vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  09:11:13 
 
 
  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 
    
   
   
           0.05096200       0.43455345       0.77199066 
           0.15448174       0.73964837       0.38718413 
           0.05677865       0.21216827       0.13229478 
           0.99813272       0.08560779       0.36442527 
           0.09399706       0.68136197       0.08864487 
           0.61276110       0.73936849       0.71457956 
           0.44438483       0.44876319       0.81288209 
           0.06447163       0.91377351       0.40664668 
           0.68832214       0.63699552       0.23566076 
           0.42937105       0.94556777       0.42710212 
           0.91524591       0.22253016       0.87003812 
           0.05783102       0.44004662       0.74534275 
           0.24911559       0.20009337       0.62649401 
           0.38287979       0.46460880       0.14949621 
           0.37859427       0.25537594       0.99779230 
           0.40010599       0.19857101       0.49926756 
           0.38755868       0.28899589       0.51547517 
           0.90469034       0.46830799       0.16879684 
           0.46696567       0.95594446       0.88762778 
           0.56462102       0.97320890       0.98150613 
           0.11466997       0.50607345       0.91151464 
           0.93675960       0.63724551       0.71954152 
           0.04015390       0.11582449       0.62031746 
           0.46676011       0.88703717       0.64716896 
           0.96716753       0.68950356       0.93896703 
           0.73851285       0.37117843       0.51340823 
           0.45849257       0.45586937       0.72105182 
           0.71145030       0.32021770       0.67921682 
           0.22406884       0.78079204       0.49302199 
           0.92099025       0.71270531       0.06173495 
           0.75430006       0.25291116       0.68397296 
           0.13057318       0.07464080       0.98559804 
           0.99559840       0.99930148       0.96604860 
           0.90261803       0.90795451       0.19269183 
           0.22997947       0.94944914       0.42491422 
   
  
  
           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 
   
  
  
          0.05096200       0.43455345       0.77199066 
          0.15448174       0.73964837       0.38718413 
          0.05677865       0.21216827       0.13229478 
          0.99813272       0.08560779       0.36442527 
          0.09399706       0.68136197       0.08864487 
          0.61276110       0.73936849       0.71457956 
          0.44438483       0.44876319       0.81288209 
          0.06447163       0.91377351       0.40664668 
          0.68832214       0.63699552       0.23566076 
          0.42937105       0.94556777       0.42710212 
          0.91524591       0.22253016       0.87003812 
          0.05783102       0.44004662       0.74534275 
          0.24911559       0.20009337       0.62649401 
          0.38287979       0.46460880       0.14949621 
          0.37859427       0.25537594       0.99779230 
          0.40010599       0.19857101       0.49926756 
          0.38755868       0.28899589       0.51547517 
          0.90469034       0.46830799       0.16879684 
          0.46696567       0.95594446       0.88762778 
          0.56462102       0.97320890       0.98150613 
          0.11466997       0.50607345       0.91151464 
          0.93675960       0.63724551       0.71954152 
          0.04015390       0.11582449       0.62031746 
          0.46676011       0.88703717       0.64716896 
          0.96716753       0.68950356       0.93896703 
          0.73851285       0.37117843       0.51340823 
          0.45849257       0.45586937       0.72105182 
          0.71145030       0.32021770       0.67921682 
          0.22406884       0.78079204       0.49302199 
          0.92099025       0.71270531       0.06173495 
          0.75430006       0.25291116       0.68397296 
          0.13057318       0.07464080       0.98559804 
          0.99559840       0.99930148       0.96604860 
          0.90261803       0.90795451       0.19269183 
          0.22997947       0.94944914       0.42491422 
  
 
 
  
       5.86    5.92
       6.38    6.44
   
         24.76344702 
      -1060.62864586 
      -1581.37425060 
       -296.70023580 
       3170.77583059 
      -2609.60722799 
          0.01917878 
       -187.67047320 
       3755.32434067 
       1214.90196361 
       1214.88278483 
       1214.89557068 
   
