vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  17:13:34 
 
 
  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 
    
   
   
           0.00931040       0.09088675       0.50470238 
           0.93523402       0.15222317       0.57646699 
           0.98236047       0.96355175       0.76517984 
           0.12367571       0.71144642       0.54046659 
           0.96226988       0.50262246       0.68487809 
           0.19338672       0.88430475       0.68807132 
           0.01069821       0.25576336       0.53635184 
           0.95987966       0.02583208       0.75126195 
           0.19116821       0.95775121       0.61177894 
           0.54562868       0.69667455       0.58024810 
           0.60358136       0.70957305       0.15797754 
           0.65396907       0.08643056       0.60687845 
           0.54503209       0.87369505       0.78684465 
           0.04270705       0.89258561       0.06837350 
           0.03714222       0.56956384       0.84888127 
           0.03180475       0.42259235       0.39589523 
           0.78356415       0.79480036       0.11244789 
           0.78797033       0.25156532       0.60805680 
           0.46014020       0.71443335       0.45995458 
           0.64489538       0.89381069       0.50572556 
           0.11476142       0.71684539       0.55965663 
           0.82664143       0.23340134       0.16139527 
           0.31896550       0.34094982       0.79081964 
           0.12530139       0.35017621       0.86307307 
           0.01818929       0.23502788       0.83659547 
           0.75163983       0.32991453       0.90066457 
           0.75407110       0.20856031       0.35524686 
           0.07553169       0.72989715       0.60715324 
           0.13957525       0.61924914       0.99094733 
           0.77205839       0.64159862       0.63360162 
           0.70796573       0.15895912       0.91981483 
           0.98753069       0.36019114       0.82407671 
           0.03944685       0.55697702       0.92852251 
           0.56604751       0.65659399       0.28833356 
           0.01801915       0.33243374       0.07123783 
   
  
  
           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 
   
  
  
          0.00931040       0.09088675       0.50470238 
          0.93523402       0.15222317       0.57646699 
          0.98236047       0.96355175       0.76517984 
          0.12367571       0.71144642       0.54046659 
          0.96226988       0.50262246       0.68487809 
          0.19338672       0.88430475       0.68807132 
          0.01069821       0.25576336       0.53635184 
          0.95987966       0.02583208       0.75126195 
          0.19116821       0.95775121       0.61177894 
          0.54562868       0.69667455       0.58024810 
          0.60358136       0.70957305       0.15797754 
          0.65396907       0.08643056       0.60687845 
          0.54503209       0.87369505       0.78684465 
          0.04270705       0.89258561       0.06837350 
          0.03714222       0.56956384       0.84888127 
          0.03180475       0.42259235       0.39589523 
          0.78356415       0.79480036       0.11244789 
          0.78797033       0.25156532       0.60805680 
          0.46014020       0.71443335       0.45995458 
          0.64489538       0.89381069       0.50572556 
          0.11476142       0.71684539       0.55965663 
          0.82664143       0.23340134       0.16139527 
          0.31896550       0.34094982       0.79081964 
          0.12530139       0.35017621       0.86307307 
          0.01818929       0.23502788       0.83659547 
          0.75163983       0.32991453       0.90066457 
          0.75407110       0.20856031       0.35524686 
          0.07553169       0.72989715       0.60715324 
          0.13957525       0.61924914       0.99094733 
          0.77205839       0.64159862       0.63360162 
          0.70796573       0.15895912       0.91981483 
          0.98753069       0.36019114       0.82407671 
          0.03944685       0.55697702       0.92852251 
          0.56604751       0.65659399       0.28833356 
          0.01801915       0.33243374       0.07123783 
  
 
 
  
       5.93    5.98
       6.41    6.46
   
         24.76344702 
        335.38348897 
      -2355.14624455 
       -291.13655679 
       3170.77583059 
      -2609.60722799 
         -0.00197288 
       -206.84223972 
       3755.32434067 
       1823.51286532 
       1823.51483820 
       1823.51352295 
   
