vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  04:55:03 
 
 
  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 
    
   
   
           0.47135665       0.68899187       0.59005692 
           0.97256409       0.77049154       0.87654587 
           0.42812016       0.94849827       0.34156907 
           0.36507679       0.48056647       0.99257633 
           0.83229300       0.48189035       0.22038466 
           0.44942027       0.71801312       0.85700313 
           0.74650917       0.12415463       0.96254568 
           0.82954077       0.92676139       0.79870265 
           0.20863607       0.09485308       0.71532308 
           0.02653820       0.25315983       0.75014078 
           0.15063249       0.70869366       0.15157691 
           0.78725341       0.88003036       0.73085317 
           0.69449074       0.12960401       0.22948315 
           0.15107547       0.90110660       0.11787524 
           0.56172696       0.55823807       0.36087915 
           0.37221176       0.48967214       0.97476583 
           0.70042291       0.54817129       0.57030306 
           0.43900393       0.22732654       0.01074757 
           0.72621971       0.38636175       0.37683112 
           0.09137660       0.96455563       0.93029550 
           0.25373359       0.66772161       0.79001739 
           0.10444141       0.64378726       0.03514773 
           0.30509763       0.75164809       0.24906889 
           0.24873032       0.52912968       0.45369570 
           0.16466563       0.72211966       0.88288656 
           0.48402633       0.55907302       0.24526947 
           0.32529507       0.78888495       0.48969224 
           0.23259605       0.09251249       0.69357063 
           0.76550248       0.26521002       0.10764548 
           0.92302371       0.13253693       0.95384206 
           0.91724542       0.63505222       0.26376263 
           0.61097714       0.55412884       0.76731100 
           0.89316493       0.64800970       0.01446899 
           0.90813287       0.32944939       0.44584024 
           0.79915677       0.23386800       0.93175940 
   
  
  
           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 
   
  
  
          0.47135665       0.68899187       0.59005692 
          0.97256409       0.77049154       0.87654587 
          0.42812016       0.94849827       0.34156907 
          0.36507679       0.48056647       0.99257633 
          0.83229300       0.48189035       0.22038466 
          0.44942027       0.71801312       0.85700313 
          0.74650917       0.12415463       0.96254568 
          0.82954077       0.92676139       0.79870265 
          0.20863607       0.09485308       0.71532308 
          0.02653820       0.25315983       0.75014078 
          0.15063249       0.70869366       0.15157691 
          0.78725341       0.88003036       0.73085317 
          0.69449074       0.12960401       0.22948315 
          0.15107547       0.90110660       0.11787524 
          0.56172696       0.55823807       0.36087915 
          0.37221176       0.48967214       0.97476583 
          0.70042291       0.54817129       0.57030306 
          0.43900393       0.22732654       0.01074757 
          0.72621971       0.38636175       0.37683112 
          0.09137660       0.96455563       0.93029550 
          0.25373359       0.66772161       0.79001739 
          0.10444141       0.64378726       0.03514773 
          0.30509763       0.75164809       0.24906889 
          0.24873032       0.52912968       0.45369570 
          0.16466563       0.72211966       0.88288656 
          0.48402633       0.55907302       0.24526947 
          0.32529507       0.78888495       0.48969224 
          0.23259605       0.09251249       0.69357063 
          0.76550248       0.26521002       0.10764548 
          0.92302371       0.13253693       0.95384206 
          0.91724542       0.63505222       0.26376263 
          0.61097714       0.55412884       0.76731100 
          0.89316493       0.64800970       0.01446899 
          0.90813287       0.32944939       0.44584024 
          0.79915677       0.23386800       0.93175940 
  
 
 
  
       5.98    6.06
       6.50    6.58
   
         24.76344702 
        602.46973278 
      -2608.41519542 
       -299.40487042 
       3170.77583059 
      -2609.60722799 
         -0.00889237 
       -147.59558199 
       3755.32434067 
       1888.30158287 
       1888.31047524 
       1888.30454700 
   
