vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  11:43:30 
 
 
  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 
    
   
   
           0.96808280       0.39087043       0.99715988 
           0.28583503       0.78757005       0.94832716 
           0.85843005       0.94356757       0.12010681 
           0.83558302       0.76944030       0.50899010 
           0.07635798       0.73232268       0.35312736 
           0.52116302       0.70816787       0.88443985 
           0.14934509       0.76955626       0.13326411 
           0.94669494       0.67453057       0.12244801 
           0.78931540       0.21000739       0.07013969 
           0.88423303       0.86828347       0.13652419 
           0.58311591       0.65162094       0.61972766 
           0.53682314       0.10083623       0.21440661 
           0.32939533       0.24324528       0.72112251 
           0.23851770       0.25868073       0.72177058 
           0.78427875       0.42661687       0.57737790 
           0.14699195       0.79874737       0.17484886 
           0.36832921       0.68702153       0.88233421 
           0.44148242       0.72603637       0.75945158 
           0.13049221       0.54388137       0.58005412 
           0.92933639       0.59862428       0.44607829 
           0.60016743       0.91193792       0.18241634 
           0.53315596       0.19103747       0.06659954 
           0.13305107       0.93484839       0.97755155 
           0.83805852       0.29621245       0.97191691 
           0.15114843       0.62713550       0.63390187 
           0.13608067       0.76888116       0.15535462 
           0.19585212       0.61148368       0.62343258 
           0.13505907       0.10099182       0.32255973 
           0.74212349       0.49245443       0.17689107 
           0.95565273       0.18762043       0.39736254 
           0.77070428       0.88615555       0.31064007 
           0.01341610       0.56698720       0.55755580 
           0.99898150       0.55549665       0.29269348 
           0.84562452       0.40850320       0.86973141 
           0.99008450       0.33018384       0.16354606 
   
  
  
           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 
   
  
  
          0.96808280       0.39087043       0.99715988 
          0.28583503       0.78757005       0.94832716 
          0.85843005       0.94356757       0.12010681 
          0.83558302       0.76944030       0.50899010 
          0.07635798       0.73232268       0.35312736 
          0.52116302       0.70816787       0.88443985 
          0.14934509       0.76955626       0.13326411 
          0.94669494       0.67453057       0.12244801 
          0.78931540       0.21000739       0.07013969 
          0.88423303       0.86828347       0.13652419 
          0.58311591       0.65162094       0.61972766 
          0.53682314       0.10083623       0.21440661 
          0.32939533       0.24324528       0.72112251 
          0.23851770       0.25868073       0.72177058 
          0.78427875       0.42661687       0.57737790 
          0.14699195       0.79874737       0.17484886 
          0.36832921       0.68702153       0.88233421 
          0.44148242       0.72603637       0.75945158 
          0.13049221       0.54388137       0.58005412 
          0.92933639       0.59862428       0.44607829 
          0.60016743       0.91193792       0.18241634 
          0.53315596       0.19103747       0.06659954 
          0.13305107       0.93484839       0.97755155 
          0.83805852       0.29621245       0.97191691 
          0.15114843       0.62713550       0.63390187 
          0.13608067       0.76888116       0.15535462 
          0.19585212       0.61148368       0.62343258 
          0.13505907       0.10099182       0.32255973 
          0.74212349       0.49245443       0.17689107 
          0.95565273       0.18762043       0.39736254 
          0.77070428       0.88615555       0.31064007 
          0.01341610       0.56698720       0.55755580 
          0.99898150       0.55549665       0.29269348 
          0.84562452       0.40850320       0.86973141 
          0.99008450       0.33018384       0.16354606 
  
 
 
  
       5.98    6.04
       6.53    6.59
   
         24.76344702 
       1961.81724724 
      -3494.29539297 
       -291.29182788 
       3170.77583059 
      -2609.60722799 
          0.00476354 
        -65.31264270 
       3755.32434067 
       2452.17853754 
       2452.17377400 
       2452.17694969 
   
