vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  15:04:52 
 
 
  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 
    
   
   
           0.90605101       0.65479723       0.30989369 
           0.39739086       0.07775367       0.80968230 
           0.64601335       0.09042851       0.43141814 
           0.23255865       0.95428871       0.20809438 
           0.54845364       0.79543508       0.78921126 
           0.68201959       0.89755062       0.51231092 
           0.24728790       0.84043472       0.22793607 
           0.95710606       0.97154712       0.44382512 
           0.80072093       0.12588645       0.37801190 
           0.24593185       0.68842587       0.46858847 
           0.20821228       0.61168839       0.66206884 
           0.44421571       0.81241703       0.19184529 
           0.64386295       0.08477147       0.44151182 
           0.95354022       0.55309344       0.60497430 
           0.27433512       0.71302258       0.35674473 
           0.33214537       0.01280256       0.99958057 
           0.59948889       0.30002464       0.72098473 
           0.80887444       0.98843048       0.79261707 
           0.81929538       0.28123416       0.22685101 
           0.53782676       0.58085901       0.36751840 
           0.11607114       0.14180192       0.88289865 
           0.09435458       0.69593658       0.27854460 
           0.15857111       0.34657089       0.01436318 
           0.31882982       0.65832302       0.26441546 
           0.42622904       0.38942759       0.98451085 
           0.90109456       0.38195616       0.84161827 
           0.80550249       0.55675840       0.00081798 
           0.19999588       0.55692224       0.36168075 
           0.44921872       0.14442718       0.70089398 
           0.98622076       0.74860468       0.75053503 
           0.18706009       0.17713249       0.47865753 
           0.28046398       0.83225379       0.34219849 
           0.81216631       0.54714255       0.17426878 
           0.29571809       0.08886506       0.00672976 
           0.96321870       0.51886113       0.53643819 
   
  
  
           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 
   
  
  
          0.90605101       0.65479723       0.30989369 
          0.39739086       0.07775367       0.80968230 
          0.64601335       0.09042851       0.43141814 
          0.23255865       0.95428871       0.20809438 
          0.54845364       0.79543508       0.78921126 
          0.68201959       0.89755062       0.51231092 
          0.24728790       0.84043472       0.22793607 
          0.95710606       0.97154712       0.44382512 
          0.80072093       0.12588645       0.37801190 
          0.24593185       0.68842587       0.46858847 
          0.20821228       0.61168839       0.66206884 
          0.44421571       0.81241703       0.19184529 
          0.64386295       0.08477147       0.44151182 
          0.95354022       0.55309344       0.60497430 
          0.27433512       0.71302258       0.35674473 
          0.33214537       0.01280256       0.99958057 
          0.59948889       0.30002464       0.72098473 
          0.80887444       0.98843048       0.79261707 
          0.81929538       0.28123416       0.22685101 
          0.53782676       0.58085901       0.36751840 
          0.11607114       0.14180192       0.88289865 
          0.09435458       0.69593658       0.27854460 
          0.15857111       0.34657089       0.01436318 
          0.31882982       0.65832302       0.26441546 
          0.42622904       0.38942759       0.98451085 
          0.90109456       0.38195616       0.84161827 
          0.80550249       0.55675840       0.00081798 
          0.19999588       0.55692224       0.36168075 
          0.44921872       0.14442718       0.70089398 
          0.98622076       0.74860468       0.75053503 
          0.18706009       0.17713249       0.47865753 
          0.28046398       0.83225379       0.34219849 
          0.81216631       0.54714255       0.17426878 
          0.29571809       0.08886506       0.00672976 
          0.96321870       0.51886113       0.53643819 
  
 
 
  
       5.61    5.68
       6.13    6.20
   
         24.76344702 
        158.54999779 
      -2077.31195436 
       -294.19738894 
       3170.77583059 
      -2609.60722799 
         -0.01571467 
       -177.34524701 
       3755.32434067 
       1950.93608311 
       1950.95179778 
       1950.94132133 
   
  
  
       7.79    7.87
       7.79    7.87
   
       1283.70280419 
       1283.69205641 
       1283.69922160 
   
  
  
      10.03   10.09
      10.03   10.09
   
       1099.01216143 
       1099.00563548 
       1099.00998611 
   
  
  
       7.68    7.74
       7.68    7.74
   
       1074.80517612 
       1074.78389129 
       1074.79808118 
   
  
  
       8.04    8.09
       8.14    8.20
   
       1074.12503617 
       1074.10294022 
       1074.11767085 
   
  
  
