0.418E+02 0.367E+01 -.718E+01
   -.366E+03 -.558E+02 -.311E+03   0.410E+03 0.595E+02 0.303E+03   -.435E+02 -.379E+01 0.730E+01
   0.466E+03 0.244E+03 0.133E+03   -.508E+03 -.237E+03 -.133E+03   0.417E+02 -.678E+01 0.431E-01
   -.383E+03 -.288E+03 -.128E+03   0.424E+03 0.282E+03 0.128E+03   -.417E+02 0.625E+01 0.446E+00
   -.257E+03 -.385E+03 -.318E+03   0.252E+03 0.404E+03 0.357E+03   0.492E+01 -.189E+02 -.388E+02
   0.253E+03 0.385E+03 0.317E+03   -.248E+03 -.404E+03 -.356E+03   -.494E+01 0.190E+02 0.388E+02
   -.256E+03 -.171E+03 -.469E+03   0.251E+03 0.201E+03 0.500E+03   0.494E+01 -.302E+02 -.308E+02
   0.253E+03 0.170E+03 0.469E+03   -.248E+03 -.201E+03 -.500E+03   -.493E+01 0.302E+02 0.308E+02
   0.278E+03 -.136E+03 -.472E+03   -.302E+03 0.117E+03 0.503E+03   0.238E+02 0.193E+02 -.307E+02
   -.280E+03 0.141E+03 0.462E+03   0.303E+03 -.122E+03 -.493E+03   -.238E+02 -.194E+02 0.307E+02
   0.224E+02 0.545E+03 -.133E+03   -.511E+02 -.578E+03 0.133E+03   0.287E+02 0.325E+02 0.823E-02
   -.227E+02 -.530E+03 0.134E+03   0.514E+02 0.563E+03 -.134E+03   -.287E+02 -.325E+02 0.429E-01
   -.282E+03 0.390E+03 0.287E+03   0.306E+03 -.425E+03 -.279E+03   -.240E+02 0.354E+02 -.800E+01
   0.280E+03 -.396E+03 -.286E+03   -.304E+03 0.432E+03 0.278E+03   0.239E+02 -.354E+02 0.794E+01
   0.206E+03 0.442E+03 -.286E+03   -.225E+03 -.480E+03 0.278E+03   0.189E+02 0.382E+02 0.801E+01
   -.208E+03 -.432E+03 0.287E+03   0.227E+03 0.470E+03 -.279E+03   -.189E+02 -.383E+02 -.797E+01
   0.463E+03 -.270E+02 -.322E+03   -.477E+03 0.134E+02 0.361E+03   0.140E+02 0.136E+02 -.387E+02
   -.463E+03 0.289E+02 0.315E+03   0.477E+03 -.152E+02 -.354E+03   -.140E+02 -.137E+02 0.388E+02
   0.253E+02 -.306E+03 0.470E+03   -.541E+02 0.316E+03 -.501E+03   0.288E+02 -.108E+02 0.306E+02
   -.225E+02 0.301E+03 -.460E+03   0.513E+02 -.312E+03 0.490E+03   -.288E+02 0.108E+02 -.308E+02
   -.461E+03 0.286E+03 0.132E+03   0.475E+03 -.327E+03 -.132E+03   -.141E+02 0.411E+02 0.629E-01
   0.462E+03 -.293E+03 -.131E+03   -.476E+03 0.334E+03 0.131E+03   0.140E+02 -.410E+02 -.280E-01
   0.205E+03 -.417E+03 0.320E+03   -.224E+03 0.422E+03 -.358E+03   0.189E+02 -.519E+01 0.387E+02
   -.207E+03 0.414E+03 -.315E+03   0.226E+03 -.419E+03 0.353E+03   -.190E+02 0.517E+01 -.387E+02
   -.707E+03 -.383E+01 -.400E+00   0.716E+03 0.345E+02 -.136E+02   -.917E+01 -.307E+02 0.140E+02
 -----------------------------------------------------------------------------------------------
   0.231E+02 0.221E+02 -.102E+02   0.341E-12 0.583E-12 -.878E-12   -.231E+02 -.221E+02 0.102E+02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -1.17836      5.44518      7.70119         0.025700     -0.000050      0.006820
      1.36400      5.50047      7.66853        -0.007156     -0.010024     -0.002259
     -9.42454     10.34312     14.61802         0.001135      0.003029     -0.003008
      9.43114      0.55377      0.77655         0.003137      0.003865     -0.003514
     -5.19354     12.79631      7.69465         0.006275      0.005269      0.002461
      5.19032     -1.88558      7.69454         0.004144      0.009549      0.001994
     13.66311      7.89723      0.77313         0.005295      0.007691     -0.006361
    -13.66427      3.00589     14.61597         0.005475      0.004550     -0.004577
     -5.18916      3.00299     14.61417         0.008275      0.002212     -0.000232
      5.19686      7.89534      0.77070        -0.003397      0.007628     -0.001000
     -5.18990     -1.88656      7.69705         0.003760      0.001987     -0.005011
    -13.65856     12.79668      7.69590         0.001434      0.006211     -0.003643
     -2.16078      9.65417      8.11944         0.003062     -0.001650     -0.001103
      2.16283      1.26878      7.25859        -0.006349     -0.001142     -0.001707
      2.15703      6.45905      3.60497        -0.002398      0.001566     -0.001839
