vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 02 
  09:58:46 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.72000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            8.34760000       0.00000000       0.00000000 
            0.00000000      17.99890000       0.00000000 
            0.00000000       0.00000000       4.17380000 
    
        627.10350651 
    
            0.11979491       0.00000000       0.00000000 
            0.00000000       0.05555895       0.00000000 
            0.00000000       0.00000000       0.23958982 
    
   
   
           0.35817341       0.99299445       0.21596418 
           0.49764364       0.60810129       0.12602799 
           0.38888135       0.86328917       0.68078247 
           0.22284376       0.05174225       0.53099289 
           0.21104835       0.41834344       0.74194604 
           0.35274247       0.05667367       0.74410246 
           0.44645626       0.33837490       0.42932125 
           0.85862424       0.51891650       0.09567681 
           0.80027639       0.95710482       0.73522140 
           0.84844469       0.75231957       0.96297489 
           0.71351057       0.59213311       0.49031458 
           0.39742082       0.76124950       0.75750071 
           0.58011143       0.24248029       0.58126076 
           0.58495892       0.84731865       0.33409177 
           0.02046369       0.64858872       0.46140092 
           0.32532214       0.00114276       0.31559114 
           0.04469954       0.82993266       0.26362507 
           0.49893710       0.80099925       0.28591645 
           0.57986454       0.76193511       0.61521955 
           0.77826871       0.80278823       0.26556910 
           0.45781106       0.63224284       0.66763115 
           0.32242960       0.17855540       0.06703495 
           0.47448826       0.73503162       0.65062251 
           0.66405019       0.78122285       0.63889052 
           0.22651651       0.69802288       0.42599460 
           0.43270109       0.81973813       0.86966487 
           0.01334900       0.79416598       0.68374604 
           0.05996567       0.87677987       0.61255322 
           0.36710228       0.82709855       0.58506236 
           0.19712346       0.17435622       0.02257640 
           0.04866924       0.97192077       0.12765961 
           0.92233051       0.73419753       0.29744456 
           0.83356156       0.20116616       0.11421281 
           0.80875734       0.13262211       0.24144544 
           0.95531090       0.62585500       0.19265242 
           0.48524440       0.15372104       0.41750443 
           0.68307525       0.59479464       0.37589544 
           0.76859656       0.95018776       0.11731343 
           0.11267328       0.08288758       0.90058649 
   
  
  
           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 
          36 
          37 
          38 
          39 
  
 
 
  
          2        1        4 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.25000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.25000000 
          0.50000000       0.00000000       0.25000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.25000000 
          0.25000000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       613.61400000
         0.00001000
       38
       10
      120
       -1
       -1
       201.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -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
           0.00000002
           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
   
  
  
       42
       90
       20
       84
      180
       40
    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      0.72000000      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     18.99800000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
         9.64774625
         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  
  
 
 
        39 
         4 
  
   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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    F    3
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      12Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      24O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           8.34760000       0.00000000       0.00000000 
           0.00000000      17.99890000       0.00000000 
           0.00000000       0.00000000       4.17380000 
   
       627.10350651 
   
           0.11979491       0.00000000       0.00000000 
           0.00000000       0.05555895       0.00000000 
           0.00000000       0.00000000       0.23958982 
   
  
  
          0.35817341       0.99299445       0.21596418 
          0.49764364       0.60810129       0.12602799 
          0.38888135       0.86328917       0.68078247 
          0.22284376       0.05174225       0.53099289 
          0.21104835       0.41834344       0.74194604 
          0.35274247       0.05667367       0.74410246 
          0.44645626       0.33837490       0.42932125 
          0.85862424       0.51891650       0.09567681 
          0.80027639       0.95710482       0.73522140 
          0.84844469       0.75231957       0.96297489 
          0.71351057       0.59213311       0.49031458 
          0.39742082       0.76124950       0.75750071 
          0.58011143       0.24248029       0.58126076 
          0.58495892       0.84731865       0.33409177 
          0.02046369       0.64858872       0.46140092 
          0.32532214       0.00114276       0.31559114 
          0.04469954       0.82993266       0.26362507 
          0.49893710       0.80099925       0.28591645 
          0.57986454       0.76193511       0.61521955 
          0.77826871       0.80278823       0.26556910 
          0.45781106       0.63224284       0.66763115 
          0.32242960       0.17855540       0.06703495 
          0.47448826       0.73503162       0.65062251 
          0.66405019       0.78122285       0.63889052 
          0.22651651       0.69802288       0.42599460 
          0.43270109       0.81973813       0.86966487 
          0.01334900       0.79416598       0.68374604 
          0.05996567       0.87677987       0.61255322 
          0.36710228       0.82709855       0.58506236 
          0.19712346       0.17435622       0.02257640 
          0.04866924       0.97192077       0.12765961 
          0.92233051       0.73419753       0.29744456 
          0.83356156       0.20116616       0.11421281 
          0.80875734       0.13262211       0.24144544 
          0.95531090       0.62585500       0.19265242 
          0.48524440       0.15372104       0.41750443 
          0.68307525       0.59479464       0.37589544 
          0.76859656       0.95018776       0.11731343 
          0.11267328       0.08288758       0.90058649 
  
