vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  15:53:32 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
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      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 
    
   
   
           0.22130702       0.92219707       0.97384584 
           0.11885464       0.27940327       0.67660948 
           0.96700301       0.62901018       0.08211183 
           0.66245358       0.94561197       0.58405239 
           0.66580743       0.91746162       0.56422884 
           0.68608430       0.80369399       0.13005027 
           0.56517088       0.86664736       0.25353290 
           0.03835559       0.28973055       0.06440063 
           0.19566663       0.56771921       0.64587286 
           0.48728168       0.84242170       0.42621538 
           0.93962649       0.53138305       0.94126623 
           0.77692184       0.49939995       0.61154866 
           0.03710145       0.72408190       0.79882183 
           0.46790593       0.23144350       0.39836179 
           0.07320884       0.20244536       0.07525440 
           0.11263059       0.54848479       0.61201167 
           0.87172572       0.60170122       0.51235541 
           0.59190430       0.88064268       0.62463064 
           0.01614011       0.28282332       0.25610271 
           0.27446333       0.44232405       0.36189987 
           0.96224528       0.92856540       0.64879640 
           0.33089092       0.94495372       0.75389985 
           0.52073267       0.08683543       0.66442852 
           0.17691166       0.69681322       0.48469840 
           0.65990392       0.89746276       0.13252557 
           0.37164152       0.63507875       0.21887537 
           0.74905790       0.96620276       0.83418461 
           0.67948446       0.44722009       0.01893513 
           0.79382682       0.97949526       0.79456807 
           0.34656789       0.40468519       0.75352024 
           0.56673833       0.17941943       0.92188009 
           0.95457695       0.44828180       0.08168657 
           0.34567029       0.35699742       0.60320649 
           0.44905181       0.43988810       0.09612198 
           0.69062324       0.36371441       0.60507191 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
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          15 
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          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.33333333       0.50000000       0.00000000 
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          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   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 
   
  
  
          0.22130702       0.92219707       0.97384584 
          0.11885464       0.27940327       0.67660948 
          0.96700301       0.62901018       0.08211183 
          0.66245358       0.94561197       0.58405239 
          0.66580743       0.91746162       0.56422884 
          0.68608430       0.80369399       0.13005027 
          0.56517088       0.86664736       0.25353290 
          0.03835559       0.28973055       0.06440063 
          0.19566663       0.56771921       0.64587286 
          0.48728168       0.84242170       0.42621538 
          0.93962649       0.53138305       0.94126623 
          0.77692184       0.49939995       0.61154866 
          0.03710145       0.72408190       0.79882183 
          0.46790593       0.23144350       0.39836179 
          0.07320884       0.20244536       0.07525440 
          0.11263059       0.54848479       0.61201167 
          0.87172572       0.60170122       0.51235541 
          0.59190430       0.88064268       0.62463064 
          0.01614011       0.28282332       0.25610271 
          0.27446333       0.44232405       0.36189987 
          0.96224528       0.92856540       0.64879640 
          0.33089092       0.94495372       0.75389985 
          0.52073267       0.08683543       0.66442852 
          0.17691166       0.69681322       0.48469840 
          0.65990392       0.89746276       0.13252557 
          0.37164152       0.63507875       0.21887537 
          0.74905790       0.96620276       0.83418461 
          0.67948446       0.44722009       0.01893513 
          0.79382682       0.97949526       0.79456807 
          0.34656789       0.40468519       0.75352024 
          0.56673833       0.17941943       0.92188009 
          0.95457695       0.44828180       0.08168657 
          0.34567029       0.35699742       0.60320649 
          0.44905181       0.43988810       0.09612198 
          0.69062324       0.36371441       0.60507191 
  
 
 
  
      11.87   11.98
      12.38   12.48
   
         24.76344702 
       -953.10166741 
      -1794.77585246 
       -296.37237793 
       3170.77583059 
      -2609.60722799 
         -0.00631256 
       -186.88611739 
       3755.32434067 
       1110.11406254 
       1110.12037511 
       1110.11616673 
   
  
  
