vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  17:50:19 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
        0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.00931635       0.09091192       0.50471362 
           0.93520735       0.15216976       0.57639582 
           0.98243759       0.96348672       0.76525681 
           0.12361172       0.71149011       0.54042806 
           0.96235146       0.50260556       0.68487206 
           0.19312770       0.88447711       0.68790834 
           0.01062685       0.25572962       0.53642734 
           0.96005294       0.02577751       0.75127969 
           0.19113303       0.95768380       0.61185014 
           0.54553056       0.69667502       0.58013913 
           0.60371959       0.70957870       0.15800616 
           0.65398117       0.08638866       0.60678698 
           0.54496868       0.87368287       0.78686458 
           0.04271220       0.89266291       0.06840024 
           0.03735936       0.56949785       0.84902509 
           0.03178742       0.42261599       0.39586039 
           0.78363248       0.79488662       0.11241278 
           0.78796912       0.25152280       0.60810385 
           0.46017718       0.71434293       0.45996803 
           0.64478615       0.89388645       0.50561812 
           0.11470363       0.71693628       0.55963797 
           0.82674140       0.23349006       0.16138851 
           0.31897475       0.34089179       0.79080674 
           0.12534793       0.35015843       0.86310762 
           0.01828116       0.23513438       0.83693317 
           0.75157350       0.32996924       0.90072568 
           0.75412584       0.20848251       0.35520961 
           0.07546680       0.72996484       0.60722512 
           0.13955738       0.61933425       0.99090636 
           0.77198832       0.64159244       0.63353716 
           0.70793808       0.15895807       0.91989800 
           0.98751378       0.36010619       0.82410452 
           0.03928685       0.55703529       0.92868145 
           0.56600540       0.65651134       0.28834981 
           0.01796460       0.33236528       0.07126869 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      200
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        35 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.00931635       0.09091192       0.50471362 
          0.93520735       0.15216976       0.57639582 
          0.98243759       0.96348672       0.76525681 
          0.12361172       0.71149011       0.54042806 
          0.96235146       0.50260556       0.68487206 
          0.19312770       0.88447711       0.68790834 
          0.01062685       0.25572962       0.53642734 
          0.96005294       0.02577751       0.75127969 
          0.19113303       0.95768380       0.61185014 
          0.54553056       0.69667502       0.58013913 
          0.60371959       0.70957870       0.15800616 
          0.65398117       0.08638866       0.60678698 
          0.54496868       0.87368287       0.78686458 
          0.04271220       0.89266291       0.06840024 
          0.03735936       0.56949785       0.84902509 
          0.03178742       0.42261599       0.39586039 
          0.78363248       0.79488662       0.11241278 
          0.78796912       0.25152280       0.60810385 
          0.46017718       0.71434293       0.45996803 
          0.64478615       0.89388645       0.50561812 
          0.11470363       0.71693628       0.55963797 
          0.82674140       0.23349006       0.16138851 
          0.31897475       0.34089179       0.79080674 
          0.12534793       0.35015843       0.86310762 
          0.01828116       0.23513438       0.83693317 
          0.75157350       0.32996924       0.90072568 
          0.75412584       0.20848251       0.35520961 
          0.07546680       0.72996484       0.60722512 
          0.13955738       0.61933425       0.99090636 
          0.77198832       0.64159244       0.63353716 
          0.70793808       0.15895807       0.91989800 
          0.98751378       0.36010619       0.82410452 
          0.03928685       0.55703529       0.92868145 
          0.56600540       0.65651134       0.28834981 
          0.01796460       0.33236528       0.07126869 
  
 
 
  
       6.07    6.13
       6.60    6.66
   
         24.76344702 
        332.90441041 
      -2354.86713989 
       -291.12217566 
       3170.77583059 
      -2609.60722799 
         -0.00171455 
       -206.96633069 
       3755.32434067 
       1821.20343992 
       1821.20515447 
       1821.20401144 
   
  
  
       8.29    8.35
       8.30    8.35
   
       1034.52948999 
       1034.54174697 
       1034.53357565 
   
  
  
       8.41    8.46
       8.41    8.46
   
        793.87163784 
        793.87037225 
        793.87121597 
   
  
  
       6.63    6.70
       6.63    6.70
   
        750.73330676 
        750.71139551 
        750.72600301 
   
  
  
       6.57    6.62
       6.68    6.75
   
        742.28639367 
        742.27036195 
        742.28104977 
   
  
  
       6.89    6.95
       7.45    7.52
   
        914.21804073 
        914.24369097 
        914.22659081 
   
  
  
       6.73    6.79
       7.29    7.35
   
        909.12312464 
        909.09962089 
        909.11529006 
   
  
  
       7.55    7.60
       8.13    8.19
   
        897.91463636 
        897.95741019 
        897.92889430 
   
  
  
       6.62    6.68
       7.18    7.25
   
        920.93806449 
        920.92499446 
        920.93370781 
   
  
  
       6.96    7.01
       7.51    7.57
   
        919.54936451 
        919.54128954 
        919.54667285 
   
  
  
       7.89    7.95
       8.45    8.51
   
        923.13131997 
        923.14741991 
        923.13668662 
   
  
  
       7.21    7.26
       7.76    7.82
   
        923.33414444 
        923.30496752 
        923.32441880 
   
  
  
       7.68    7.75
       8.24    8.31
   
        920.26397066 
        920.31579834 
        920.28124655 
   
  
  
       6.62    6.68
       7.18    7.24
   
        920.89362032 
        920.93015443 
        920.90579835 
   
  
  
       7.39    7.46
       7.95    8.02
   
        916.37970355 
        916.36967253 
        916.37635987 
   
  
  
       7.27    7.32
       7.85    7.91
   
        915.56197714 
        915.60044327 
        915.57479918 
   
  
  