  
  
       7.54    7.59
       7.54    7.59
   
        600.86877651 
        600.85691390 
        600.86482231 
   
  
  
       8.86    8.92
       8.86    8.92
   
        469.30177250 
        469.26135984 
        469.28830162 
   
  
  
       8.23    8.29
       8.23    8.30
   
        450.54610502 
        450.49722913 
        450.52981306 
   
  
  
       7.70    7.75
       7.81    7.87
   
        449.84388079 
        449.79474120 
        449.82750093 
   
  
  
       8.58    8.64
       9.15    9.21
   
        469.77327792 
        469.79783687 
        469.78146424 
   
  
  
       8.31    8.37
       8.89    8.95
   
        525.43716588 
        525.42482507 
        525.43305228 
   
  
  
       8.19    8.24
       8.78    8.84
   
        523.71916064 
        523.71987072 
        523.71939733 
   
  
  
       8.49    8.54
       9.06    9.11
   
        532.96843923 
        532.99259970 
        532.97649272 
   
  
  
       7.46    7.52
       8.04    8.10
   
        532.91039564 
        532.95447077 
        532.92508735 
   
  
  
       7.77    7.83
       8.32    8.40
   
        531.08772880 
        531.08896689 
        531.08814149 
   
  
  
       7.73    7.79
       8.32    8.38
   
        526.19323748 
        526.15751515 
        526.18133003 
   
  
  
       7.81    7.87
       8.40    8.46
   
        520.57704456 
        520.58413479 
        520.57940797 
   
  
  
       7.50    7.56
       8.05    8.12
   
        519.98146509 
        519.97634505 
        519.97975841 
   
  
  
       7.16    7.22
       7.72    7.78
   
        519.49323611 
        519.49257000 
        519.49301408 
   
  
  
       8.55    8.62
       9.13    9.21
   
        518.51724410 
        518.52534467 
        518.51994429 
   
  
  
       7.01    7.07
       7.58    7.64
   
        518.93005773 
        518.92780704 
        518.92930750 
   
  
  
       7.27    7.33
       7.89    7.95
   
        519.43401044 
        519.42970845 
        519.43257644 
   
  
  
       6.89    6.95
       7.48    7.55
   
        519.44347077 
        519.44041688 
        519.44245281 
   
  
  
       7.39    7.46
       7.97    8.04
   
        520.43225505 
        520.43255028 
        520.43235346 
   
  
  
       7.18    7.24
       7.78    7.84
   
        522.12086088 
        522.11790752 
        522.11987643 
   
  
  
       6.96    7.02
       7.55    7.62
   
        521.47027440 
        521.46711135 
        521.46922005 
   
  
  
       7.26    7.32
       7.84    7.90
   
        521.60344880 
        521.61278979 
        521.60656247 
   
  
  
       6.98    7.04
       7.57    7.63
   
        521.01415479 
        521.02851164 
        521.01894041 
   
  
  
       7.29    7.35
       7.87    7.94
   
        520.33888636 
        520.36454084 
        520.34743786 
   
  
  
       7.23    7.30
       7.81    7.89
   
        520.18672633 
        520.21889366 
        520.19744877 
   
  
  
       6.81    6.88
       7.39    7.46
   
        520.21033102 
        520.24742886 
        520.22269696 
   
  
  
       7.10    7.17
       7.69    7.76
   
        519.43793406 
        519.48196470 
        519.45261094 
   
  
  
       6.46    6.52
       7.05    7.11
   
        519.61058263 
        519.65367881 
        519.62494802 
   
  
  
       7.22    7.28
       7.80    7.86
   
        520.08229046 
        520.11848663 
        520.09435585 
   
  
  
       6.46    6.52
       7.06    7.12
   
        519.95780657 
        519.99615375 
        519.97058896 
   
  
  
       7.22    7.28
       7.80    7.86
   
        519.46772058 
        519.50964672 
        519.48169596 
   
  
  
