vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  17:19:59 
 
 
  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 
    
   
   
           0.00931555       0.09090853       0.50471211 
           0.93521095       0.15217696       0.57640541 
           0.98242720       0.96349548       0.76524643 
           0.12362035       0.71148422       0.54043325 
           0.96234047       0.50260784       0.68487288 
           0.19316260       0.88445388       0.68793031 
           0.01063647       0.25573417       0.53641717 
           0.96002959       0.02578486       0.75127730 
           0.19113777       0.95769289       0.61184055 
           0.54554378       0.69667496       0.58015382 
           0.60370097       0.70957794       0.15800230 
           0.65397954       0.08639431       0.60679931 
           0.54497722       0.87368451       0.78686190 
           0.04271151       0.89265249       0.06839664 
           0.03733010       0.56950675       0.84900571 
           0.03178975       0.42261281       0.39586509 
           0.78362327       0.79487500       0.11241751 
           0.78796928       0.25152853       0.60809751 
           0.46017220       0.71435511       0.45996622 
           0.64480087       0.89387624       0.50563260 
           0.11471142       0.71692403       0.55964049 
           0.82672793       0.23347810       0.16138942 
           0.31897351       0.34089961       0.79080847 
           0.12534165       0.35016082       0.86310296 
           0.01826878       0.23512003       0.83688767 
           0.75158243       0.32996187       0.90071745 
           0.75411846       0.20849300       0.35521463 
           0.07547555       0.72995572       0.60721543 
           0.13955979       0.61932278       0.99091188 
           0.77199776       0.64159327       0.63354585 
           0.70794180       0.15895821       0.91988679 
           0.98751606       0.36011763       0.82410078 
           0.03930841       0.55702744       0.92866004 
           0.56601107       0.65652248       0.28834763 
           0.01797195       0.33237450       0.07126453 
   
  
  
           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 
   
  
  
          0.00931555       0.09090853       0.50471211 
          0.93521095       0.15217696       0.57640541 
          0.98242720       0.96349548       0.76524643 
          0.12362035       0.71148422       0.54043325 
          0.96234047       0.50260784       0.68487288 
          0.19316260       0.88445388       0.68793031 
          0.01063647       0.25573417       0.53641717 
          0.96002959       0.02578486       0.75127730 
          0.19113777       0.95769289       0.61184055 
          0.54554378       0.69667496       0.58015382 
          0.60370097       0.70957794       0.15800230 
          0.65397954       0.08639431       0.60679931 
          0.54497722       0.87368451       0.78686190 
          0.04271151       0.89265249       0.06839664 
          0.03733010       0.56950675       0.84900571 
          0.03178975       0.42261281       0.39586509 
          0.78362327       0.79487500       0.11241751 
          0.78796928       0.25152853       0.60809751 
          0.46017220       0.71435511       0.45996622 
          0.64480087       0.89387624       0.50563260 
          0.11471142       0.71692403       0.55964049 
          0.82672793       0.23347810       0.16138942 
          0.31897351       0.34089961       0.79080847 
          0.12534165       0.35016082       0.86310296 
          0.01826878       0.23512003       0.83688767 
          0.75158243       0.32996187       0.90071745 
          0.75411846       0.20849300       0.35521463 
          0.07547555       0.72995572       0.60721543 
          0.13955979       0.61932278       0.99091188 
          0.77199776       0.64159327       0.63354585 
          0.70794180       0.15895821       0.91988679 
          0.98751606       0.36011763       0.82410078 
          0.03930841       0.55702744       0.92866004 
          0.56601107       0.65652248       0.28834763 
          0.01797195       0.33237450       0.07126453 
  
 
 
  
       6.11    6.22
       6.62    6.73
   
         24.76344702 
        333.23812638 
      -2354.90476547 
       -291.12411391 
       3170.77583059 
      -2609.60722799 
         -0.00174966 
       -206.94962792 
       3755.32434067 
       1821.51425971 
       1821.51600938 
       1821.51484293 
   
  
  
       8.27    8.33
       8.28    8.33
   
       1034.84348253 
       1034.85574409 
       1034.84756972 
   
  
  
       8.39    8.45
       8.39    8.45
   
        794.17604695 
        794.17483638 
        794.17564343 
   
  
  