     -2.14736      4.45094     11.77104        -0.001740     -0.000852      0.006921
     -2.78068     14.98863      3.59078        -0.001473     -0.003255     -0.001027
      2.78183     -4.08603     11.79942        -0.000160      0.001401      0.001894
      2.78530     12.49504      0.07203         0.000635      0.000439      0.002305
     -2.77822     -1.59913     15.32144        -0.001262     -0.000954     -0.002320
     -4.94386     11.25784      3.58909         0.001052      0.000721     -0.000200
      4.94002     -0.35265     11.80083        -0.001994     -0.002585      0.002330
     -2.15573      6.45061      3.59747         0.001674      0.000760      0.001672
      2.16261      4.47214     11.78763        -0.005735      0.001448      0.001224
      4.94805     11.25470      3.59084        -0.000879      0.002087     -0.001314
     -4.94343     -0.35950     11.80437         0.001326     -0.001578      0.001215
     -2.78020     12.49769      0.07085        -0.001478     -0.000055      0.003178
      2.78284     -1.59731     15.32106        -0.000168     -0.001051     -0.001378
      0.00545     13.38211      8.12072        -0.003180     -0.002792      0.000062
     -0.00227     -2.46066      7.27878         0.001012     -0.000426      0.000843
      2.15247      9.64229      8.10592        -0.001418      0.003151     -0.000702
     -2.14753      1.27995      7.28573        -0.002402     -0.007888     -0.001501
      0.00372      7.68777      0.07643        -0.002627     -0.001165      0.003188
     -0.00137      3.20427     15.29733         0.001433     -0.000556     -0.000385
      2.78645     14.98649      3.59152         0.000799     -0.002376     -0.001417
     -2.77896     -4.08921     11.80037        -0.001123      0.001792      0.001410
      3.38035      4.29477      8.27612        -0.009047     -0.023142      0.000665
     -0.00649      8.01225      8.04501         0.005857     -0.004907     -0.005119
      0.00842      2.91668      7.32719        -0.005951      0.001297     -0.002042
      0.00268      5.97604      5.16781         0.002199      0.003441      0.006493
      0.01208      4.96093     10.21469        -0.006941      0.002901     -0.000465
     -1.78382     14.79981      1.08369         0.001121      0.002976     -0.002132
      1.78931     -3.90143     14.30977        -0.002492     -0.002563      0.001321
      1.78947     14.79813      1.08432        -0.003047      0.003507     -0.002290
     -1.78256     -3.90170     14.30928         0.002062     -0.001702      0.001231
     -4.28252     13.36706      5.15009        -0.002020      0.001445      0.003709
      4.27967     -2.46064     10.23964         0.000698     -0.000111     -0.003479
     -2.49075      7.39799      1.08640        -0.001677      0.000672     -0.000338
      2.49276      3.50400     14.29685         0.002742      0.001604      0.001277
      4.28812     10.48569      1.07994         0.002170     -0.000648     -0.001968
     -4.28118      0.41079     14.31079        -0.001278      0.003685      0.001916
     -4.28179     10.48727      1.08136        -0.001626     -0.003061     -0.002771
      4.28102      0.41509     14.30955         0.000686      0.002066      0.001557
     -2.49163     12.33600      8.06094        -0.002794     -0.000659     -0.000952
      2.49208     -1.41794      7.33099         0.003254      0.000223     -0.001620
      2.49488     12.32932      8.05477         0.002465      0.003406      0.000090
     -2.49074     -1.41065      7.34177        -0.000999     -0.005385     -0.002188
      2.49527      7.39997      1.08891         0.003002      0.002089     -0.003323
     -2.48979      3.49725     14.28698        -0.001606      0.000443      0.004855
      4.28926     13.36788      5.15075         0.003095      0.001312      0.002209