  
  
       8.34    8.40
       8.34    8.40
   
       1037.97590080 
       1037.98803063 
       1037.97994408 
   
  
  
       8.45    8.51
       8.45    8.51
   
        797.44019220 
        797.43863477 
        797.43967306 
   
  
  
       6.69    6.75
       6.70    6.75
   
        753.61149647 
        753.59015054 
        753.60438116 
   
  
  
       6.70    6.78
       6.82    6.90
   
        744.80117135 
        744.78437129 
        744.79557133 
   
  
  
       6.97    7.04
       7.53    7.60
   
        916.49523689 
        916.51318058 
        916.50121812 
   
  
  
       6.82    6.88
       7.37    7.44
   
        911.62946506 
        911.61605527 
        911.62499513 
   
  
  
       7.37    7.43
       7.94    8.00
   
        905.25733019 
        905.30280888 
        905.27248975 
   
  
  
       6.66    6.71
       7.21    7.27
   
        923.81140519 
        923.79829022 
        923.80703353 
   
  
  
       7.01    7.07
       7.56    7.63
   
        922.46824604 
        922.45243601 
        922.46297603 
   
  
  
       7.92    7.99
       8.48    8.56
   
        924.92409276 
        924.92384100 
        924.92400884 
   
  
  
       6.93    7.00
       7.49    7.56
   
        925.44565637 
        925.48055014 
        925.45728762 
   
  
  
       7.72    7.78
       8.29    8.36
   
        921.71555185 
        921.73540858 
        921.72217076 
   
  
  
       6.72    6.78
       7.29    7.35
   
        922.43856260 
        922.47809633 
        922.45174051 
   
  
  
       7.19    7.25
       7.77    7.83
   
        920.16706007 
        920.11892234 
        920.15101416 
   
  
  
       6.95    7.01
       7.54    7.60
   
        922.03909273 
        922.01765526 
        922.03194691 
   
  
  
       6.37    6.43
       6.94    7.01
   
        917.99885014 
        918.00883286 
        918.00217771 
   
  
  
       6.28    6.35
       6.84    6.91
   
        932.93905591 
        932.93136484 
        932.93649222 
   
  
  
       6.98    7.04
       7.55    7.61
   
        931.75510391 
        931.74515067 
        931.75178617 
   
  
  
       6.50    6.55
       7.08    7.14
   
        933.99963548 
        934.00066656 
        933.99997918 
   
  
  
       7.54    7.60
       8.11    8.18
   
        934.70119707 
        934.70302436 
        934.70180617 
   
  
  
       6.87    6.93
       7.44    7.50
   
        937.70295338 
        937.69950922 
        937.70180533 
   
  
  
       6.73    6.79
       7.30    7.36
   
        937.28586695 
        937.26207200 
        937.27793530 
   
  
  
       6.28    6.35
       6.85    6.92
   
        929.86755819 
        929.85976824 
        929.86496154 
   
  
  
       7.28    7.34
       7.86    7.92
   
        930.19107441 
        930.18095623 
        930.18770169 
   
  
  
       7.55    7.63
       8.14    8.21
   
        930.54975785 
        930.52948679 
        930.54300083 
   
  
  
       6.12    6.19
       6.71    6.78
   
        932.73134033 
        932.70366528 
        932.72211531 
   
  
  
       6.92    6.97
       7.49    7.55
   
        934.95368882 
        934.93394013 
        934.94710593 
   
  
  
       6.36    6.42
       6.98    7.04
   
        936.87714201 
        936.84417603 
        936.86615335 
   
  
  
       6.27    6.33
       6.91    6.97
   
        934.36597487 
        934.30783600 
        934.34659525 
   
  
  
       6.34    6.40
       6.92    6.99
   
        936.06289356 
        936.02347232 
        936.04975314 
   
  
  