       6.62    6.67
       6.62    6.67
   
        751.02449120 
        751.00265156 
        751.01721132 
   
  
  
       6.51    6.57
       6.63    6.69
   
        742.57474236 
        742.55876859 
        742.56941777 
   
  
  
       6.75    6.81
       7.32    7.38
   
        914.53811047 
        914.56400846 
        914.54674314 
   
  
  
       6.67    6.73
       7.24    7.30
   
        909.42991089 
        909.40678677 
        909.42220285 
   
  
  
       7.39    7.45
       7.95    8.01
   
        898.17581828 
        898.21858599 
        898.19007418 
   
  
  
       6.61    6.67
       7.16    7.23
   
        921.23398668 
        921.22117846 
        921.22971727 
   
  
  
       6.84    6.90
       7.40    7.46
   
        919.86020394 
        919.85152807 
        919.85731199 
   
  
  
       7.89    7.95
       8.45    8.51
   
        923.54003818 
        923.56465012 
        923.54824216 
   
  
  
       7.15    7.25
       7.72    7.81
   
        923.68158882 
        923.64164704 
        923.66827489 
   
  
  
       7.46    7.52
       8.03    8.10
   
        921.88038107 
        921.87800200 
        921.87958805 
   
  
  
       6.63    6.69
       7.20    7.27
   
        921.95279622 
        921.94494599 
        921.95017948 
   
  
  
       6.97    7.03
       7.54    7.60
   
        922.55779961 
        922.55993502 
        922.55851142 
   
  
  
       7.47    7.53
       8.05    8.11
   
        914.47247270 
        914.53806180 
        914.49433573 
   
  
  
       7.69    7.75
       8.28    8.34
   
        921.35481113 
        921.36950788 
        921.35971005 
   
  
  
       7.38    7.46
       7.97    8.05
   
        921.44076862 
        921.43845744 
        921.43999822 
   
  
  
       7.55    7.60
       8.13    8.18
   
        923.26263020 
        923.25425793 
        923.25983944 
   
  
  
       6.62    6.68
       7.19    7.26
   
        923.15000596 
        923.14379668 
        923.14793620 
   
  
  
       7.17    7.22
       7.74    7.80
   
        922.95981356 
        922.97354220 
        922.96438977 
   
  
  
       6.45    6.50
       7.01    7.07
   
        922.79367563 
        922.77349570 
        922.78694899 
   
  
  
       6.50    6.56
       7.08    7.14
   
        922.89160228 
        922.87524394 
        922.88614950 
   
  
  
       6.12    6.18
       6.69    6.75
   
        922.74912236 
        922.73935362 
        922.74586611 
   
  
  
       6.64    6.70
       7.23    7.30
   
        922.73962340 
        922.73116935 
        922.73680539 
   
  
  
       6.08    6.15
       6.68    6.74
   
        922.76146579 
        922.73711350 
        922.75334836 
   
  
  
       5.70    5.77
       6.29    6.37
   
        924.22624851 
        924.20756010 
        924.22001904 
   
  
  
       5.88    5.93
       6.46    6.52
   
        923.02533827 
        923.00069645 
        923.01712433 
   
  
  
       5.82    5.87
       6.42    6.48
   
        923.11018061 
        923.09643369 
        923.10559830 
   
  
  
       5.66    5.73
       6.25    6.32
   
        925.30979423 
        925.30957044 
        925.30971963 
   
  
  
       5.70    5.75
       6.29    6.35
   
        952.05958944 
        952.04693964 
        952.05537284 
   
  
  
       7.44    7.50
       8.02    8.09
   
        952.23829661 
        952.22430585 
        952.23363302 
   
  
  
       6.79    6.84
       7.37    7.43
   
        953.87660813 
        953.86366807 
        953.87229478 
   
  
  
       6.25    6.32
       6.85    6.92
   
        952.52683812 
        952.51521156 
        952.52296260 
   
  
  
       7.84    7.90
       8.43    8.49
   
       -155.88811268 
       -155.86223514 
       -155.87948683 
   
  
  
       6.43    6.48
       7.02    7.08
   
        989.68358816 
        989.68365026 
        989.68360886 
   
  
  
       7.20    7.26
       7.79    7.85
   
        956.30320300 
        956.27369999 
        956.29336866 
   
  
  