     -4.28213     -2.46557     10.24242        -0.000029     -0.000884     -0.003744
     -0.00460      9.49374      8.13183         0.003307     -0.004267      0.001474
      0.00763      1.42956      7.25404        -0.002567      0.001887     -0.002572
      0.00060      6.38561      3.74065         0.002138     -0.002944      0.002731
      0.00784      4.53122     11.64056        -0.000755      0.004114     -0.001205
     -2.70865     13.85637      1.75079        -0.000024      0.000217     -0.000203
      2.71120     -2.95591     13.64103        -0.000025     -0.001366      0.000692
      2.71361     13.85406      1.75166         0.000623      0.002334     -0.001135
     -2.70693     -2.95798     13.64144        -0.000442     -0.000988      0.000271
     -3.92482     13.15939      3.72902        -0.001187      0.000571      0.000767
      3.92335     -2.25540     11.66134         0.000395     -0.000404     -0.001245
     -1.21071      7.07509      1.75687        -0.000303      0.001051      0.002713
      1.21502      3.82696     13.62250         0.000855      0.002511     -0.000866
      3.92979     11.75619      1.75054         0.001085      0.000416     -0.000955
     -3.92364     -0.86076     13.64326        -0.001250      0.000904      0.000729
     -3.92443     11.75864      1.74977        -0.001561     -0.000562     -0.000448
      3.92404     -0.85633     13.64137         0.000745      0.000802      0.000077
     -1.21207     11.59568      8.14119        -0.000738     -0.003722     -0.001450
      1.21430     -0.67431      7.25263         0.000961      0.002030     -0.001785
      1.21377     11.59006      8.13598         0.000424      0.003168     -0.002066
     -1.21086     -0.66902      7.26160        -0.000113     -0.001066     -0.002340
      1.21488      7.07746      1.75949         0.000175      0.002358     -0.000443
     -1.21009      3.82074     13.61518         0.000171      0.002380      0.000763
      3.93055     13.15760      3.72988         0.001179      0.000969     -0.000245
     -3.92403     -2.26048     11.66374        -0.001486     -0.000789     -0.001151
     -1.21624     10.19500      8.13994         0.003230     -0.005740     -0.001268
      1.21866      0.72692      7.24713        -0.004105      0.001532     -0.001689
      1.21504      6.61574      3.08178         0.000551      0.001674     -0.000586
     -1.20675      4.29166     12.29537         0.000238      0.001673     -0.000017
     -3.11498     14.09290      3.07001        -0.000464     -0.000001     -0.000852
      3.11576     -3.19060     12.32085         0.001099      0.001064      0.001033
      3.11980     12.68848      1.08983        -0.000478      0.001099      0.001301
     -3.11307     -1.79261     14.30374        -0.001431     -0.000228     -0.000374
     -4.33230     11.99314      3.06900         0.000475      0.000658     -0.000169
      4.33031     -1.08918     12.32146         0.000027     -0.000966      0.000440
     -1.21228      6.61086      3.07858         0.001651      0.000336      0.003339
      1.21931      4.30179     12.30413        -0.002812      0.002078     -0.000154
      4.33742     11.99055      3.07021         0.000337      0.001575     -0.000823
     -4.33182     -1.09490     12.32427        -0.000355     -0.000698      0.000833
     -3.11465     12.69085      1.08876        -0.000042      0.001114      0.001008
      3.11637     -1.78997     14.30283         0.000946     -0.000653     -0.000558
      0.00235     12.29356      8.14133        -0.001624     -0.002043      0.001868
      0.00029     -1.37227      7.25635         0.001358      0.000792      0.000654
      1.21141     10.18942      8.13240         0.000826      0.003331     -0.000990
     -1.20715      0.73220      7.26008        -0.001121     -0.001975     -0.000979
      0.00254      7.30651      1.09626        -0.001053     -0.002209      0.000978
