vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 02 
  16:02:35 
 
 
  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 
    
   
   
           0.58660672       0.56826969       0.93811659 
           0.90201996       0.09092617       0.20456778 
           0.90485571       0.51985322       0.93386748 
           0.32751097       0.09133544       0.43984978 
           0.60977734       0.41109128       0.89138692 
           0.01396633       0.64524240       0.19020938 
           0.38389142       0.19903344       0.21758530 
           0.69556678       0.16310181       0.55240325 
           0.56245530       0.32441317       0.64503969 
           0.64585430       0.96163187       0.56762211 
           0.22782197       0.28007909       0.66108853 
           0.29146225       0.12768471       0.58260546 
           0.30008476       0.09854921       0.34856891 
           0.47282717       0.92233467       0.77593190 
           0.73969172       0.07223417       0.71543508 
           0.23939006       0.83638122       0.53005315 
           0.42533483       0.30494112       0.29030732 
           0.61911489       0.28770505       0.45975029 
           0.10043345       0.81478886       0.26762276 
           0.36738687       0.02655943       0.20364321 
           0.53427351       0.65194718       0.62126796 
           0.94636991       0.16880662       0.77214446 
           0.01689089       0.19374987       0.27419506 
           0.82826891       0.73431360       0.22038669 
           0.82786147       0.48589689       0.81574967 
           0.10558179       0.75162811       0.17487277 
           0.74817954       0.11658508       0.02708306 
           0.57025916       0.55777933       0.41938265 
           0.83203051       0.39363108       0.36754501 
           0.53422709       0.46811166       0.33807648 
           0.20697625       0.52614998       0.13354122 
           0.05240390       0.29752306       0.26414531 
           0.08417148       0.47528006       0.21692234 
           0.05912875       0.44259434       0.28452619 
           0.21742922       0.08374309       0.38872423 
           0.39372386       0.82146269       0.34591303 
           0.00864129       0.32904750       0.30033849 
           0.88192926       0.18915040       0.38755883 
           0.21717528       0.09001521       0.46178927 
   
  
  
           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 
   
  
  
          0.58660672       0.56826969       0.93811659 
          0.90201996       0.09092617       0.20456778 
          0.90485571       0.51985322       0.93386748 
          0.32751097       0.09133544       0.43984978 
          0.60977734       0.41109128       0.89138692 
          0.01396633       0.64524240       0.19020938 
          0.38389142       0.19903344       0.21758530 
          0.69556678       0.16310181       0.55240325 
          0.56245530       0.32441317       0.64503969 
          0.64585430       0.96163187       0.56762211 
          0.22782197       0.28007909       0.66108853 
          0.29146225       0.12768471       0.58260546 
          0.30008476       0.09854921       0.34856891 
          0.47282717       0.92233467       0.77593190 
          0.73969172       0.07223417       0.71543508 
          0.23939006       0.83638122       0.53005315 
          0.42533483       0.30494112       0.29030732 
          0.61911489       0.28770505       0.45975029 
          0.10043345       0.81478886       0.26762276 
          0.36738687       0.02655943       0.20364321 
          0.53427351       0.65194718       0.62126796 
          0.94636991       0.16880662       0.77214446 
          0.01689089       0.19374987       0.27419506 
          0.82826891       0.73431360       0.22038669 
          0.82786147       0.48589689       0.81574967 
          0.10558179       0.75162811       0.17487277 
          0.74817954       0.11658508       0.02708306 
          0.57025916       0.55777933       0.41938265 
          0.83203051       0.39363108       0.36754501 
          0.53422709       0.46811166       0.33807648 
          0.20697625       0.52614998       0.13354122 
          0.05240390       0.29752306       0.26414531 
          0.08417148       0.47528006       0.21692234 
          0.05912875       0.44259434       0.28452619 
          0.21742922       0.08374309       0.38872423 
          0.39372386       0.82146269       0.34591303 
          0.00864129       0.32904750       0.30033849 
          0.88192926       0.18915040       0.38755883 
          0.21717528       0.09001521       0.46178927 
  
 
 