       6.62    6.68
       7.24    7.30
   
       1031.39391486 
       1031.39648979 
       1031.39477317 
   
  
  
       6.18    6.24
       6.76    6.82
   
        975.87536849 
        975.84573282 
        975.86548993 
   
  
  
       5.92    5.98
       6.55    6.61
   
        976.53120246 
        976.52324485 
        976.52854992 
   
  
  
       5.10    5.16
       5.72    5.78
   
        980.45759274 
        980.42001684 
        980.44506744 
   
  
  
       5.83    5.89
       6.42    6.47
   
        960.35021797 
        960.31974803 
        960.34006133 
   
  
  
       5.60    5.66
       6.22    6.28
   
        978.47400743 
        978.48662206 
        978.47821231 
   
  
  
       5.55    5.60
       6.16    6.21
   
        983.60952032 
        983.59762860 
        983.60555641 
   
  
  
       3.61    3.67
       4.25    4.30
   
        980.50651910 
        980.49163071 
        980.50155630 
   
  
  
       3.23    3.28
       3.86    3.92
   
        981.84025635 
        981.83606612 
        981.83885961 
   
  
  
       3.64    3.69
       4.22    4.27
   
        979.73790551 
        979.69885935 
        979.72489012 
   
  
  
       3.17    3.22
       3.75    3.81
   
        984.85803339 
        984.82087641 
        984.84564773 
   
  
  
       3.24    3.29
       3.82    3.88
   
        659.02992920 
        659.00999628 
        659.02328489 
   
  
  
       3.40    3.45
       3.98    4.04
   
        578.88691901 
        578.86291126 
        578.87891642 
   
  
  
       3.31    3.36
       3.88    3.94
   
       1022.31313479 
       1022.37103340 
       1022.33243433 
   
  
  
       3.73    3.78
       4.31    4.36
   
       1009.12349335 
       1009.12144765 
       1009.12281145 
   
  
  
       3.87    3.92
       4.46    4.51
   
        979.57912862 
        979.58836202 
        979.58220642 
   
  
  
       3.65    3.70
       4.24    4.30
   
       1005.20363781 
       1005.21313984 
       1005.20680516 
   
  
  
       3.12    3.17
       3.70    3.76
   
        995.37736706 
        995.39701037 
        995.38391483 
   
  
  
       3.53    3.58
       4.10    4.16
   
     -15655.20146374 
     -15655.20776141 
     -15655.20356296 
   
  
  
       2.53    2.58
       3.09    3.15
   
       1579.28196453 
       1579.26459931 
       1579.27617612 
   
  
  
       2.11    2.16
       2.72    2.77
   
       1152.42628613 
       1152.44383109 
       1152.43213445 
   
  
  
       2.01    2.06
       2.61    2.67
   
       1163.83433207 
       1163.85367221 
       1163.84077878 
   
  
  
       2.15    2.20
       2.68    2.73
   
       1173.28797133 
       1173.27875240 
       1173.28489835 
   
  
  
       2.38    2.43
       2.91    2.96
   
      -1326.37237322 
      -1326.36728478 
      -1326.37067707 
   
  
  
       2.24    2.28
       2.76    2.81
   
        536.29733729 
        536.29886310 
        536.29784590 
   
  
  
       2.28    2.33
       2.81    2.86
   
       1234.88131988 
       1234.86598057 
       1234.87620678 
   
  
  
       1.91    1.96
       2.45    2.50
   
       1199.23242783 
       1199.25609125 
       1199.24031564 
   
  
  
       2.25    2.30
       2.79    2.84
   
       1240.39182673 
       1240.41069972 
       1240.39811773 
   
  
  
       1.99    2.04
       2.52    2.57
   
        986.58221517 
        986.58388003 
        986.58277013 
   
  
  
       2.07    2.12
       2.61    2.66
   
       1018.99259033 
       1018.96106686 
       1018.98208251 
   
  
  
       2.21    2.26
       2.75    2.80
   
       1036.39520372 
       1036.42769590 
       1036.40603445 
   
  
  
       2.21    2.26
       2.75    2.80
   
       1076.59226124 
       1076.60665672 
       1076.59705973 
   
  
  
       2.39    2.43
       2.92    2.97
   
     -20213.91269708 
     -20213.95105886 
     -20213.92548434