      0.00113      3.59000     14.27932         0.000808     -0.000892     -0.001413
      3.12048     14.09074      3.07067         0.000321     -0.000279     -0.000540
     -3.11342     -3.19404     12.32199        -0.001999      0.000962      0.001206
     -1.13039      7.39538      8.01220        -0.000833     -0.000550      0.000807
      1.13524      3.51880      7.36165         0.001221     -0.005839     -0.001828
     -1.12470      5.09984      9.62950        -0.011592     -0.002702      0.005806
      1.13775      5.85258      5.75258         0.009932     -0.000317     -0.003062
     -8.04774     11.38997     13.67263         0.000478     -0.000824     -0.006554
      8.05434     -0.49237      1.72152        -0.000940      0.000399      0.003381
     -8.04837      9.10270     15.28996         0.000166     -0.004942     -0.003595
      8.05524      1.79423      0.10359        -0.001129      0.003751      0.002447
     -4.97910     12.47649      5.76233        -0.002036     -0.004387     -0.002597
      4.97509     -1.56869      9.62827         0.000842      0.005406      0.001980
     -3.59574      7.23262      1.72251        -0.000286     -0.001436      0.006751
      3.59936      3.66954     13.66368         0.000579      0.000049     -0.005993
      4.98662      9.61264      1.71418         0.000218      0.001092      0.005894
     -4.97855      1.28325     13.67400         0.000278      0.001553     -0.005953
     13.28169      6.08376      0.10334        -0.003451     -0.003644      0.002265
    -13.28211      4.81863     15.28779         0.003794      0.002977     -0.002742
     -6.95471     13.62799      7.38517        -0.004585     -0.001822      0.001497
      6.95331     -2.71020      8.00552         0.001401      0.001835     -0.001279
     -3.59800     -0.75961      7.39612        -0.000919      0.001111     -0.000265
      3.60012     11.67620      7.99870         0.000332     -0.003516      0.000949
      6.95732      8.46007      0.08335         0.002766     -0.002269      0.004671
     -6.95085      2.43849     15.29300        -0.003611      0.002103     -0.003627
     13.28801     -1.91556      5.76181        -0.001364      0.003237     -0.002801
    -13.28078     12.81981      9.62886         0.002325     -0.004275      0.002104
     -1.12212      5.79933      5.75930        -0.002438      0.000460     -0.000081
      1.14028      5.13640      9.64262        -0.000163      0.000997      0.004939
     -1.12854      3.51253      7.38297        -0.010570     -0.006673      0.000417
      1.12755      7.41584      7.97012         0.012272      0.003397     -0.001122
     10.80795      1.79387      0.10443         0.001004      0.005282      0.002107
    -10.80115      9.10369     15.28970        -0.001262     -0.004336     -0.002987
     10.80738     -0.49377      1.72195         0.000519      0.000811      0.004312
    -10.80022     11.39014     13.67205        -0.001496     -0.001100     -0.005587
     -4.97807      9.61354      1.71770        -0.001896      0.000659      0.005462
      4.97676      1.28856     13.67258         0.000621     -0.000390     -0.005204
     -3.59656     11.68099      8.00544         0.000160     -0.006850     -0.001197
      3.59879     -0.76566      7.38549        -0.000353      0.006154      0.002455
      4.98863     12.47975      5.76275         0.000298     -0.006034     -0.002988
     -4.97998     -1.57451      9.63238        -0.000179      0.004751      0.000629
     -5.57551     12.82307      9.62725        -0.003747     -0.003319      0.002671
      5.57269     -1.91614      5.76151         0.003169      0.004404     -0.002322
     11.90189      8.46521      0.09270        -0.004865     -0.001828      0.000616
    -11.90152      2.43760     15.29128         0.001516      0.000771     -0.001102
