vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  13:52:52 
 
 
  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 
    
   
   
           0.14766454       0.11707018       0.84110930 
           0.58667963       0.66279662       0.36513860 
           0.75785255       0.53167464       0.15384602 
           0.49755397       0.36760252       0.36509198 
           0.34177633       0.53805138       0.01924806 
           0.45729488       0.12035580       0.04118363 
           0.85605136       0.51561790       0.64608827 
           0.91651465       0.18240079       0.05979537 
           0.67225287       0.87637267       0.71983027 
           0.20185204       0.03983171       0.75111866 
           0.35352697       0.46865080       0.38239077 
           0.35566917       0.81223788       0.73912979 
           0.24102319       0.83546169       0.01056243 
           0.09618912       0.17812440       0.18913957 
           0.53242657       0.78104857       0.88130181 
           0.05421446       0.76731420       0.91163330 
           0.23113929       0.41366368       0.49327641 
           0.15885024       0.36258337       0.13918468 
           0.16105260       0.46139953       0.20731994 
           0.94804454       0.85642472       0.09924682 
           0.77438010       0.68804954       0.12742587 
           0.31232196       0.70827289       0.43910606 
           0.55468530       0.51262813       0.08043440 
           0.03848514       0.87366010       0.47625268 
           0.43717830       0.16285858       0.87076084 
           0.63555762       0.52135908       0.52415170 
           0.21588361       0.70478773       0.74972217 
           0.89377489       0.39083607       0.11078177 
           0.41966184       0.48957369       0.20562604 
           0.60937226       0.80120403       0.09736936 
           0.71303720       0.25741182       0.96219156 
           0.84816015       0.51475924       0.64186124 
           0.49462470       0.46137122       0.80945560 
           0.48073664       0.52928969       0.54888243 
           0.39326950       0.43794744       0.23087190 
   
  
  
           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 
   
  
  
          0.14766454       0.11707018       0.84110930 
          0.58667963       0.66279662       0.36513860 
          0.75785255       0.53167464       0.15384602 
          0.49755397       0.36760252       0.36509198 
          0.34177633       0.53805138       0.01924806 
          0.45729488       0.12035580       0.04118363 
          0.85605136       0.51561790       0.64608827 
          0.91651465       0.18240079       0.05979537 
          0.67225287       0.87637267       0.71983027 
          0.20185204       0.03983171       0.75111866 
          0.35352697       0.46865080       0.38239077 
          0.35566917       0.81223788       0.73912979 
          0.24102319       0.83546169       0.01056243 
          0.09618912       0.17812440       0.18913957 
          0.53242657       0.78104857       0.88130181 
          0.05421446       0.76731420       0.91163330 
          0.23113929       0.41366368       0.49327641 
          0.15885024       0.36258337       0.13918468 
          0.16105260       0.46139953       0.20731994 
          0.94804454       0.85642472       0.09924682 
          0.77438010       0.68804954       0.12742587 
          0.31232196       0.70827289       0.43910606 
          0.55468530       0.51262813       0.08043440 
          0.03848514       0.87366010       0.47625268 
          0.43717830       0.16285858       0.87076084 
          0.63555762       0.52135908       0.52415170 
          0.21588361       0.70478773       0.74972217 
          0.89377489       0.39083607       0.11078177 
          0.41966184       0.48957369       0.20562604 
          0.60937226       0.80120403       0.09736936 
          0.71303720       0.25741182       0.96219156 
          0.84816015       0.51475924       0.64186124 
          0.49462470       0.46137122       0.80945560 
          0.48073664       0.52928969       0.54888243 
          0.39326950       0.43794744       0.23087190 
  
 
 
  
       5.73    5.79
       6.24    6.30
   
         24.76344702 
       2225.16659295 
      -2768.24681746 
       -292.63528968 
       3170.77583059 
      -2609.60722799 
          0.00009456 
       -159.77936882 
       3755.32434067 
       3345.76160186 
       3345.76150730 
       3345.76157034 
   
  
  
       7.45    7.50
       7.45    7.50
   
       2711.93816623 
       2711.93822631 
       2711.93818626 
   
  
  
       9.27    9.33
       9.27    9.33
   
       2559.24267263 
       2559.24615743 
       2559.24383423 
   
  
  
       8.00    8.06
       8.00    8.06
   
       2522.24700448 
       2522.24095765 
       2522.24498887 
   
  
  
       7.37    7.43
       7.49    7.55
   
       2520.98361960 
       2520.97665270 
       2520.98129730 
   
  
  
       8.15    8.20
       8.71    8.77
   
       2477.05845957 
       2477.04323259 
       2477.05338391 
   
  
  
       8.81    8.87
       9.38    9.44
   
       2593.95619292 
       2593.97866644 
       2593.96368409 
   
  
  
       7.43    7.48
       8.00    8.05
   
       2622.05407027 
       2622.04476750 
       2622.05096935 
   
  
  
       7.88    7.94
       8.44    8.50
   
       2616.82854605 
       2616.77354316 
       2616.81021175 
   
  
  
       8.07    8.13
       8.65    8.70
   
       2614.73404359 
       2614.73304106 
       2614.73370941 
   
  
  
       8.26    8.32
       8.84    8.91
   
       2602.43362761 
       2602.43091829 
       2602.43272451 
   
  
  
       7.10    7.16
       7.66    7.72
   
       2613.24691907 
       2613.23358084 
       2613.24247299 
   
  
  
       7.93    8.01
       8.49    8.57
   
       2628.33105122 
       2628.27185008 
       2628.31131751 
   
  
  
       7.37    7.44
       7.92    8.00
   
       2629.45878107 
       2629.41305513 
       2629.44353909 
   
  
  
       7.98    8.03
       8.54    8.60
   
       2631.50757759 
       2631.51393361 
       2631.50969626 
   
  
  
