vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  17:27:10 
 
 
  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 
    
   
   
           0.00931625       0.09091146       0.50471342 
           0.93520784       0.15217073       0.57639711 
           0.98243619       0.96348790       0.76525541 
           0.12361289       0.71148932       0.54042876 
           0.96234998       0.50260587       0.68487217 
           0.19313240       0.88447398       0.68791130 
           0.01062815       0.25573024       0.53642597 
           0.96004980       0.02577850       0.75127937 
           0.19113367       0.95768503       0.61184885 
           0.54553234       0.69667501       0.58014111 
           0.60371708       0.70957860       0.15800564 
           0.65398095       0.08638942       0.60678864 
           0.54496983       0.87368309       0.78686422 
           0.04271211       0.89266150       0.06839976 
           0.03735542       0.56949905       0.84902248 
           0.03178773       0.42261556       0.39586102 
           0.78363124       0.79488506       0.11241341 
           0.78796914       0.25152357       0.60810300 
           0.46017651       0.71434457       0.45996778 
           0.64478813       0.89388508       0.50562007 
           0.11470468       0.71693463       0.55963831 
           0.82673958       0.23348845       0.16138863 
           0.31897459       0.34089284       0.79080697 
           0.12534708       0.35015875       0.86310699 
           0.01827949       0.23513245       0.83692704 
           0.75157470       0.32996825       0.90072457 
           0.75412484       0.20848393       0.35521028 
           0.07546798       0.72996361       0.60722381 
           0.13955770       0.61933270       0.99090711 
           0.77198959       0.64159255       0.63353833 
           0.70793858       0.15895809       0.91989649 
           0.98751409       0.36010773       0.82410402 
           0.03928975       0.55703423       0.92867857 
           0.56600616       0.65651284       0.28834952 
           0.01796559       0.33236652       0.07126813 
   
  
  
           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 
   
  
  
          0.00931625       0.09091146       0.50471342 
          0.93520784       0.15217073       0.57639711 
          0.98243619       0.96348790       0.76525541 
          0.12361289       0.71148932       0.54042876 
          0.96234998       0.50260587       0.68487217 
          0.19313240       0.88447398       0.68791130 
          0.01062815       0.25573024       0.53642597 
          0.96004980       0.02577850       0.75127937 
          0.19113367       0.95768503       0.61184885 
          0.54553234       0.69667501       0.58014111 
          0.60371708       0.70957860       0.15800564 
          0.65398095       0.08638942       0.60678864 
          0.54496983       0.87368309       0.78686422 
          0.04271211       0.89266150       0.06839976 
          0.03735542       0.56949905       0.84902248 
          0.03178773       0.42261556       0.39586102 
          0.78363124       0.79488506       0.11241341 
          0.78796914       0.25152357       0.60810300 
          0.46017651       0.71434457       0.45996778 
          0.64478813       0.89388508       0.50562007 
          0.11470468       0.71693463       0.55963831 
          0.82673958       0.23348845       0.16138863 
          0.31897459       0.34089284       0.79080697 
          0.12534708       0.35015875       0.86310699 
          0.01827949       0.23513245       0.83692704 
          0.75157470       0.32996825       0.90072457 
          0.75412484       0.20848393       0.35521028 
          0.07546798       0.72996361       0.60722381 
          0.13955770       0.61933270       0.99090711 
          0.77198959       0.64159255       0.63353833 
          0.70793858       0.15895809       0.91989649 
          0.98751409       0.36010773       0.82410402 
          0.03928975       0.55703423       0.92867857 
          0.56600616       0.65651284       0.28834952 
          0.01796559       0.33236652       0.07126813 
  
 
 
  
       6.06    6.15
       6.65    6.73
   
         24.76344702 
        332.94942802 
      -2354.87218354 
       -291.12243766 
       3170.77583059 
      -2609.60722799 
         -0.00171927 
       -206.96407650 
       3755.32434067 
       1821.24540135 
       1821.24712062 
       1821.24597444 
   
  
  
       8.31    8.37
       8.31    8.38
   
       1034.57187644 
       1034.58413405 
       1034.57596231 
   
  
  
       8.41    8.46
       8.41    8.47
   
        793.91272413 
        793.91146596 
        793.91230474 
   
  
  
       6.67    6.74
       6.68    6.74
   
        750.77261333 
        750.75071169 
        750.76531278 
   
  
  
       6.56    6.62
       6.69    6.74
   
        742.32532080 
        742.30929682 
        742.31997947 
   
  
  
       6.86    6.93
       7.43    7.49
   
        914.27549805 
        914.30132721 
        914.28410777 
   
  
  
       6.74    6.79
       7.31    7.36
   
        909.17819521 
        909.15519377 
        909.17052806 
   
  
  
       7.56    7.63
       8.13    8.21
   
        897.90957437 
        897.95241625 
        897.92385500 
   
  
  
       6.67    6.72
       7.23    7.29
   
        920.98708038 
        920.97398878 
        920.98271651 
   
  
  
       6.93    6.99
       7.50    7.57
   
        919.59771024 
        919.58964672 
        919.59502240 
   
  
  
       7.92    7.99
       8.50    8.56
   
        923.16558779 
        923.18097414 
        923.17071657 
   
  
  
       7.23    7.28
       7.80    7.86
   
        923.35951293 
        923.33077456 
        923.34993347 
   
  
  
