vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  07:52:13 
 
 
  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 
    
   
   
           0.04008405       0.53910129       0.56644204 
           0.41410096       0.81035409       0.90072161 
           0.72018574       0.93040480       0.20072334 
           0.75417843       0.66900007       0.19406783 
           0.04522642       0.03558980       0.80043121 
           0.76387529       0.38693307       0.23636367 
           0.83725111       0.51278730       0.76633903 
           0.72934358       0.49132296       0.53103517 
           0.47827840       0.71269050       0.39406491 
           0.03442557       0.98055031       0.43435432 
           0.42048151       0.41787929       0.42509735 
           0.07228076       0.00068519       0.84450686 
           0.77307509       0.19327012       0.11625224 
           0.56205018       0.77296575       0.40919076 
           0.90316059       0.42361721       0.92021846 
           0.71693320       0.17338785       0.17851811 
           0.08787079       0.65257789       0.94809213 
           0.22514470       0.11125534       0.63725780 
           0.70093264       0.06935708       0.75276910 
           0.58451400       0.22435486       0.63959628 
           0.42536142       0.07434973       0.31802301 
           0.99486074       0.12104214       0.01655208 
           0.92896068       0.60492280       0.67904070 
           0.39956769       0.29665092       0.50424624 
           0.53753220       0.45592955       0.78767497 
           0.76510211       0.80655610       0.31689614 
           0.37973920       0.41408002       0.43108450 
           0.64649804       0.56423014       0.98755581 
           0.88730599       0.14331483       0.04394185 
           0.03965938       0.48077860       0.53773074 
           0.98128108       0.37796604       0.99922472 
           0.17462113       0.89190015       0.05341144 
           0.29544526       0.50012471       0.18168164 
           0.00627501       0.97987963       0.88140929 
           0.92527523       0.86948583       0.66548092 
   
  
  
           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 
   
  
  
          0.04008405       0.53910129       0.56644204 
          0.41410096       0.81035409       0.90072161 
          0.72018574       0.93040480       0.20072334 
          0.75417843       0.66900007       0.19406783 
          0.04522642       0.03558980       0.80043121 
          0.76387529       0.38693307       0.23636367 
          0.83725111       0.51278730       0.76633903 
          0.72934358       0.49132296       0.53103517 
          0.47827840       0.71269050       0.39406491 
          0.03442557       0.98055031       0.43435432 
          0.42048151       0.41787929       0.42509735 
          0.07228076       0.00068519       0.84450686 
          0.77307509       0.19327012       0.11625224 
          0.56205018       0.77296575       0.40919076 
          0.90316059       0.42361721       0.92021846 
          0.71693320       0.17338785       0.17851811 
          0.08787079       0.65257789       0.94809213 
          0.22514470       0.11125534       0.63725780 
          0.70093264       0.06935708       0.75276910 
          0.58451400       0.22435486       0.63959628 
          0.42536142       0.07434973       0.31802301 
          0.99486074       0.12104214       0.01655208 
          0.92896068       0.60492280       0.67904070 
          0.39956769       0.29665092       0.50424624 
          0.53753220       0.45592955       0.78767497 
          0.76510211       0.80655610       0.31689614 
          0.37973920       0.41408002       0.43108450 
          0.64649804       0.56423014       0.98755581 
          0.88730599       0.14331483       0.04394185 
          0.03965938       0.48077860       0.53773074 
          0.98128108       0.37796604       0.99922472 
          0.17462113       0.89190015       0.05341144 
          0.29544526       0.50012471       0.18168164 
          0.00627501       0.97987963       0.88140929 
          0.92527523       0.86948583       0.66548092 
  
 
 
  
       5.96    6.02
       6.47    6.53
   
         24.76344702 
       -729.09930942 
      -1709.77674572 
       -297.48019331 
       3170.77583059 
      -2609.60722799 
         -0.01709489 
       -191.51481576 
       3755.32434067 
       1413.36823119 
       1413.38532608 
       1413.37392949 
   
  
  
       7.64    7.70
       7.65    7.70
   
        782.28682051 
        782.28800526 
        782.28721543 
   
  
  
       8.78    8.84
       8.79    8.84
   
        632.71528713 
        632.72869009 
        632.71975479 
   
  
  
       8.57    8.62
       8.57    8.62
   
        608.80991930 
        608.78853007 
        608.80278956 
   
  
  