       8.71    8.76
       9.27    9.34
   
       2632.83500655 
       2632.84047162 
       2632.83682824 
   
  
  
       8.28    8.33
       8.84    8.90
   
       2632.85833362 
       2632.86384595 
       2632.86017106 
   
  
  
       7.92    7.98
       8.50    8.56
   
       2632.90612090 
       2632.90340002 
       2632.90521394 
   
  
  
       7.39    7.45
       7.96    8.03
   
       2632.88733384 
       2632.86448111 
       2632.87971626 
   
  
  
       7.58    7.64
       8.15    8.21
   
       2632.19803719 
       2632.17663446 
       2632.19090294 
   
  
  
       7.59    7.65
       8.17    8.23
   
       2631.49640452 
       2631.46488485 
       2631.48589796 
   
  
  
       8.03    8.09
       8.60    8.66
   
       2632.74777537 
       2632.71796370 
       2632.73783814 
   
  
  
       7.90    7.96
       8.47    8.54
   
       2632.84627089 
       2632.84494051 
       2632.84582743 
   
  
  
       7.18    7.23
       7.75    7.80
   
       2633.26837681 
       2633.21558451 
       2633.25077938 
   
  
  
       7.96    8.04
       8.54    8.63
   
       2632.81699613 
       2632.79260220 
       2632.80886482 
   
  
  
       7.41    7.46
       7.98    8.04
   
       2633.37019258 
       2633.33550655 
       2633.35863057 
   
  
  
       6.95    7.00
       7.55    7.61
   
       2632.92860302 
       2632.90011729 
       2632.91910777 
   
  
  
       7.44    7.49
       8.04    8.10
   
       2633.89081074 
       2633.87073379 
       2633.88411843 
   
  
  
       7.50    7.56
       8.11    8.17
   
       2633.44354937 
       2633.45181204 
       2633.44630360 
   
  
  
       7.30    7.36
       7.88    7.94
   
       2635.02796328 
       2635.04021754 
       2635.03204804 
   
  
  
       7.28    7.33
       7.85    7.91
   
       2634.94969574 
       2634.96302233 
       2634.95413794 
   
  
  
       7.18    7.24
       7.79    7.85
   
       2638.15307565 
       2638.18075696 
       2638.16230276 
   
  
  
       7.92    7.98
       8.52    8.58
   
       2639.70517592 
       2639.74893571 
       2639.71976251 
   
  
  
       6.64    6.69
       7.25    7.30
   
       2637.93051124 
       2637.95419879 
       2637.93840709 
   
  
  
       5.25    5.34
       5.87    5.98
   
       2638.38653732 
       2638.40185848 
       2638.39164438 
   
  
  
       4.84    4.90
       5.44    5.50
   
       2638.98746731 
       2639.00609518 
       2638.99367660 
   
  
  
       5.80    5.85
       6.38    6.43
   
       2639.02504297 
       2639.04400952 
       2639.03136516 
   
  
  
       6.11    6.17
       6.70    6.76
   
       2638.99454241 
       2639.01254663 
       2639.00054382 
   
  
  
       4.62    4.67
       5.22    5.29
   
       2639.00867655 
       2639.02671284 
       2639.01468865 
   
  
  
       5.75    5.83
       6.34    6.43
   
       2639.04842064 
       2639.06311093 
       2639.05331741 
   
  
  
       4.89    4.95
       5.51    5.57
   
       2639.04696850 
       2639.06657223 
       2639.05350308 
   
  
  
       4.79    4.85
       5.38    5.44
   
       2638.57427704 
       2638.59570295 
       2638.58141901 
   
  
  
       3.57    3.63
       4.21    4.26
   
       2638.41107397 
       2638.40705534 
       2638.40973443 
   
  
  
       3.31    3.36
       3.89    3.94
   
       2639.56688582 
       2639.56473149 
       2639.56616771 
   
  
  
       3.37    3.43
       3.95    4.01
   
       2640.34122717 
       2640.33728321 
       2640.33991252 
   
  
  
       3.79    3.85
       4.38    4.43
   
       2640.31419707 
       2640.31276664 
       2640.31372026 
   
  
  
       3.42    3.47
       4.00    4.05
   
       2640.00709197 
       2640.00790034 
       2640.00736142 
   
  
  
       3.16    3.22
       3.75    3.80
   
       2639.69177580 
       2639.68570889 
       2639.68975350 
   
  
  
       3.61    3.66
       4.20    4.26
   
       2640.26379221 
       2640.26212175 
       2640.26323539 
   
  
  
       3.87    3.92
       4.46    4.51
   
       2640.44037433 
       2640.43181451 
       2640.43752105 
   
  
  
       3.16    3.22
       3.75    3.81
   
       2661.12575010 
       2661.12813214 
       2661.12654412 
   
  
  
       3.57    3.62
       4.15    4.21
   
       2644.97821271 
       2644.95118041 
       2644.96920194 
   
  
  
       3.80    3.86
       4.39    4.45
   
       2641.36044704 
       2641.34288748 
       2641.35459386 
   
  
  
       3.61    3.67
       4.20    4.26
   
       2642.51581555 
       2642.49610355 
       2642.50924488 
   
  
  
       3.86    3.92
       4.44    4.51
   
       2642.98675220 
       2642.99015586 
       2642.98788676 
   
  
  
       3.06    3.11
       3.64    3.69
   
       2689.58510831 
       2689.54732953 
       2689.57251539 
   
  
  
       3.00    3.06
       3.58    3.65
   
       2676.43161391 
       2676.39084988 
       2676.41802590 
   
  
  
       3.84    3.89
       4.41    4.47
   
      -9952.11592221 
      -9952.11872580 
      -9952.11685674