     -3.59686      3.66306     13.65453         0.000212      0.001537     -0.003305
      3.60037      7.23483      1.72372         0.000177     -0.000393      0.003464
    -11.89851     13.63515      7.39387         0.003014     -0.004994      0.000407
     11.90419     -2.71638      8.00120        -0.003153      0.004794      0.000005
     -5.56824      4.81760     15.28632        -0.002408      0.003466     -0.002944
      5.57558      6.08094      0.10350         0.003372     -0.002723      0.003119
      3.13653      5.14825      7.87345        -0.005908     -0.012603      0.019717
 -----------------------------------------------------------------------------------
    total drift:                                0.013321      0.001658      0.011214


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -1222.80774256 eV

  energy  without entropy=    -1222.80774256  energy(sigma->0) =    -1222.80774256
 


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


    POTLOK:  cpu time    0.7785: real time    0.7797


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


 stress matrix after NEB project (eV)
     -2.20270     -0.22534      0.08839
     -0.22534     -1.86881      0.07937
      0.08839      0.07937     -1.79461
  FORCES: max atom, RMS     0.026590    0.006098
  FORCE total and by dimension    0.076654    0.025700
  Stress total and by dimension    3.419757    2.202696
 writing wavefunctions
     LOOP+:  cpu time  102.9740: real time  103.5683
    4ORBIT:  cpu time    0.0010: real time    0.0011
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.291   6.256   4.152  10.699
  2        0.322   6.337   4.100  10.759
  3        0.350   6.312   4.438  11.100
  4        0.350   6.312   4.438  11.099
  5        0.350   6.311   4.437  11.099
  6        0.350   6.312   4.437  11.099
  7        0.350   6.311   4.437  11.098
  8        0.350   6.312   4.437  11.099
  9        0.350   6.311   4.437  11.098
 10        0.350   6.311   4.436  11.097
 11        0.350   6.311   4.436  11.097
 12        0.350   6.311   4.436  11.096
 13        0.636   0.048   0.000   0.685
 14        0.636   0.048   0.000   0.685
 15        0.635   0.049   0.000   0.684
 16        0.636   0.048   0.000   0.685
 17        0.636   0.048   0.000   0.684
 18        0.636   0.048   0.000   0.685
 19        0.636   0.048   0.000   0.685
 20        0.636   0.048   0.000   0.684
 21        0.636   0.048   0.000   0.685
 22        0.636   0.048   0.000   0.685
 23        0.636   0.048   0.000   0.685
 24        0.636   0.048   0.000   0.684
 25        0.636   0.048   0.000   0.684
 26        0.636   0.048   0.000   0.685
 27        0.636   0.048   0.000   0.684
 28        0.636   0.048   0.000   0.685
 29        0.636   0.048   0.000   0.684
 30        0.636   0.048   0.000   0.685
 31        0.635   0.049   0.000   0.684
 32        0.636   0.048   0.000   0.685
 33        0.636   0.048   0.000   0.684
 34        0.636   0.048   0.000   0.685
 35        0.636   0.048   0.000   0.685
 36        0.636   0.048   0.000   0.684
 37        0.619   0.119   0.000   0.737
 38        0.861   1.698   0.000   2.560
 39        0.862   1.700   0.000   2.562
 40        0.861   1.698   0.000   2.560
 41        0.863   1.699   0.000   2.562
 42        0.864   1.701   0.000   2.565
 43        0.864   1.701   0.000   2.565
 44        0.864   1.701   0.000   2.565
 45        0.864   1.701   0.000   2.565
 46        0.864   1.700   0.000   2.565
 47        0.864   1.701   0.000   2.565
 48        0.864   1.700   0.000   2.565
 49        0.864   1.700   0.000   2.564
 50        0.864   1.700   0.000   2.564
 51        0.864   1.701   0.000   2.565
 52        0.864   1.700   0.000   2.565
 53        0.864   1.701   0.000   2.565
 54        0.864   1.701   0.000   2.565
 55        0.864   1.700   0.000   2.564
 56        0.864   1.700   0.000   2.565