  
  
       7.66    7.73
       7.66    7.73
   
       1243.53084548 
       1243.51095041 
       1243.52421379 
   
  
  
       8.61    8.69
       8.62    8.69
   
       1081.68494566 
       1081.67855691 
       1081.68281608 
   
  
  
       8.70    8.75
       8.70    8.75
   
       1035.43868860 
       1035.47173680 
       1035.44970467 
   
  
  
       7.13    7.18
       7.24    7.31
   
       1032.20848881 
       1032.24092047 
       1032.21929937 
   
  
  
       8.34    8.40
       8.90    8.96
   
        981.29869726 
        981.29971839 
        981.29903764 
   
  
  
       7.67    7.72
       8.24    8.30
   
       1144.38687600 
       1144.39814432 
       1144.39063210 
   
  
  
       7.70    7.76
       8.27    8.34
   
       1144.97039095 
       1144.99499005 
       1144.97859065 
   
  
  
       8.65    8.70
       9.22    9.28
   
       1143.73906413 
       1143.75056914 
       1143.74289913 
   
  
  
       9.40    9.47
       9.97   10.04
   
       1144.66373135 
       1144.66378015 
       1144.66374761 
   
  
  
       7.78    7.85
       8.35    8.42
   
       1144.43502322 
       1144.43499602 
       1144.43501416 
   
  
  
       8.17    8.23
       8.75    8.81
   
       1143.18731986 
       1143.10518191 
       1143.15994054 
   
  
  
       6.61    6.67
       7.18    7.24
   
       1143.22332018 
       1143.13605422 
       1143.19423153 
   
  
  
       8.12    8.20
       8.70    8.78
   
       1141.89465268 
       1141.80878460 
       1141.86602999 
   
  
  
       6.47    6.53
       7.04    7.10
   
       1141.82251442 
       1141.73818381 
       1141.79440422 
   
  
  
       8.35    8.41
       8.92    8.98
   
       1141.78693354 
       1141.70177193 
       1141.75854633 
   
  
  
       6.78    6.84
       7.36    7.43
   
       1141.73098455 
       1141.64436226 
       1141.70211046 
   
  
  
       7.40    7.46
       7.96    8.03
   
       1141.07218233 
       1141.01965722 
       1141.05467396 
   
  
  
       7.22    7.27
       7.80    7.86
   
       1145.00950910 
       1145.03117254 
       1145.01673025 
   
  
  
       7.63    7.69
       8.25    8.31
   
       1145.62415171 
       1145.66933960 
       1145.63921434 
   
  
  
       6.84    6.91
       7.46    7.53
   
       1145.46673020 
       1145.48795300 
       1145.47380447 
   
  
  
       7.53    7.58
       8.10    8.16
   
       1144.95466454 
       1144.92405258 
       1144.94446055 
   
  
  
       7.55    7.61
       8.13    8.19
   
       1137.08237137 
       1137.10386539 
       1137.08953604 
   
  
  
       7.42    7.47
       8.00    8.06
   
       1135.15246044 
       1135.18767444 
       1135.16419844 
   
  
  
       7.38    7.45
       7.96    8.03
   
       1134.27343194 
       1134.30970021 
       1134.28552136 
   
  
  
       7.28    7.34
       7.88    7.95
   
       1140.16866649 
       1140.16016427 
       1140.16583242 
   
  
  
       8.13    8.19
       8.76    8.82
   
       1150.37581638 
       1150.37104719 
       1150.37422665 
   
  
  
       7.56    7.62
       8.14    8.20
   
       1156.56800716 
       1156.59072542 
       1156.57557992 
   
  
  
       7.53    7.59
       8.11    8.17
   
       1158.46070918 
       1158.49143547 
       1158.47095127 
   
  
  
       5.39    5.46
       6.03    6.10
   
       1160.31931153 
       1160.34871770 
       1160.32911358 
   
  
  