       7.47    7.56
       7.59    7.68
   
        607.62763441 
        607.61061106 
        607.62195996 
   
  
  
       9.50    9.57
      10.08   10.15
   
        575.82883584 
        575.80779807 
        575.82182325 
   
  
  
       8.78    8.84
       9.35    9.41
   
        653.97840030 
        653.98131260 
        653.97937107 
   
  
  
       7.93    7.99
       8.50    8.56
   
        698.22643007 
        698.20979646 
        698.22088553 
   
  
  
       7.65    7.73
       8.22    8.30
   
        673.35323527 
        673.40650731 
        673.37099262 
   
  
  
       7.92    7.99
       8.49    8.56
   
        655.22194201 
        655.23485242 
        655.22624548 
   
  
  
       7.94    8.00
       8.52    8.57
   
        670.67303135 
        670.68719768 
        670.67775346 
   
  
  
       7.63    7.68
       8.20    8.26
   
        668.88850058 
        668.92123684 
        668.89941267 
   
  
  
       7.12    7.17
       7.68    7.74
   
        674.55258702 
        674.57244496 
        674.55920634 
   
  
  
       7.68    7.74
       8.24    8.30
   
        674.53115086 
        674.53967364 
        674.53399179 
   
  
  
       6.66    6.71
       7.23    7.29
   
        680.31535109 
        680.34282933 
        680.32451051 
   
  
  
       6.59    6.65
       7.16    7.22
   
        677.80284300 
        677.82754531 
        677.81107710 
   
  
  
       7.80    7.87
       8.37    8.43
   
        548.47731144 
        548.51587247 
        548.49016512 
   
  
  
       6.13    6.18
       6.69    6.75
   
        686.81873793 
        686.84627259 
        686.82791615 
   
  
  
       6.34    6.40
       6.90    6.97
   
        683.74861636 
        683.76657926 
        683.75460399 
   
  
  
       6.63    6.68
       7.22    7.28
   
        679.78965231 
        679.81809135 
        679.79913199 
   
  
  
       7.58    7.64
       8.17    8.23
   
        679.35036356 
        679.36769507 
        679.35614073 
   
  
  
       6.08    6.14
       6.67    6.74
   
        686.93758148 
        686.93925024 
        686.93813773 
   
  
  
       6.02    6.08
       6.61    6.67
   
        697.93817772 
        697.91954523 
        697.93196689 
   
  
  
       6.75    6.82
       7.33    7.40
   
        708.21084588 
        708.19903430 
        708.20690869 
   
  
  
       6.34    6.40
       6.91    6.97
   
        732.39503132 
        732.40414507 
        732.39806924 
   
  
  
       7.63    7.69
       8.23    8.29
   
        736.60307293 
        736.61062128 
        736.60558904 
   
  
  
       6.63    6.69
       7.24    7.30
   
        749.88779757 
        749.93422292 
        749.90327269 
   
  
  
       7.48    7.53
       8.05    8.11
   
        742.34197945 
        742.34772300 
        742.34389397 
   
  
  
       7.81    7.87
       8.40    8.46
   
      -8050.19476562 
      -8050.20793287 
      -8050.19915470 
   
  
  
       6.45    6.51
       7.04    7.11
   
        769.21765934 
        769.17525934 
        769.20352601 
   
  
  
       7.06    7.12
       7.65    7.72
   
        750.18623561 
        750.21061119 
        750.19436080 
   
  
  
       7.00    7.05
       7.60    7.66
   
        741.04201020 
        741.04039801 
        741.04147281 
   
  
  
       7.20    7.27
       7.79    7.86
   
        739.39213792 
        739.40077865 
        739.39501817 
   
  
  
       8.35    8.41
       8.94    9.00
   
        739.03647354 
        739.02758542 
        739.03351083 
   
  
  
       7.00    7.06
       7.66    7.72
   
        741.58403192 
        741.61172608 
        741.59326331 
   
  
  
       6.86    6.93
       7.51    7.58
   
        738.07813949 
        738.10074940 
        738.08567613 
   
  
  
       6.82    6.89
       7.42    7.49
   
        731.69944060 
        731.69932286 
        731.69940135 
   
  
  
       6.16    6.21
       6.77    6.83
   
        731.44874346 
        731.45007238 
        731.44918643 
   
  
  
       5.45    5.50
       6.08    6.14
   
        735.71619770 
        735.71952820 
        735.71730787