      15.10   15.21
      15.10   15.21
   
        492.62412136 
        492.63502636 
        492.62775636 
   
  
  
      19.18   19.31
      19.18   19.31
   
        353.69547584 
        353.72237476 
        353.70444214 
   
  
  
      17.23   17.35
      17.23   17.35
   
        337.54098287 
        337.60438906 
        337.56211827 
   
  
  
      17.46   17.56
      17.63   17.74
   
        336.37714806 
        336.42920728 
        336.39450113 
   
  
  
      19.06   19.17
      19.69   19.81
   
        334.78563168 
        334.78451763 
        334.78526033 
   
  
  
      19.63   19.74
      20.28   20.39
   
        269.80655108 
        269.77384006 
        269.79564740 
   
  
  
      17.27   17.38
      17.91   18.02
   
        433.39982375 
        433.39849716 
        433.39938155 
   
  
  
      16.15   16.27
      16.79   16.91
   
        400.15223396 
        400.15186468 
        400.15211087 
   
  
  
      15.97   16.07
      16.61   16.71
   
        399.16297989 
        399.18846277 
        399.17147418 
   
  
  
      15.46   15.58
      16.10   16.23
   
        399.70695452 
        399.72392059 
        399.71260988 
   
  
  
      17.09   17.22
      17.73   17.87
   
        399.18456946 
        399.22503826 
        399.19805906 
   
  
  
      16.72   16.84
      17.36   17.48
   
        400.84601095 
        400.79383986 
        400.82862059 
   
  
  
      16.28   16.38
      16.91   17.02
   
        411.36693521 
        411.38833228 
        411.37406756 
   
  
  
      16.14   16.25
      16.80   16.91
   
        410.12650588 
        410.13118015 
        410.12806397 
   
  
  
      15.21   15.32
      15.85   15.96
   
        408.67318400 
        408.66944082 
        408.67193628 
   
  
  
      18.50   18.64
      19.15   19.29
   
        408.69701572 
        408.69216851 
        408.69539999 
   
  
  
      16.44   16.55
      17.07   17.19
   
        406.59429904 
        406.57738599 
        406.58866136 
   
  
  
      14.98   15.09
      15.64   15.75
   
        407.07729435 
        407.08763255 
        407.08074041 
   
  
  
      15.00   15.14
      15.63   15.77
   
        403.93628030 
        403.95858379 
        403.94371480 
   
  
  
      15.55   15.67
      16.21   16.33
   
        403.53379246 
        403.55309096 
        403.54022530 
   
  
  
      18.37   18.51
      19.08   19.22
   
        403.27091070 
        403.28953727 
        403.27711955 
   
  
  
      15.88   15.99
      16.57   16.68
   
        403.50096406 
        403.52457104 
        403.50883305 
   
  
  
      16.22   16.33
      16.87   16.98
   
        403.67656896 
        403.69792094 
        403.68368629 
   
  
  
      13.59   13.70
      14.22   14.32
   
        403.80697645 
        403.77198775 
        403.79531355 
   
  
  
      14.95   15.07
      15.60   15.73
   
        403.98236137 
        403.94740540 
        403.97070938 
   
  
  
      14.36   14.49
      15.02   15.15
   
        404.08924049 
        404.06626710 
        404.08158270 
   
  
  
      12.89   12.99
      13.54   13.66
   
        405.13399043 
        405.10397939 
        405.12398675 
   
  
  
      13.56   13.67
      14.22   14.33
   
        411.50011957 
        411.49068113 
        411.49697342 
   
  
  
      14.90   15.01
      15.56   15.67
   
        424.39177279 
        424.38129423 
        424.38827994 
   
  
  
      12.77   12.89
      13.43   13.55
   
        411.16684067 
        411.17608275 
        411.16992136 
   
  
  
      12.93   13.06
      13.60   13.73
   
        407.15568179 
        407.16011878 
        407.15716079 
   
  
  
      15.43   15.54
      16.10   16.22
   
        407.06628014 
        407.07063423 
        407.06773150 
   
  
  