       8.32    8.37
       8.90    8.96
   
       1153.74170075 
       1153.76856742 
       1153.75065630 
   
  
  
       7.88    7.95
       8.50    8.57
   
       1196.08924679 
       1196.07729220 
       1196.08526193 
   
  
  
       7.50    7.56
       8.12    8.19
   
       1212.79624364 
       1212.82245869 
       1212.80498199 
   
  
  
       7.39    7.47
       7.95    8.04
   
       1210.10201839 
       1210.13081811 
       1210.11161830 
   
  
  
       7.51    7.57
       8.08    8.14
   
       1210.05137553 
       1210.06563540 
       1210.05612882 
   
  
  
       8.14    8.20
       8.71    8.77
   
       1210.54098940 
       1210.54371510 
       1210.54189797 
   
  
  
       7.80    7.87
       8.40    8.47
   
       1210.51045621 
       1210.51181491 
       1210.51090911 
   
  
  
       8.33    8.39
       8.91    8.98
   
       1209.40112825 
       1209.41910672 
       1209.40712108 
   
  
  
       8.00    8.06
       8.60    8.66
   
       1207.33372713 
       1207.28096762 
       1207.31614063 
   
  
  
       7.05    7.11
       7.64    7.70
   
       1207.45873920 
       1207.40790670 
       1207.44179504 
   
  
  
       8.75    8.81
       9.32    9.38
   
       1205.97217969 
       1205.91942209 
       1205.95459383 
   
  
  
       8.40    8.46
       8.97    9.04
   
       1198.64055926 
       1198.58698536 
       1198.62270130 
   
  
  
       7.84    7.90
       8.44    8.50
   
       1196.43237812 
       1196.44135415 
       1196.43537013 
   
  
  
       7.79    7.85
       8.39    8.45
   
       1211.22923720 
       1211.22185428 
       1211.22677622 
   
  
  
       8.09    8.15
       8.67    8.73
   
       1212.71834460 
       1212.72848319 
       1212.72172413 
   
  
  
       8.82    8.89
       9.42    9.50
   
       1212.64871672 
       1212.65261627 
       1212.65001657 
   
  
  
       7.58    7.63
       8.14    8.20
   
       1212.12596995 
       1212.12205587 
       1212.12466525 
   
  
  
       7.85    7.92
       8.44    8.51
   
       1213.12327649 
       1213.13610781 
       1213.12755360 
   
  
  
       7.53    7.59
       8.12    8.18
   
       1213.30727154 
       1213.31691435 
       1213.31048581 
   
  
  
       7.84    7.90
       8.43    8.49
   
       1213.57908396 
       1213.59016221 
       1213.58277671 
   
  
  
       8.03    8.09
       8.62    8.69
   
       1214.79840020 
       1214.78574028 
       1214.79418023 
   
  
  
       6.85    6.90
       7.43    7.49
   
       1214.48988547 
       1214.47643335 
       1214.48540143 
   
  
  
       8.20    8.28
       8.79    8.87
   
       1214.41509913 
       1214.40265808 
       1214.41095211 
   
  
  
       8.09    8.14
       8.69    8.75
   
       1214.18592578 
       1214.17595657 
       1214.18260271 
   
  
  
       7.86    7.92
       8.46    8.52
   
       1214.16187298 
       1214.15221935 
       1214.15865510 
   
  
  
       7.67    7.72
       8.27    8.33
   
       1214.08002137 
       1214.06376240 
       1214.07460172 
   
  
  
       7.86    7.92
       8.46    8.53
   
       1215.09839056 
       1215.08477192 
       1215.09385101 
   
  
  
       7.24    7.31
       7.84    7.90
   
       1214.69173718 
       1214.68631711 
       1214.68993049 
   
  
  
       8.05    8.11
       8.65    8.71
   
       1214.71842855 
       1214.71420883 
       1214.71702197 
   
  
  
       7.86    7.92
       8.48    8.55
   
       1214.84722267 
       1214.84726119 
       1214.84723551 
   
  
  
       7.71    7.79
       8.32    8.39
   
       1215.04230884 
       1215.02655184 
       1215.03705651 
   
  
  
       7.05    7.11
       7.68    7.74
   
       1214.96466478 
       1214.95095493 
       1214.96009483 
   
  
  
       7.87    7.93
       8.47    8.54
   
       1214.96360702 
       1214.94988112 
       1214.95903172 
   
  
  