 57        0.864   1.700   0.000   2.564
 58        0.864   1.701   0.000   2.565
 59        0.864   1.700   0.000   2.564
 60        0.864   1.700   0.000   2.564
 61        0.864   1.701   0.000   2.565
 62        0.865   1.785   0.000   2.651
 63        0.865   1.782   0.000   2.648
 64        0.865   1.785   0.000   2.650
 65        0.865   1.782   0.000   2.648
 66        0.865   1.787   0.000   2.652
 67        0.865   1.787   0.000   2.652
 68        0.865   1.787   0.000   2.652
 69        0.865   1.787   0.000   2.652
 70        0.865   1.787   0.000   2.652
 71        0.865   1.787   0.000   2.652
 72        0.865   1.786   0.000   2.651
 73        0.865   1.786   0.000   2.651
 74        0.865   1.786   0.000   2.651
 75        0.865   1.787   0.000   2.652
 76        0.865   1.787   0.000   2.652
 77        0.865   1.787   0.000   2.652
 78        0.865   1.786   0.000   2.651
 79        0.865   1.786   0.000   2.651
 80        0.865   1.786   0.000   2.651
 81        0.865   1.786   0.000   2.650
 82        0.865   1.786   0.000   2.651
 83        0.865   1.786   0.000   2.651
 84        0.865   1.786   0.000   2.651
 85        0.865   1.787   0.000   2.652
 86        0.874   1.760   0.000   2.635
 87        0.874   1.760   0.000   2.634
 88        0.875   1.759   0.000   2.634
 89        0.874   1.759   0.000   2.634
 90        0.874   1.760   0.000   2.634
 91        0.874   1.760   0.000   2.634
 92        0.874   1.760   0.000   2.634
 93        0.874   1.760   0.000   2.634
 94        0.874   1.760   0.000   2.634
 95        0.874   1.760   0.000   2.635
 96        0.874   1.760   0.000   2.634
 97        0.875   1.759   0.000   2.634
 98        0.874   1.759   0.000   2.634
 99        0.874   1.760   0.000   2.635
100        0.874   1.760   0.000   2.634
101        0.874   1.760   0.000   2.634
102        0.874   1.759   0.000   2.634
103        0.875   1.760   0.000   2.635
104        0.875   1.759   0.000   2.634
105        0.874   1.759   0.000   2.634
106        0.874   1.759   0.000   2.634
107        0.875   1.760   0.000   2.635
108        0.874   1.760   0.000   2.635
109        0.874   1.760   0.000   2.634
110        1.572   3.570   0.000   5.142
111        1.575   3.560   0.000   5.135
112        1.572   3.572   0.000   5.143
113        1.573   3.568   0.000   5.141
114        1.574   3.560   0.000   5.134
115        1.574   3.560   0.000   5.134
116        1.574   3.560   0.000   5.134
117        1.574   3.560   0.000   5.134
118        1.574   3.560   0.000   5.134
119        1.574   3.560   0.000   5.134
120        1.574   3.560   0.000   5.134
121        1.574   3.560   0.000   5.134
122        1.574   3.560   0.000   5.134
123        1.574   3.560   0.000   5.134
124        1.574   3.560   0.000   5.134
125        1.574   3.560   0.000   5.134
126        1.574   3.560   0.000   5.134
127        1.574   3.560   0.000   5.134
128        1.574   3.560   0.000   5.134
129        1.574   3.559   0.000   5.134
130        1.574   3.560   0.000   5.134
131        1.574   3.560   0.000   5.134
132        1.574   3.560   0.000   5.134
133        1.574   3.560   0.000   5.135
134        1.572   3.570   0.000   5.142
135        1.576   3.559   0.000   5.134
136        1.572   3.572   0.000   5.144
137        1.573   3.570   0.000   5.143
138        1.574   3.560   0.000   5.134
139        1.574   3.560   0.000   5.134
140        1.574   3.560   0.000   5.134
141        1.574   3.560   0.000   5.134
142        1.574   3.560   0.000   5.134
143        1.574   3.560   0.000   5.134
144        1.574   3.560   0.000   5.134
145        1.574   3.560   0.000   5.134
146        1.574   3.560   0.000   5.134
147        1.574   3.560   0.000   5.134
148        1.574   3.560   0.000   5.135
149        1.574   3.560   0.000   5.134
150        1.574   3.560   0.000   5.134