       5.13    5.19
       5.70    5.77
   
       1159.08031666 
       1159.11070339 
       1159.09044557 
   
  
  
       5.56    5.62
       6.13    6.20
   
       1162.62798269 
       1162.63535747 
       1162.63044095 
   
  
  
       5.24    5.29
       5.85    5.91
   
       1164.41069925 
       1164.40117420 
       1164.40752424 
   
  
  
       4.45    4.51
       5.02    5.09
   
       1163.86988685 
       1163.87245818 
       1163.87074396 
   
  
  
       3.17    3.23
       3.77    3.83
   
       1162.33469398 
       1162.33683074 
       1162.33540623 
   
  
  
       3.45    3.53
       4.07    4.15
   
       1163.35366258 
       1163.35736044 
       1163.35489520 
   
  
  
       3.37    3.43
       3.94    4.00
   
       1162.96679719 
       1162.97154781 
       1162.96838073 
   
  
  
       2.94    2.99
       3.50    3.56
   
       1166.28278803 
       1166.28703562 
       1166.28420389 
   
  
  
       3.13    3.18
       3.69    3.74
   
       1169.14009854 
       1169.16313344 
       1169.14777684 
   
  
  
       3.84    3.90
       4.42    4.48
   
       1168.82912819 
       1168.86166528 
       1168.83997389 
   
  
  
       4.10    4.15
       4.67    4.72
   
       1168.14369442 
       1168.17655267 
       1168.15464717 
   
  
  
       4.30    4.35
       4.88    4.93
   
       1168.20899578 
       1168.24152463 
       1168.21983873 
   
  
  
       3.50    3.55
       4.08    4.14
   
       1169.65278490 
       1169.67813915 
       1169.66123631 
   
  
  
       3.29    3.34
       3.86    3.92
   
       1174.03089792 
       1174.03971518 
       1174.03383701 
   
  
  
       3.30    3.35
       3.88    3.94
   
       1182.08341894 
       1182.09272771 
       1182.08652186 
   
  
  
       3.92    3.98
       4.51    4.57
   
       1178.75636261 
       1178.76796311 
       1178.76022944 
   
  
  
       3.44    3.50
       4.03    4.09
   
       1179.97729408 
       1179.98907934 
       1179.98122250 
   
  
  
       3.67    3.72
       4.26    4.31
   
       1178.94311306 
       1178.96540907 
       1178.95054506 
   
  
  
       3.38    3.43
       3.97    4.02
   
       1179.96662630 
       1179.99706428 
       1179.97677229 
   
  
  
       3.60    3.66
       4.20    4.25
   
       1178.51509220 
       1178.55190571 
       1178.52736337 
   
  
  
       3.95    4.01
       4.54    4.59
   
       1243.40131577 
       1243.38207634 
       1243.39490262 
   
  
  
       3.97    4.03
       4.56    4.62
   
       1237.93207797 
       1237.94027233 
       1237.93480942 
   
  
  
       4.08    4.13
       4.68    4.73
   
       1229.24566529 
       1229.25199366 
       1229.24777475 
   
  
  
       4.17    4.22
       4.76    4.81
   
       1225.41209787 
       1225.39977939 
       1225.40799171 
   
  
  
       3.84    3.90
       4.42    4.48
   
       1224.34807935 
       1224.35479825 
       1224.35031898 
   
  
  
       3.73    3.79
       4.32    4.37
   
       1199.65407223 
       1199.65091140 
       1199.65301862 
   
  
  
       3.41    3.47
       4.00    4.06
   
       1232.70741773 
       1232.73097713 
       1232.71527086 
   
  
  
       2.87    2.92
       3.46    3.51
   
       1272.12595241 
       1272.12317519 
       1272.12502667 
   
  
  
       3.32    3.38
       3.91    3.97
   
       1276.21524619 
       1276.25965774 
       1276.23005004 
   
  
  
       3.57    3.62
       4.16    4.22
   
       1265.95255330 
       1265.96729946 
       1265.95746869