       7.59    7.65
       8.17    8.23
   
        920.49115488 
        920.54095966 
        920.50775647 
   
  
  
       6.71    6.76
       7.31    7.36
   
        920.93917533 
        920.97554373 
        920.95129813 
   
  
  
       7.34    7.40
       7.99    8.06
   
        917.47836925 
        917.47682574 
        917.47785475 
   
  
  
       7.50    7.57
       8.15    8.21
   
        916.02018745 
        916.06316451 
        916.03451314 
   
  
  
       7.38    7.45
       7.99    8.07
   
        920.69619555 
        920.67310365 
        920.68849825 
   
  
  
       6.14    6.21
       6.71    6.78
   
        925.33226771 
        925.32083184 
        925.32845575 
   
  
  
       6.37    6.42
       6.93    6.99
   
        933.73801590 
        933.71714965 
        933.73106048 
   
  
  
       7.93    7.98
       8.51    8.56
   
        933.45915449 
        933.43809330 
        933.45213409 
   
  
  
       6.91    6.96
       7.47    7.52
   
        938.26915108 
        938.27022822 
        938.26951013 
   
  
  
       7.43    7.50
       7.99    8.07
   
        939.03046766 
        939.02239682 
        939.02777738 
   
  
  
       7.04    7.11
       7.61    7.69
   
        940.86164755 
        940.86326349 
        940.86218620 
   
  
  
       6.10    6.16
       6.66    6.73
   
        942.88385806 
        942.90893275 
        942.89221629 
   
  
  
       6.44    6.50
       7.02    7.09
   
        942.68569061 
        942.68519911 
        942.68552677 
   
  
  
       6.16    6.21
       6.73    6.79
   
        943.08653521 
        943.08487131 
        943.08598058 
   
  
  
       5.78    5.84
       6.35    6.41
   
        945.65490676 
        945.64815337 
        945.65265563 
   
  
  
       6.81    6.88
       7.44    7.52
   
        944.96029621 
        944.95476005 
        944.95845083 
   
  
  
       7.00    7.07
       7.62    7.69
   
        945.21129397 
        945.20838576 
        945.21032456 
   
  
  
       7.59    7.64
       8.20    8.26
   
        945.17902228 
        945.17558441 
        945.17787632 
   
  
  
       6.79    6.86
       7.38    7.45
   
        945.82201795 
        945.81753230 
        945.82052274 
   
  
  
       6.83    6.88
       7.44    7.49
   
        945.82506738 
        945.81035587 
        945.82016354 
   
  
  
       6.36    6.41
       6.96    7.02
   
        944.16263871 
        944.17195392 
        944.16574378 
   
  
  
       6.80    6.85
       7.41    7.47
   
        947.11316249 
        947.11434806 
        947.11355768 
   
  
  
       7.76    7.81
       8.39    8.45
   
        951.16880772 
        951.17803329 
        951.17188291 
   
  
  
       6.41    6.48
       7.07    7.14
   
        944.52004639 
        944.53518185 
        944.52509154 
   
  
  
       7.04    7.10
       7.69    7.75
   
        941.59563081 
        941.61745750 
        941.60290637 
   
  
  
       6.27    6.32
       6.90    6.96
   
        940.60331793 
        940.61222185 
        940.60628591 
   
  
  
       4.96    5.03
       5.56    5.64
   
        937.40648179 
        937.41209050 
        937.40835136 
   
  
  
       5.29    5.35
       5.93    5.99
   
        936.57633047 
        936.57917617 
        936.57727904 
   
  
  
       5.22    5.27
       5.81    5.87
   
        937.13486221 
        937.13716794 
        937.13563079 
   
  
  
       5.04    5.09
       5.63    5.69
   
        939.55274394 
        939.54834397 
        939.55127729 
   
  
  
       5.54    5.62
       6.14    6.22
   
        938.49365292 
        938.46382788 
        938.48371124 
   
  
  
       4.43    4.49
       5.03    5.09
   
        937.90872296 
        937.89085774 
        937.90276789 
   
  
  
       4.95    5.00
       5.56    5.62
   
        936.19978794 
        936.19325920 
        936.19761169 
   
  
  
       3.42    3.48
       4.06    4.12
   
        936.35053440 
        936.34665410 
        936.34924096 
   
  
  
       3.77    3.83
       4.41    4.47
   
        936.68279783 
        936.67142150 
        936.67900572 
   
  
  
       3.42    3.47
       4.01    4.06
   
        937.79982636 
        937.78799475 
        937.79588249 
   
  
  
       2.83    2.88
       3.42    3.47
   
        953.06166275 
        953.03955847 
        953.05429466 
   
  
  
       3.12    3.17
       3.70    3.76
   
        956.79503325 
        956.79721409 
        956.79576019 
   
  
  
       2.02    2.07
       2.61    2.67
   
       1050.50546488 
       1050.48145303 
       1050.49746093 
   
  
  
       2.09    2.15
       2.68    2.74
   
       1044.71997783 
       1044.71647150 
       1044.71880905 
   
  
  
       2.29    2.33
       2.83    2.87
   
       1046.11826614 
       1046.11344932 
       1046.11666053 
   
  
  
       2.29    2.34
       2.83    2.87
   
       1043.96447626 
       1043.95984835 
       1043.96293362 
   
  
  
       1.82    1.87
       2.35    2.40
   
       1040.81080214 
       1040.79789318 
       1040.80649915