  
  
       7.06    7.11
       7.06    7.11
   
       1597.29302260 
       1597.27778510 
       1597.28794344 
   
  
  
       7.48    7.54
       7.48    7.54
   
       1304.79493811 
       1304.78662227 
       1304.79216616 
   
  
  
       6.27    6.32
       6.27    6.33
   
       1198.14693531 
       1198.13536509 
       1198.14307857 
   
  
  
       6.14    6.19
       6.26    6.31
   
       1149.63114960 
       1149.62019427 
       1149.62749782 
   
  
  
       5.44    5.50
       5.99    6.06
   
       1324.82108791 
       1324.84960620 
       1324.83059401 
   
  
  
       6.02    6.08
       6.59    6.65
   
       1310.90939635 
       1310.92368956 
       1310.91416075 
   
  
  
       5.48    5.54
       6.04    6.10
   
       1318.59034005 
       1318.60978300 
       1318.59682103 
   
  
  
       5.70    5.76
       6.26    6.32
   
       1319.26237214 
       1319.27258988 
       1319.26577805 
   
  
  
       5.84    5.90
       6.41    6.47
   
       1312.80592732 
       1312.76413611 
       1312.79199691 
   
  
  
       5.95    6.01
       6.51    6.57
   
       1315.01416734 
       1315.00834668 
       1315.01222712 
   
  
  
       5.69    5.76
       6.24    6.32
   
       1315.65238075 
       1315.64996533 
       1315.65157561 
   
  
  
       5.68    5.74
       6.25    6.31
   
       1315.82725623 
       1315.79959319 
       1315.81803522 
   
  
  
       5.86    5.92
       6.43    6.48
   
       1316.14771961 
       1316.15662892 
       1316.15068938 
   
  
  
       5.76    5.82
       6.32    6.39
   
       1315.05422952 
       1315.06239484 
       1315.05695129 
   
  
  
       5.83    5.88
       6.39    6.45
   
       1312.50092075 
       1312.51057174 
       1312.50413774 
   
  
  
       5.61    5.67
       6.18    6.24
   
       1314.66678736 
       1314.66696867 
       1314.66684780 
   
  
  
       5.97    6.03
       6.58    6.64
   
       1315.24452044 
       1315.24707136 
       1315.24537075 
   
  
  
       5.79    5.86
       6.41    6.48
   
       1315.61600176 
       1315.62554751 
       1315.61918367 
   
  
  
       5.84    5.91
       6.41    6.48
   
       1315.61178049 
       1315.62369238 
       1315.61575112 
   
  
  
       5.76    5.81
       6.34    6.40
   
       1315.62151732 
       1315.63841440 
       1315.62714968 
   
  
  
       5.83    5.90
       6.39    6.46
   
       1315.75540536 
       1315.76791215 
       1315.75957429 
   
  
  
       5.90    5.97
       6.48    6.55
   
       1315.69691650 
       1315.68431625 
       1315.69271641 
   
  
  
       5.88    5.94
       6.46    6.53
   
       1315.74340863 
       1315.72059978 
       1315.73580568 
   
  
  
       5.70    5.75
       6.28    6.34
   
       1315.78485333 
       1315.75931904 
       1315.77634190 
   
  
  
       5.75    5.82
       6.33    6.41
   
       1315.77187867 
       1315.74568450 
       1315.76314728 
   
  
  
       5.67    5.73
       6.25    6.32
   
       1315.72058399 
       1315.69180157 
       1315.71098985 
   
  
  
       5.81    5.86
       6.39    6.45
   
       1315.73647478 
       1315.70899161 
       1315.72731372 
   
  
  
       6.00    6.05
       6.58    6.64
   
       1315.77942323 
       1315.75299682 
       1315.77061443 
   
  
  
       5.69    5.76
       6.29    6.36
   
       1315.72145773 
       1315.69440294 
       1315.71243947 
   
  
  