151        1.574   3.560   0.000   5.134
152        1.574   3.560   0.000   5.134
153        1.574   3.560   0.000   5.134
154        1.574   3.560   0.000   5.134
155        1.574   3.560   0.000   5.134
156        1.574   3.560   0.000   5.134
157        1.574   3.560   0.000   5.135
158        1.572   3.503   0.000   5.075
------------------------------------------------
tot      159.598 377.338  52.620 589.556
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.061   0.020   3.118   3.199
  2       -0.027  -0.001  -2.365  -2.392
  3        0.018  -0.001   1.428   1.444
  4       -0.018   0.001  -1.428  -1.445
  5       -0.018   0.001  -1.430  -1.447
  6        0.018  -0.001   1.430   1.447
  7       -0.018   0.001  -1.431  -1.447
  8        0.018  -0.001   1.430   1.447
  9        0.018  -0.001   1.434   1.450
 10       -0.018   0.001  -1.434  -1.451
 11       -0.018   0.001  -1.435  -1.452
 12        0.018  -0.001   1.435   1.451
 13       -0.000   0.000   0.000   0.000
 14       -0.000  -0.000   0.000  -0.000
 15       -0.000   0.000   0.000  -0.000
 16        0.000  -0.000   0.000   0.000
 17       -0.000   0.000   0.000  -0.000
 18        0.000  -0.000   0.000   0.000
 19        0.000  -0.000   0.000   0.000
 20       -0.000   0.000   0.000  -0.000
 21       -0.000   0.000   0.000  -0.000
 22        0.000  -0.000   0.000   0.000
 23       -0.000   0.000   0.000   0.000
 24       -0.000  -0.000   0.000  -0.000
 25       -0.000   0.000   0.000  -0.000
 26       -0.000   0.000   0.000  -0.000
 27        0.000  -0.000   0.000   0.000
 28       -0.000   0.000   0.000  -0.000
 29       -0.000   0.000   0.000  -0.000
 30       -0.000   0.000   0.000  -0.000
 31       -0.000   0.000   0.000  -0.000
 32       -0.000   0.000   0.000   0.000
 33        0.000  -0.000   0.000   0.000
 34       -0.000   0.000   0.000  -0.000
 35       -0.000   0.000   0.000  -0.000
 36        0.000  -0.000   0.000   0.000
 37       -0.010   0.000   0.000  -0.010
 38        0.002   0.006   0.000   0.008
 39        0.001   0.007   0.000   0.008
 40        0.002   0.006   0.000   0.007
 41        0.001   0.007   0.000   0.008
 42        0.000  -0.000   0.000  -0.000
 43       -0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46       -0.000   0.000   0.000  -0.000
 47       -0.000  -0.000   0.000  -0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50       -0.000  -0.000   0.000  -0.000
 51       -0.000  -0.000   0.000  -0.000
 52        0.000   0.000   0.000   0.000
 53       -0.000  -0.000   0.000  -0.000
 54        0.000   0.000   0.000   0.000
 55        0.000   0.000   0.000   0.000
 56       -0.000  -0.000   0.000  -0.000
 57        0.000   0.000   0.000   0.000
 58        0.000   0.000   0.000   0.000
 59        0.000   0.000   0.000   0.000
 60        0.000   0.000   0.000   0.000
 61        0.000   0.000   0.000   0.000
 62       -0.000  -0.001   0.000  -0.001
 63       -0.000  -0.001   0.000  -0.001
 64       -0.000  -0.001   0.000  -0.001
 65       -0.000  -0.001   0.000  -0.001
 66        0.000   0.000   0.000   0.000
 67       -0.000  -0.000   0.000  -0.000
 68       -0.000  -0.000   0.000  -0.000
 69       -0.000  -0.000   0.000  -0.000
 70       -0.000  -0.000   0.000  -0.000
 71        0.000   0.000   0.000   0.000
 72        0.000  -0.000   0.000  -0.000
 73       -0.000  -0.000   0.000  -0.001
 74        0.000   0.000   0.000   0.000
 75       -0.000  -0.000   0.000  -0.000
 76       -0.000   0.000   0.000   0.000
 77        0.000   0.000   0.000   0.000
 78       -0.000  -0.000   0.000  -0.000
 79       -0.000  -0.000   0.000  -0.000
 80       -0.000  -0.000   0.000  -0.000
 81       -0.000  -0.000   0.000  -0.000
 82       -0.000  -0.000   0.000  -0.000
 83       -0.000  -0.000   0.000  -0.000
 84       -0.000  -0.000   0.000  -0.000
 85        0.000   0.000   0.000   0.000
 86        0.000   0.001   0.000   0.001