       7.04    7.09
       7.65    7.70
   
        939.15354384 
        939.13242121 
        939.14650296 
   
  
  
       6.99    7.04
       7.61    7.67
   
        940.73679936 
        940.72081929 
        940.73147267 
   
  
  
       6.95    7.04
       7.62    7.70
   
        940.14065687 
        940.12606917 
        940.13579431 
   
  
  
       7.20    7.25
       7.86    7.91
   
        939.03547498 
        939.02178667 
        939.03091221 
   
  
  
       7.65    7.71
       8.27    8.33
   
        938.91014675 
        938.89746530 
        938.90591960 
   
  
  
       6.19    6.25
       6.80    6.86
   
        937.82830511 
        937.80978002 
        937.82213008 
   
  
  
       6.44    6.50
       7.05    7.12
   
        939.93716693 
        939.92432551 
        939.93288646 
   
  
  
       5.07    5.13
       5.72    5.78
   
        942.14926668 
        942.13033365 
        942.14295567 
   
  
  
       4.64    4.69
       5.28    5.34
   
        939.69494226 
        939.70042455 
        939.69676969 
   
  
  
       5.27    5.32
       5.89    5.95
   
        936.59124085 
        936.60422876 
        936.59557015 
   
  
  
       4.84    4.89
       5.47    5.53
   
        934.47649997 
        934.45317165 
        934.46872386 
   
  
  
       3.64    3.70
       4.29    4.36
   
        932.83227689 
        932.82005343 
        932.82820240 
   
  
  
       2.32    2.37
       2.90    2.96
   
        932.35537963 
        932.35000985 
        932.35358970 
   
  
  
       2.11    2.16
       2.70    2.75
   
        932.19880719 
        932.19684913 
        932.19815450 
   
  
  
       1.89    1.94
       2.44    2.49
   
        931.57936127 
        931.59026563 
        931.58299606 
   
  
  
       1.77    1.81
       2.30    2.35
   
        931.69638189 
        931.69891208 
        931.69722528 
   
  
  
       2.05    2.10
       2.59    2.64
   
        931.72866880 
        931.73181750 
        931.72971837 
   
  
  
       1.81    1.85
       2.35    2.39
   
        931.72744441 
        931.71153925 
        931.72214269 
   
  
  
       1.89    1.93
       2.42    2.47
   
        931.87331780 
        931.84683596 
        931.86449052 
   
  
  
       1.79    1.84
       2.32    2.38
   
        988.03690362 
        988.01032402 
        988.02804375 
   
  
  
       1.99    2.03
       2.52    2.57
   
        976.29234853 
        976.29143637 
        976.29204448 
   
  
  
       1.93    1.98
       2.47    2.52
   
        978.06272064 
        978.07847177 
        978.06797102 
   
  
  
       1.77    1.81
       2.31    2.36
   
        976.94313366 
        976.95054325 
        976.94560352 
   
  
  
       1.86    1.90
       2.39    2.44
   
        957.27163580 
        957.30553492 
        957.28293551 
   
  
  
       2.03    2.08
       2.56    2.61
   
        761.10002144 
        761.11624396 
        761.10542895 
   
  
  
       2.23    2.28
       2.77    2.82
   
       1008.51510146 
       1008.50094579 
       1008.51038290 
   
  
  
       2.01    2.05
       2.54    2.59
   
       1033.32256690 
       1033.32818834 
       1033.32444071 
   
  
  
       1.99    2.04
       2.53    2.58
   
       1062.91413260 
       1062.91662793 
       1062.91496438 
   
  
  
       2.34    2.39
       2.88    2.93
   
       1071.39630544 
       1071.39481835 
       1071.39580975 
   
  
  
       1.94    1.99
       2.47    2.52
   
       1036.52725872 
       1036.54117288 
       1036.53189678 
   
  
  
       2.06    2.11
       2.60    2.65
   
     -57429.97778318 
     -57430.02319211 
     -57429.99291949