  
       9.89    9.96
       9.97   10.03
   
        220.12430006 
       -519.28795901 
      -9787.69792588 
        608.12810331 
       9918.14890617 
      -9755.31695524 
          0.00997844 
       -790.09612923 
      12295.51263302 
       2189.52495165 
       2189.51497321 
       2189.52162550 
   
  
  
      11.89   11.90
      11.89   11.90
   
        592.88532466 
        592.88738698 
        592.88601210 
   
  
  
      11.87   11.87
      11.87   11.87
   
        411.83852728 
        411.88101462 
        411.85268973 
   
  
  
      12.76   12.77
      12.76   12.77
   
        403.01638272 
        403.05786598 
        403.03021048 
   
  
  
      12.76   12.77
      12.78   12.79
   
        402.73283448 
        402.77364181 
        402.74643693 
   
  
  
      12.29   12.30
      12.38   12.39
   
        468.33174827 
        468.29720317 
        468.32023324 
   
  
  
      14.05   14.06
      14.14   14.15
   
       -208.72916411 
       -208.70481267 
       -208.72104696 
   
  
  
      15.48   15.49
      15.57   15.58
   
        239.73322063 
        239.74046408 
        239.73563511 
   
  
  
      13.70   13.70
      13.79   13.79
   
        429.05299129 
        429.04539684 
        429.05045981 
   
  
  
      12.68   12.68
      12.77   12.77
   
        468.64284563 
        468.66299431 
        468.64956186 
   
  
  
      12.12   12.12
      12.21   12.22
   
        496.60846808 
        496.62110562 
        496.61268059 
   
  
  
      11.80   11.81
      11.89   11.90
   
        491.97965955 
        492.00047569 
        491.98659826 
   
  
  
      12.21   12.22
      12.30   12.31
   
        476.56999053 
        476.54061401 
        476.56019836 
   
  
  
      11.60   11.61
      11.69   11.69
   
        476.65913189 
        476.63956285 
        476.65260888 
   
  
  
      11.28   11.29
      11.37   11.37
   
        474.37997715 
        474.40953294 
        474.38982908 
   
  
  
      11.93   11.93
      12.02   12.02
   
        486.53530296 
        486.58787185 
        486.55282592 
   
  
  
      11.71   11.72
      11.80   11.81
   
        485.64738124 
        485.66149764 
        485.65208671 
   
  
  
      10.43   10.44
      10.52   10.52
   
        485.63800452 
        485.65273871 
        485.64291592 
   
  
  
      11.34   11.35
      11.44   11.44
   
        487.10650281 
        487.09672602 
        487.10324388 
   
  
  
      11.04   11.04
      11.12   11.13
   
        486.64755173 
        486.68486950 
        486.65999098 
   
  
  
      10.75   10.75
      10.84   10.84
   
        458.78160617 
        458.82102580 
        458.79474605 
   
  
  
      10.96   10.96
      11.05   11.05
   
        443.18934273 
        443.21238784 
        443.19702443 
   
  
  
      10.65   10.65
      10.73   10.74
   
        390.57437285 
        390.55922029 
        390.56932199 
   
  
  
      11.67   11.67
      11.76   11.76
   
        480.31604249 
        480.36276567 
        480.33161688 
   
  
  
      11.07   11.07
      11.16   11.16
   
        477.44623665 
        477.47100353 
        477.45449228 
   
  
  
      11.84   11.84
      11.92   11.93
   
        468.38522716 
        468.41020061 
        468.39355164 
   
  
  
      11.17   11.18
      11.27   11.28
   
        460.56667193 
        460.52528442 
        460.55287610 
   
  
  
      10.86   10.86
      10.95   10.95
   
        457.58210229 
        457.54974169 
        457.57131542 
   
  
  
      11.35   11.35
      11.44   11.45
   
        399.73015371 
        399.75283021 
        399.73771254 
   
  
  
      11.86   11.86
      11.95   11.95
   
        380.06722326 
        380.03503194 
        380.05649282 
   
  
  
      11.26   11.26
      11.35   11.35
   
        326.49208231 
        326.47998041 
        326.48804834 
   
  
  
      12.41   12.42
      12.51   12.52
   
        309.94304210 
        309.92955432 
        309.93854617 
   
  
  