       7.52    7.58
       8.10    8.16
   
        918.06741177 
        918.06798644 
        918.06760332 
   
  
  
       6.15    6.23
       6.73    6.82
   
        925.74393625 
        925.69768335 
        925.72851862 
   
  
  
       7.13    7.18
       7.69    7.75
   
        928.10178663 
        928.09295808 
        928.09884378 
   
  
  
       6.84    6.89
       7.40    7.46
   
        937.11440867 
        937.13263457 
        937.12048397 
   
  
  
       5.85    5.91
       6.43    6.50
   
        947.81662916 
        947.81720346 
        947.81682059 
   
  
  
       7.23    7.29
       7.81    7.86
   
        952.44813674 
        952.46232220 
        952.45286523 
   
  
  
       7.53    7.60
       8.10    8.17
   
        952.58760110 
        952.60222116 
        952.59247446 
   
  
  
       6.38    6.44
       6.95    7.01
   
        957.51358657 
        957.53204164 
        957.51973826 
   
  
  
       6.46    6.52
       7.04    7.10
   
        951.35228390 
        951.35824908 
        951.35427230 
   
  
  
       7.78    7.83
       8.38    8.44
   
        932.00865491 
        932.02261758 
        932.01330913 
   
  
  
       6.35    6.40
       6.96    7.02
   
        941.25025796 
        941.24981402 
        941.25010998 
   
  
  
       6.58    6.63
       7.21    7.26
   
        931.27453962 
        931.28652933 
        931.27853619 
   
  
  
       7.74    7.80
       8.33    8.39
   
        930.40920072 
        930.40487593 
        930.40775913 
   
  
  
       6.38    6.44
       6.97    7.03
   
        930.13444693 
        930.13103005 
        930.13330797 
   
  
  
       6.52    6.58
       7.09    7.15
   
        931.47612904 
        931.46223941 
        931.47149917 
   
  
  
       6.47    6.55
       7.06    7.15
   
        929.98540516 
        929.97316534 
        929.98132522 
   
  
  
       6.19    6.25
       6.80    6.87
   
        931.66019837 
        931.64814329 
        931.65618001 
   
  
  
       7.14    7.22
       7.80    7.89
   
        932.11345624 
        932.11475193 
        932.11388814 
   
  
  
       6.79    6.85
       7.44    7.50
   
        932.21951454 
        932.22520078 
        932.22140995 
   
  
  
       6.91    6.96
       7.53    7.59
   
        932.73122948 
        932.73537114 
        932.73261003 
   
  
  
       6.69    6.75
       7.34    7.40
   
        932.29585196 
        932.29353290 
        932.29507894 
   
  
  
       6.20    6.26
       6.81    6.87
   
        930.09162536 
        930.06963047 
        930.08429373 
   
  
  
       5.78    5.84
       6.38    6.44
   
        930.06751257 
        930.04553043 
        930.06018519 
   
  
  
       4.52    4.58
       5.16    5.22
   
        929.69256395 
        929.67384739 
        929.68632509 
   
  
  
       4.77    4.82
       5.36    5.41
   
        929.20508727 
        929.20324012 
        929.20447156 
   
  
  
       4.94    4.99
       5.54    5.60
   
        927.97226610 
        927.96814500 
        927.97089240 
   
  
  
       4.66    4.72
       5.26    5.32
   
        927.19495808 
        927.18869802 
        927.19287139 
   
  
  
       4.71    4.76
       5.31    5.36
   
        928.17956262 
        928.18484741 
        928.18132422 
   
  
  
       5.07    5.12
       5.67    5.73
   
        930.49571310 
        930.50323359 
        930.49821993 
   
  
  
       3.88    3.93
       4.48    4.54
   
        931.14862315 
        931.15278826 
        931.15001152 
   
  
  
       3.29    3.35
       3.93    3.99
   
        931.97723438 
        931.97987291 
        931.97811389 
   
  
  
       2.99    3.04
       3.56    3.61
   
        933.93444369 
        933.93825522 
        933.93571420 
   
  
  
       3.40    3.45
       3.97    4.02
   
        936.69977747 
        936.69279664 
        936.69745052 
   
  
  
       3.76    3.81
       4.34    4.40
   
        937.53083292 
        937.51211185 
        937.52459256 
   
  
  
       3.31    3.36
       3.89    3.94
   
       1039.63114092 
       1039.64173829 
       1039.63467338 
   
  
  
       3.69    3.74
       4.27    4.32
   
       1034.38050447 
       1034.40834908 
       1034.38978601 
   
  
  
       4.00    4.04
       4.58    4.64
   
       1033.78339042 
       1033.82355351 
       1033.79677811 
   
  
  
       3.87    3.93
       4.46    4.51
   
       1034.91126059 
       1034.96757094 
       1034.93003071 
   
  
  
       2.21    2.26
       2.80    2.85
   
       1035.06246257 
       1035.10945189 
       1035.07812568 
   
  
  
       1.89    1.94
       2.49    2.54
   
       1064.45823455 
       1064.50063329 
       1064.47236747 
   
  
  
       2.26    2.32
       2.85    2.91
   
       1055.55168673 
       1055.61526692 
       1055.57288013 
   
  
  
       2.26    2.31
       2.80    2.85
   
       1054.89291889 
       1054.95534701 
       1054.91372826 
   
  
  
       1.84    1.88
       2.38    2.42
   
       1092.55137313 
       1092.58029900 
       1092.56101509 
   
  
  
       2.27    2.32
       2.80    2.85
   
     -15642.25488373 
     -15642.25626957 
     -15642.25534568 
   
  
  
       2.24    2.28
       2.77    2.81
   
        869.56127705 
        869.57991329 
        869.56748913