       7.76    7.81
       8.36    8.42
   
       1215.12806823 
       1215.11212604 
       1215.12275417 
   
  
  
       7.62    7.69
       8.27    8.34
   
       1215.47091407 
       1215.44691589 
       1215.46291467 
   
  
  
       8.01    8.07
       8.68    8.74
   
       1215.74090212 
       1215.70983377 
       1215.73054600 
   
  
  
       7.65    7.72
       8.27    8.35
   
       1216.13543530 
       1216.10209692 
       1216.12432251 
   
  
  
       7.71    7.77
       8.34    8.41
   
       1216.10494356 
       1216.07329271 
       1216.09439328 
   
  
  
       8.71    8.77
       9.36    9.42
   
       1216.10829558 
       1216.07637289 
       1216.09765468 
   
  
  
       7.29    7.36
       7.92    7.99
   
       1216.26875385 
       1216.23827209 
       1216.25859326 
   
  
  
       7.48    7.54
       8.11    8.17
   
       1216.35193451 
       1216.31212186 
       1216.33866363 
   
  
  
       7.29    7.37
       7.91    8.00
   
       1216.32920803 
       1216.29632850 
       1216.31824818 
   
  
  
       6.79    6.84
       7.42    7.48
   
       1216.47503829 
       1216.43528080 
       1216.46178579 
   
  
  
       6.85    6.92
       7.49    7.56
   
       1216.98342004 
       1216.93573876 
       1216.96752628 
   
  
  
       8.26    8.31
       8.88    8.94
   
       1217.42958488 
       1217.38024893 
       1217.41313956 
   
  
  
       6.19    6.28
       6.81    6.89
   
       1255.08773379 
       1255.08089687 
       1255.08545481 
   
  
  
       7.67    7.72
       8.28    8.33
   
       1265.04654593 
       1265.03273086 
       1265.04194091 
   
  
  
       7.96    8.02
       8.58    8.64
   
       1262.41504627 
       1262.40064944 
       1262.41024733 
   
  
  
       8.59    8.67
       9.22    9.30
   
       1262.41377827 
       1262.39940135 
       1262.40898597 
   
  
  
       6.84    6.89
       7.50    7.56
   
       1262.48937970 
       1262.46001648 
       1262.47959196 
   
  
  
       6.38    6.44
       7.04    7.10
   
       1287.72584940 
       1287.73933301 
       1287.73034394 
   
  
  
       7.02    7.08
       7.79    7.86
   
       1302.61872901 
       1302.61523824 
       1302.61756542 
   
  
  
       6.82    6.88
       7.54    7.61
   
       1324.06628742 
       1324.09576504 
       1324.07611329 
   
  
  
       8.23    8.29
       8.91    8.98
   
       1324.37214102 
       1324.39718369 
       1324.38048858 
   
  
  
       6.17    6.24
       6.79    6.87
   
       1355.31616633 
       1355.33612977 
       1355.32282081 
   
  
  
       5.92    6.00
       6.55    6.63
   
       1353.49285417 
       1353.51447526 
       1353.50006120 
   
  
  
       7.51    7.57
       8.16    8.23
   
       1369.89529671 
       1369.91636055 
       1369.90231799 
   
  
  
       7.93    7.98
       8.58    8.64
   
       1371.33094241 
       1371.35295138 
       1371.33827873 
   
  
  
       6.31    6.36
       6.95    7.01
   
       1377.08317917 
       1377.10172895 
       1377.08936243 
   
  
  
       4.77    4.87
       5.45    5.55
   
       1437.63797300 
       1437.65087164 
       1437.64227255 
   
  
  
       4.73    4.80
       5.34    5.41
   
       1317.03189002 
       1317.03794109 
       1317.03390705 
   
  
  
       5.45    5.51
       6.07    6.13
   
       1311.58243508 
       1311.57902083 
       1311.58129700 
   
  
  
       4.92    4.98
       5.55    5.60
   
       1325.68172676 
       1325.66435809 
       1325.67593720 
   
  
  
       5.77    5.83
       6.39    6.45
   
       1319.27777695 
       1319.26836186 
       1319.27463859 
   
  
  
       5.85    5.90
       6.47    6.53
   
       1314.24810486 
       1314.21140423 
       1314.23587131 
   
  
  
       5.43    5.48
       6.04    6.10
   
       1293.73763389 
       1293.70433509 
       1293.72653429 
   
  
  
       5.83    5.89
       6.45    6.51
   
       1291.27002338 
       1291.26267615 
       1291.26757430