      10.54   10.54
      10.63   10.64
   
        258.18612373 
        258.17922764 
        258.18382504 
   
  
  
       8.38    8.38
       8.46    8.46
   
        246.12253444 
        246.13855439 
        246.12787442 
   
  
  
       8.99    9.00
       9.08    9.09
   
        222.73916310 
        222.75666667 
        222.74499762 
   
  
  
       8.33    8.34
       8.42    8.42
   
        213.27442161 
        213.28457483 
        213.27780602 
   
  
  
       8.09    8.10
       8.18    8.19
   
        261.68606741 
        261.68700411 
        261.68637964 
   
  
  
       7.30    7.30
       7.39    7.39
   
        227.15888392 
        227.14850055 
        227.15542280 
   
  
  
       5.54    5.58
       5.62    5.66
   
        201.58452648 
        201.54442208 
        201.57115834 
   
  
  
       3.57    3.62
       3.66    3.71
   
        156.47878734 
        156.46612265 
        156.47456577 
   
  
  
       2.37    2.37
       2.45    2.46
   
        143.04860464 
        143.05274360 
        143.04998429 
   
  
  
       2.16    2.17
       2.25    2.26
   
        136.02604315 
        136.02324115 
        136.02510915 
   
  
  
       1.47    1.47
       1.55    1.55
   
        143.82546544 
        143.82421150 
        143.82504746 
   
  
  
       0.73    0.74
       0.82    0.82
   
        179.93912820 
        179.92999413 
        179.93608351 
   
  
  
       0.77    0.85
       0.85    0.93
   
        181.79931598 
        181.79018217 
        181.79627138 
   
  
  
       0.77    0.77
       0.85    0.86
   
        171.09822882 
        171.09009597 
        171.09551787 
   
  
  
       0.67    0.68
       0.76    0.76
   
        210.70733428 
        210.71011382 
        210.70826080 
   
  
  
       0.77    0.77
       0.85    0.85
   
        227.63530589 
        227.65600993 
        227.64220724 
   
  
  
       0.96    0.96
       1.04    1.04
   
        206.95865476 
        206.95033273 
        206.95588075 
   
  
  
       0.68    0.69
       0.77    0.77
   
        233.08038623 
        233.08977219 
        233.08351489 
   
  
  
       0.74    0.74
       0.83    0.83
   
        424.63811911 
        424.66734110 
        424.64785977 
   
  
  
       0.78    0.78
       0.86    0.87
   
        241.78383626 
        241.76563323 
        241.77776858 
   
  
  
       0.91    0.91
       0.99    0.99
   
       -912.49683026 
       -912.49238960 
       -912.49535004 
   
  
  
       0.89    0.89
       0.98    0.98
   
      -7634.69600910 
      -7634.70178347 
      -7634.69793389 
   
  
  
       0.88    0.89
       0.97    0.97
   
      -1895.67131503 
      -1895.63120995 
      -1895.65794667 
   
  
  
       0.74    0.75
       0.83    0.83
   
        449.69939071 
        449.68108088 
        449.69328743 
   
  
  
       0.84    0.84
       0.92    0.92
   
        195.22143855 
        195.25254350 
        195.23180686 
   
  
  
       0.81    0.81
       0.89    0.90
   
        315.68271858 
        315.66906786 
        315.67816834 
   
  
  
       0.70    0.70
       0.78    0.78
   
        299.52572656 
        299.51949359 
        299.52364890 
   
  
  
       1.09    1.09
       1.17    1.17
   
    -293989.39431497 
    -293989.39967468 
    -293989.39610154 
   
  
  
       0.70    0.71
       0.79    0.79
   
        718.84286773 
        718.87040886 
        718.85204811 
   
  
  
       0.88    0.88
       0.96    0.96
   
        458.55359410 
        458.54599845 
        458.55106222 
   
  
  
       0.86    0.86
       0.94    0.94
   
        385.31154468 
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    **************** 
    **************** 
    **************** 
   
  
  
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    **************** 
    **************** 
    **************** 
   
  
  
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    **************** 
    **************** 
    ****************