      13.75   13.87
      14.41   14.53
   
        407.58336206 
        407.59423795 
        407.58698736 
   
  
  
      10.21   10.32
      10.89   11.01
   
        406.22783998 
        406.23754983 
        406.23107660 
   
  
  
      10.21   10.33
      10.87   11.00
   
        406.09419400 
        406.10018286 
        406.09619029 
   
  
  
       8.96    9.08
       9.60    9.71
   
        407.12542693 
        407.13156015 
        407.12747134 
   
  
  
      10.95   11.06
      11.59   11.70
   
        406.77929571 
        406.78239330 
        406.78032824 
   
  
  
       9.81    9.93
      10.46   10.58
   
        406.44785131 
        406.44664389 
        406.44744884 
   
  
  
       9.52    9.64
      10.18   10.30
   
        408.20065701 
        408.22269346 
        408.20800249 
   
  
  
      10.67   10.78
      11.33   11.44
   
        409.77679499 
        409.81163113 
        409.78840704 
   
  
  
       8.97    9.08
       9.63    9.74
   
        423.31249028 
        423.32894093 
        423.31797383 
   
  
  
       9.54    9.65
      10.20   10.32
   
        436.43936589 
        436.44286620 
        436.44053266 
   
  
  
      12.10   12.22
      12.77   12.90
   
        436.71748186 
        436.72002633 
        436.71833002 
   
  
  
      10.66   10.77
      11.32   11.43
   
        436.20432557 
        436.20817510 
        436.20560875 
   
  
  
       8.45    8.57
       9.16    9.27
   
        436.28175607 
        436.28545901 
        436.28299038 
   
  
  
       6.57    6.68
       7.22    7.32
   
        438.48754591 
        438.49023096 
        438.48844093 
   
  
  
       7.28    7.39
       7.92    8.04
   
        437.13929350 
        437.13988324 
        437.13949008 
   
  
  
       8.79    8.90
       9.43    9.55
   
        437.20205246 
        437.20281967 
        437.20230820 
   
  
  
       6.65    6.76
       7.31    7.42
   
        434.57836701 
        434.58055014 
        434.57909472 
   
  
  
       6.36    6.47
       7.01    7.12
   
        629.39463481 
        629.40943502 
        629.39956821 
   
  
  
       7.19    7.31
       7.84    7.97
   
       2822.37989407 
       2822.41286987 
       2822.39088600 
   
  
  
       7.94    8.04
       8.59    8.70
   
        635.87606169 
        635.90280343 
        635.88497561 
   
  
  
       7.19    7.30
       7.85    7.96
   
        630.85807617 
        630.88492463 
        630.86702566 
   
  
  
       7.86    7.97
       8.51    8.62
   
        416.96680556 
        416.96299721 
        416.96553611 
   
  
  
       7.40    7.51
       8.04    8.16
   
        645.86207154 
        645.83294677 
        645.85236328 
   
  
  
       8.37    8.47
       9.01    9.12
   
        638.74495816 
        638.77826394 
        638.75606009 
   
  
  
       7.18    7.29
       7.83    7.94
   
        617.16972610 
        617.16197145 
        617.16714122 
   
  
  
       7.78    7.89
       8.43    8.54
   
        655.66226763 
        655.68468960 
        655.66974162 
   
  
  
       7.80    7.90
       8.45    8.55
   
        855.27410337 
        855.30329122 
        855.28383265 
   
  
  
       7.43    7.53
       8.07    8.17
   
        681.98417836 
        682.00961732 
        681.99265801 
   
  
  
       7.63    7.74
       8.27    8.38
   
        635.87148825 
        635.86942888 
        635.87080179 
   
  
  
       7.45    7.55
       8.09    8.19
   
        612.07957190 
        612.11115052 
        612.09009811 
   
  
  
       6.17    6.28
       6.82    6.93
   
       1661.76968372 
       1661.78559230 
       1661.77498658 
   
  
  
       7.72    7.83
       8.37    8.48
   
        529.54086681 
        529.55443541 
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    **************** 
    **************** 
    **************** 
   
  
  
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