 
 
  
      10.39   10.45
      10.47   10.53
   
        220.12430006 
       9916.42213941 
     -20366.04323150 
        601.25392774 
       9918.14890617 
      -9755.31695524 
         -0.01537455 
       -693.37313735 
      12295.51263302 
       2136.71320777 
       2136.72858232 
       2136.71833262 
   
  
  
      12.35   12.35
      12.35   12.35
   
        532.98576678 
        532.98224878 
        532.98459411 
   
  
  
      11.46   11.46
      11.46   11.46
   
        350.12183304 
        350.13797692 
        350.12721434 
   
  
  
      12.36   12.37
      12.37   12.37
   
        341.96857770 
        341.98974790 
        341.97563443 
   
  
  
      11.87   11.87
      11.89   11.90
   
        341.63818636 
        341.65800624 
        341.64479299 
   
  
  
      12.63   12.64
      12.72   12.73
   
        392.14811716 
        392.15725744 
        392.15116392 
   
  
  
      15.83   15.83
      15.92   15.92
   
       -370.65129651 
       -370.66033323 
       -370.65430875 
   
  
  
      13.44   13.44
      13.53   13.53
   
        322.32251232 
        322.31018389 
        322.31840284 
   
  
  
      12.04   12.05
      12.13   12.14
   
        460.48962105 
        460.49295079 
        460.49073097 
   
  
  
      12.45   12.45
      12.54   12.55
   
        414.78633471 
        414.78112426 
        414.78459789 
   
  
  
      11.89   11.89
      11.98   11.99
   
        407.69367669 
        407.67853529 
        407.68862956 
   
  
  
      12.57   12.57
      12.66   12.66
   
        434.97041279 
        434.95557280 
        434.96546613 
   
  
  
      11.77   11.77
      11.86   11.87
   
        415.12722826 
        415.13359965 
        415.12935205 
   
  
  
      11.53   11.53
      11.62   11.62
   
        410.51093200 
        410.52889301 
        410.51691900 
   
  
  
      11.24   11.24
      11.32   11.33
   
        407.34098690 
        407.40021226 
        407.36072869 
   
  
  
      11.04   11.05
      11.13   11.13
   
        393.58841388 
        393.58540896 
        393.58741224 
   
  
  
      11.28   11.28
      11.37   11.37
   
        289.20090135 
        289.20813764 
        289.20331345 
   
  
  
      10.83   10.83
      10.92   10.92
   
        353.48446054 
        353.48793651 
        353.48561920 
   
  
  
      10.99   11.00
      11.09   11.09
   
        414.64015309 
        414.65077167 
        414.64369262 
   
  
  
      11.47   11.48
      11.56   11.57
   
        420.76411377 
        420.80607946 
        420.77810233 
   
  
  
      11.55   11.55
      11.63   11.64
   
        420.71076178 
        420.72971214 
        420.71707857 
   
  
  
      11.03   11.03
      11.13   11.13
   
        410.58059032 
        410.58005525 
        410.58041196 
   
  
  
      11.44   11.44
      11.53   11.54
   
        406.90824324 
        406.91086381 
        406.90911676 
   
  
  
      11.08   11.08
      11.17   11.17
   
        369.38110584 
        369.40739074 
        369.38986747 
   
  
  
      11.27   11.27
      11.36   11.36
   
        374.21024663 
        374.21142675 
        374.21064000 
   
  
  
      10.91   10.91
      11.00   11.00
   
        374.38027266 
        374.38186040 
        374.38080191 
   
  
  
      10.42   10.43
      10.51   10.52
   
        390.15451835 
        390.15748837 
        390.15550836 
   
  
  
      11.55   11.55
      11.64   11.65
   
        385.87725009 
        385.90547276 
        385.88665765 
   
  
  
      12.16   12.16
      12.25   12.26
   
        173.03932798 
        173.03080309 
        173.03648635 
   
  
  
      12.15   12.16
      12.24   12.25
   
        169.45243142 
        169.49390237 
        169.46625507 
   
  
  
      11.70   11.70
      11.79   11.79
   
        182.81001453 
        182.77655437 
        182.79886114 
   
  
  