       5.55    5.61
       6.14    6.20
   
       1315.69758346 
       1315.67121085 
       1315.68879259 
   
  
  
       5.75    5.81
       6.35    6.41
   
       1315.68951772 
       1315.66333659 
       1315.68079068 
   
  
  
       5.78    5.84
       6.38    6.43
   
       1315.67705182 
       1315.65190238 
       1315.66866867 
   
  
  
       5.88    5.93
       6.48    6.54
   
       1315.65999432 
       1315.63418244 
       1315.65139036 
   
  
  
       5.82    5.91
       6.42    6.51
   
       1315.66535696 
       1315.63938920 
       1315.65670104 
   
  
  
       5.81    5.87
       6.42    6.48
   
       1315.61399668 
       1315.59309218 
       1315.60702851 
   
  
  
       5.57    5.63
       6.17    6.23
   
       1315.56632294 
       1315.54678546 
       1315.55981044 
   
  
  
       5.86    5.93
       6.46    6.53
   
       1315.55187592 
       1315.52824709 
       1315.54399964 
   
  
  
       5.19    5.24
       5.78    5.84
   
       1315.53498466 
       1315.51012843 
       1315.52669925 
   
  
  
       4.38    4.48
       4.98    5.08
   
       1315.52470398 
       1315.49709120 
       1315.51549972 
   
  
  
       4.39    4.45
       5.00    5.06
   
       1315.52039591 
       1315.49063734 
       1315.51047639 
   
  
  
       4.35    4.41
       4.96    5.03
   
       1315.51598759 
       1315.48513138 
       1315.50570219 
   
  
  
       4.19    4.25
       4.79    4.85
   
       1315.51346830 
       1315.48255262 
       1315.50316307 
   
  
  
       4.33    4.39
       4.93    4.99
   
       1315.50926323 
       1315.47774776 
       1315.49875807 
   
  
  
       4.36    4.42
       4.98    5.04
   
       1315.50642774 
       1315.47298274 
       1315.49527941 
   
  
  
       4.22    4.27
       4.83    4.88
   
       1315.50265070 
       1315.46806978 
       1315.49112373 
   
  
  
       4.40    4.45
       5.01    5.06
   
       1315.49834138 
       1315.46438741 
       1315.48702339 
   
  
  
       4.35    4.41
       4.96    5.03
   
       1315.49544554 
       1315.46169151 
       1315.48419420 
   
  
  
       4.23    4.28
       4.84    4.90
   
       1315.49411674 
       1315.45963074 
       1315.48262140 
   
  
  
       4.23    4.29
       4.85    4.90
   
       1315.49303234 
       1315.45937982 
       1315.48181483 
   
  
  
       4.44    4.49
       5.05    5.11
   
       1315.49231957 
       1315.45783419 
       1315.48082445 
   
  
  
       4.40    4.47
       5.02    5.09
   
       1315.49181555 
       1315.45680575 
       1315.48014562 
   
  
  
       4.14    4.19
       4.74    4.80
   
       1315.49117011 
       1315.45615822 
       1315.47949948 
   
  
  
       4.22    4.27
       4.83    4.89
   
       1315.49040652 
       1315.45539976 
       1315.47873760 
   
  
  
       4.32    4.38
       4.94    5.00
   
       1315.48985527 
       1315.45491179 
       1315.47820744 
   
  
  
       4.36    4.41
       4.98    5.04
   
       1315.48952023 
       1315.45486524 
       1315.47796857 
   
  
  
       4.17    4.22
       4.76    4.83
   
       1315.48923967 
       1315.45479107 
       1315.47775680 
   
  
  
       4.39    4.44
       5.00    5.06
   
       1315.48899694 
       1315.45467501 
       1315.47755630 
   
  
  
       3.97    4.03
       4.61    4.67
   
       1315.48880289 
       1315.45453459 
       1315.47738012