 87       -0.000   0.001   0.000   0.001
 88        0.000   0.002   0.000   0.002
 89        0.000   0.000   0.000   0.000
 90        0.000   0.000   0.000   0.000
 91       -0.000  -0.000   0.000  -0.000
 92       -0.000  -0.001   0.000  -0.001
 93        0.000   0.001   0.000   0.001
 94        0.000   0.001   0.000   0.001
 95       -0.000  -0.001   0.000  -0.001
 96        0.000   0.001   0.000   0.001
 97       -0.000   0.001   0.000   0.001
 98        0.000   0.000   0.000   0.000
 99        0.000   0.000   0.000   0.000
100       -0.000  -0.001   0.000  -0.001
101        0.000   0.001   0.000   0.001
102        0.000   0.001   0.000   0.001
103        0.000   0.001   0.000   0.001
104       -0.000   0.001   0.000   0.000
105        0.000   0.001   0.000   0.001
106       -0.000  -0.000   0.000  -0.000
107        0.000   0.002   0.000   0.002
108        0.000   0.001   0.000   0.001
109       -0.000  -0.001   0.000  -0.001
110       -0.001  -0.027   0.000  -0.028
111        0.001   0.019   0.000   0.020
112       -0.001  -0.024   0.000  -0.025
113        0.001   0.020   0.000   0.022
114       -0.000  -0.016   0.000  -0.017
115        0.000   0.016   0.000   0.017
116       -0.000  -0.016   0.000  -0.016
117        0.000   0.016   0.000   0.016
118        0.000   0.016   0.000   0.017
119       -0.000  -0.016   0.000  -0.017
120        0.000   0.016   0.000   0.017
121       -0.000  -0.016   0.000  -0.017
122        0.000   0.016   0.000   0.017
123       -0.000  -0.016   0.000  -0.017
124        0.000   0.016   0.000   0.016
125       -0.000  -0.016   0.000  -0.016
126        0.000   0.016   0.000   0.017
127       -0.000  -0.016   0.000  -0.017
128        0.000   0.016   0.000   0.017
129       -0.000  -0.017   0.000  -0.017
130        0.000   0.016   0.000   0.016
131       -0.000  -0.016   0.000  -0.017
132        0.000   0.016   0.000   0.017
133       -0.000  -0.016   0.000  -0.017
134       -0.001  -0.026   0.000  -0.027
135        0.001   0.016   0.000   0.017
136       -0.001  -0.024   0.000  -0.025
137        0.001   0.021   0.000   0.022
138        0.000   0.016   0.000   0.017
139       -0.000  -0.016   0.000  -0.017
140        0.000   0.016   0.000   0.016
141       -0.000  -0.016   0.000  -0.016
142        0.000   0.016   0.000   0.016
143       -0.000  -0.016   0.000  -0.016
144        0.000   0.016   0.000   0.017
145       -0.000  -0.016   0.000  -0.017
146       -0.000  -0.016   0.000  -0.017
147        0.000   0.016   0.000   0.017
148        0.000   0.016   0.000   0.017
149       -0.000  -0.016   0.000  -0.017
150        0.000   0.016   0.000   0.017
151       -0.000  -0.016   0.000  -0.017
152       -0.000  -0.016   0.000  -0.017
153        0.000   0.016   0.000   0.017
154       -0.000  -0.016   0.000  -0.017
155        0.000   0.016   0.000   0.017
156       -0.000  -0.016   0.000  -0.017
157        0.000   0.016   0.000   0.017
158       -0.003   0.031   0.000   0.028
------------------------------------------------
tot        0.027   0.055   0.752   0.834
 

 total amount of memory used by VASP on root node   137013. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      19834. kBytes
   fftplans  :      13655. kBytes
   grid      :      44728. kBytes
   one-center:        248. kBytes
   wavefun   :      28548. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      224.824
                            User time (sec):      219.316
                          System time (sec):        5.509
                         Elapsed time (sec):      227.939
  
                   Maximum memory used (kb):      424808.
                   Average memory used (kb):           0.
  
                          Minor page faults:        94173
                          Major page faults:           10
                 Voluntary context switches:        28471