      11.11   11.11
      11.20   11.21
   
        189.78576356 
        189.81220031 
        189.79457581 
   
  
  
       9.78    9.78
       9.87    9.87
   
      -9418.52639504 
      -9418.49087127 
      -9418.51455379 
   
  
  
      13.14   13.14
      13.23   13.23
   
    **************** 
    **************** 
    **************** 
   
  
  
      12.58   12.59
      12.67   12.67
   
    **************** 
    **************** 
    **************** 
   
  
  
      11.48   11.49
      11.57   11.57
   
    **************** 
    **************** 
    **************** 
   
  
  
       9.27    9.27
       9.36    9.36
   
    **************** 
    **************** 
    **************** 
   
  
  
      10.39   10.39
      10.48   10.49
   
      -3827.91834160 
      -3827.91732032 
      -3827.91800118 
   
  
  
      12.04   12.04
      12.13   12.13
   
     -13831.25074641 
     -13831.25726918 
     -13831.25292067 
   
  
  
       8.86    8.89
       8.95    8.99
   
    **************** 
    **************** 
    **************** 
   
  
  
       9.65    9.65
       9.74    9.74
   
      -9223.76459718 
      -9223.75441858 
      -9223.76120431 
   
  
  
      10.28   10.28
      10.37   10.37
   
      -8600.91988294 
      -8600.90228975 
      -8600.91401854 
   
  
  
       8.37    8.38
       8.46    8.47
   
     -18571.26697298 
     -18571.26919596 
     -18571.26771397 
   
  
  
       8.99    9.00
       9.08    9.09
   
     -55579.41337393 
     -55579.42483223 
     -55579.41719336 
   
  
  
       9.32    9.35
       9.41    9.44
   
     -97815.99647902 
     -97816.00363566 
     -97815.99886456 
   
  
  
       8.25    8.25
       8.34    8.35
   
     -16898.30525699 
     -16898.29931242 
     -16898.30327547 
   
  
  
       8.11    8.12
       8.20    8.20
   
     -64922.88089413 
     -64922.89281936 
     -64922.88486921 
   
  
  
       8.17    8.18
       8.26    8.26
   
     -84520.40962999 
     -84520.38736615 
     -84520.40220871 
   
  
  
       7.42    7.42
       7.51    7.51
   
    -123098.09229656 
    -123098.09473874 
    -123098.09311062 
   
  
  
       7.30    7.30
       7.38    7.39
   
    -484049.94426600 
    -484049.93695920 
    -484049.94183040 
   
  
  
       6.78    6.79
       6.87    6.88
   
     -12468.98164019 
     -12468.96618276 
     -12468.97648771 
   
  
  
       5.97    6.06
       6.06    6.15
   
     -46438.27332367 
     -46438.27686075 
     -46438.27450270 
   
  
  
       6.74    6.74
       6.82    6.82
   
    **************** 
    **************** 
    **************** 
   
  
  
       6.18    6.19
       6.27    6.27
   
    -230391.87131635 
    -230391.88040473 
    -230391.87434581 
   
  
  
       5.93    5.94
       6.01    6.02
   
      -8933.35380987 
      -8933.35243391 
      -8933.35335122 
   
  
  
       4.54    4.56
       4.62    4.64
   
    -658155.35378974 
    -658155.32946037 
    -658155.34567995 
   
  
  
       4.14    4.14
       4.22    4.22
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.54    4.54
       4.62    4.62
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.43    4.44
       4.52    4.52
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.91    3.92
       3.99    4.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.86    3.87
       3.95    3.95
   
    -439937.51779088 
    -439937.51021494 
    -439937.51526557 
   
  
  
       2.69    2.69
       2.76    2.77
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.70    2.71
       2.78    2.79
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.70    2.70
       2.78    2.78
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.56    2.57
       2.64    2.65
   
    -735835.56414244 
    -735835.56932947 
    -735835.56587145 
   
  
  
       2.34    2.34
       2.42    2.42
   
    -311524.78973598 
    -311524.77700868 
    -311524.78549355 
   
  
  
       2.48    2.48
       2.56    2.56
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.43    2.43
       2.51    2.51
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.73    2.74
       2.82    2.82
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.63    2.63
       2.71    2.71
   
    -936249.68478192 
    -936249.66671384 
    -936249.67875923 
   
  
  
       2.73    2.73
       2.81    2.81
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.43    2.43
       2.51    2.51
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.49    2.49
       2.57    2.57
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.67    2.67
       2.75    2.75
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.54    2.55
       2.62    2.63
   
    -770963.55001915 
    -770963.54540261 
    -770963.54848031 
   
  
  
       2.49    2.49
       2.57    2.57
   
    **************** 
    **************** 
    ****************