       6.27    6.33
       6.88    6.94
   
        519.46343629 
        519.50559634 
        519.47748964 
   
  
  
       6.95    7.00
       7.55    7.61
   
        518.64070910 
        518.68045433 
        518.65395751 
   
  
  
       6.44    6.50
       7.03    7.10
   
        519.38726533 
        519.40810729 
        519.39421265 
   
  
  
       6.60    6.66
       7.19    7.25
   
        519.31369673 
        519.33240332 
        519.31993226 
   
  
  
       7.28    7.33
       7.88    7.94
   
        519.30617031 
        519.32491160 
        519.31241740 
   
  
  
       7.33    7.41
       7.93    8.01
   
        519.63373630 
        519.65317748 
        519.64021670 
   
  
  
       6.05    6.12
       6.65    6.72
   
        520.54026114 
        520.55792568 
        520.54614932 
   
  
  
       6.32    6.38
       6.92    6.99
   
        520.22777842 
        520.24342479 
        520.23299388 
   
  
  
       7.44    7.49
       8.05    8.11
   
        520.47532637 
        520.49250975 
        520.48105417 
   
  
  
       6.56    6.61
       7.22    7.28
   
        523.82991993 
        523.84760019 
        523.83581335 
   
  
  
       7.00    7.06
       7.65    7.71
   
        523.64207548 
        523.66103848 
        523.64839648 
   
  
  
       6.27    6.33
       6.90    6.98
   
        523.59942853 
        523.61621348 
        523.60502351 
   
  
  
       6.41    6.46
       7.02    7.08
   
        523.79931072 
        523.81618479 
        523.80493541 
   
  
  
       6.04    6.09
       6.67    6.72
   
        525.62829017 
        525.64380230 
        525.63346088 
   
  
  
       5.92    5.98
       6.53    6.60
   
        531.28933523 
        531.31268169 
        531.29711738 
   
  
  
       6.66    6.72
       7.28    7.34
   
        535.10371815 
        535.13802182 
        535.11515271 
   
  
  
       7.61    7.67
       8.22    8.28
   
        534.66098032 
        534.68610497 
        534.66935520 
   
  
  
       7.26    7.32
       7.93    8.00
   
        535.48541842 
        535.50818027 
        535.49300570 
   
  
  
       7.53    7.59
       8.17    8.23
   
        653.01041960 
        653.00089441 
        653.00724453 
   
  
  
       7.00    7.05
       7.66    7.71
   
        697.13387344 
        697.13072936 
        697.13282542 
   
  
  
       7.17    7.24
       7.81    7.88
   
        696.79229224 
        696.81135021 
        696.79864490 
   
  
  
       6.51    6.56
       7.13    7.19
   
        718.28469416 
        718.26703631 
        718.27880821 
   
  
  
       6.26    6.32
       6.87    6.94
   
        720.16358961 
        720.12694362 
        720.15137428 
   
  
  
       7.37    7.44
       7.98    8.06
   
        747.36283925 
        747.35688756 
        747.36085535 
   
  
  
       7.18    7.25
       7.80    7.87
   
        761.11901120 
        761.13702779 
        761.12501673 
   
  
  
       6.05    6.11
       6.71    6.78
   
        655.48798904 
        655.49742515 
        655.49113441 
   
  
  
       5.20    5.26
       5.84    5.90
   
        650.51692618 
        650.51829171 
        650.51738136 
   
  
  
       5.99    6.05
       6.68    6.76
   
        751.90564364 
        751.91030420 
        751.90719716 
   
  
  
       5.70    5.76
       6.36    6.42
   
       -363.85093440 
       -363.81704989 
       -363.83963956 
   
  
  
       6.29    6.35
       6.93    6.99
   
     -18491.73145328 
     -18491.76157453 
     -18491.74149370 
   
  
  
       5.11    5.16
       5.76    5.81
   
        841.20275159 
        841.17790557 
        841.19446959 
   
  
  
       5.18    5.23
       5.80    5.86
   
        885.21558359 
        885.22231477 
        885.21782731