vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 04 
  06:42:46 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      0.72000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000       8.00000000       0.00000000 
            0.00000000       0.00000000       8.00000000 
    
        640.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.12500000       0.00000000 
            0.00000000       0.00000000       0.12500000 
    
   
   
           0.38406872       0.42479549       0.53442381 
           0.44075499       0.52914882       0.39472865 
           0.58144417       0.52232970       0.32909402 
           0.35114126       0.58487308       0.28447425 
           0.26209950       0.48363038       0.57848823 
           0.36830706       0.26126488       0.48750302 
           0.61504077       0.67063559       0.25797217 
           0.67014064       0.48769765       0.45223292 
           0.59500834       0.40211715       0.20824768 
           0.46453026       0.42654959       0.67055951 
           0.46888940       0.81795190       0.56328660 
           0.44696505       0.90708010       0.55683080 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       44
       -1
       -1
        63.00000000
        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  
          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
           0.00000006
           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
   
  
  
       50
       40
       40
      100
       80
       80
    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
         0.77000000      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  
        12.01100000     18.99800000      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
        32.00000000
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
        12 
         3 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    F    2
    F    2
    F    2
    F    2
    F    2
    F    2
    F    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       7F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000       8.00000000       0.00000000 
           0.00000000       0.00000000       8.00000000 
   
       640.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.12500000       0.00000000 
           0.00000000       0.00000000       0.12500000 
   
  
  
          0.38406872       0.42479549       0.53442381 
          0.44075499       0.52914882       0.39472865 
          0.58144417       0.52232970       0.32909402 
          0.35114126       0.58487308       0.28447425 
          0.26209950       0.48363038       0.57848823 
          0.36830706       0.26126488       0.48750302 
          0.61504077       0.67063559       0.25797217 
          0.67014064       0.48769765       0.45223292 
          0.59500834       0.40211715       0.20824768 
          0.46453026       0.42654959       0.67055951 
          0.46888940       0.81795190       0.56328660 
          0.44696505       0.90708010       0.55683080 
  
 
 
  
      10.40   10.49
      10.58   10.67
   
         23.83307581 
       1507.37218285 
      -5867.10851283 
        306.53851922 
       4102.18079837 
      -4139.55860478 
         -0.00144802 
       -427.69294920 
       5082.48689363 
        588.04995505 
        588.05140307 
        588.05043773 
   
  
  
      12.67   12.68
      12.67   12.68
   
         34.98832628 
         34.98523619 
         34.98729625 
   
  
  
      10.56   10.57
      10.56   10.57
   
        -52.09166954 
        -52.09847141 
        -52.09393683 
   
  
  
      11.23   11.24
      11.23   11.25
   
        -53.56153956 
        -53.56738561 
        -53.56348824 
   
  
  
      11.53   11.53
      11.56   11.57
   
        -53.60040704 
        -53.60625737 
        -53.60235715 
   
  
  
      11.70   11.70
      11.87   11.88
   
      -7791.17068508 
      -7791.14547631 
      -7791.16228216 
   
  
  
      11.08   11.09
      11.25   11.27
   
      -1897.63050601 
      -1897.62649387 
      -1897.62916863 
   
  
  
      10.54   10.55
      10.72   10.72
   
        -25.31443002 
        -25.30779405 
        -25.31221803 
   
  
  
      10.43   10.44
      10.61   10.61
   
        -43.35812431 
        -43.36049928 
        -43.35891597 
   
  
  
      10.75   10.76
      10.92   10.93
   
        -54.62761997 
        -54.63388725 
        -54.62970906 
   
  
  
      10.07   10.08
      10.24   10.25
   
        -59.17182128 
        -59.17768638 
        -59.17377631 
   
  
  
      11.08   11.09
      11.26   11.26
   
        -60.22315687 
        -60.22901639 
        -60.22511004 
   
  
  
      10.88   10.90
      11.06   11.08
   
        -60.54077060 
        -60.54662388 
        -60.54272169 
   
  
  
      11.12   11.14
      11.30   11.31
   
        -60.71697577 
        -60.72282426 
        -60.71892527 
   
  
  
      10.34   10.35
      10.51   10.52
   
        -57.82729010 
        -57.83313799 
        -57.82923940 
   
  
  
      13.29   13.29
      13.46   13.47
   
      -4318.86864918 
      -4318.80249009 
      -4318.84659615 
   
  
  
       9.62    9.63
       9.79    9.80
   
        -52.90143650 
        -52.90785775 
        -52.90357692 
   
  
  
      10.60   10.61
      10.77   10.78
   
        -59.85460222 
        -59.86046133 
        -59.85655525 
   
  
  
      10.12   10.14
      10.31   10.33
   
        -61.52736079 
        -61.53320815 
        -61.52930991 
   
  
  
       9.14    9.16
       9.30    9.33
   
        -60.10830151 
        -60.11415885 
        -60.11025396 
   
  
  
       7.76    7.81
       7.93    7.98
   
        -61.14182182 
        -61.14766879 
        -61.14377081 
   
  
  
       5.38    5.47
       5.54    5.64
   
        -60.59890185 
        -60.60474924 
        -60.60085098 
   
  
  
       2.79    2.87
       2.96    3.06
   
        -58.61515280 
        -58.62100031 
        -58.61710197 
   
  
  
       2.06    2.07
       2.22    2.23
   
        -60.43240432 
        -60.43825305 
        -60.43435389 
   
  
  
       0.94    0.95
       1.09    1.10
   
        -59.99702228 
        -60.00286986 
        -59.99897147 
   
  
  
       0.80    0.91
       0.95    1.07
   
        -58.60827615 
        -58.61412365 
        -58.61022531 
   
  
  
       0.73    0.73
       0.89    0.89
   
        -59.08374668 
        -59.08959416 
        -59.08569584 
   
  
  
       0.67    0.68
       0.83    0.83
   
        -60.00735295 
        -60.01320050 
        -60.00930213 
   
  
  
       0.72    0.72
       0.88    0.88
   
        -56.14969889 
        -56.16204002 
        -56.15381260 
   
  
  
       0.71    0.72
       0.87    0.87
   
        -60.37458281 
        -60.38043060 
        -60.37653207 
   
  
  
       0.71    0.72
       0.87    0.88
   
        -60.48737491 
        -60.49322289 
        -60.48932424 
   
  
  
       0.97    0.98
       1.13    1.14
   
     -14075.48998751 
     -14075.47770841 
     -14075.48589448 
   
  
  
       0.71    0.71
       0.87    0.87
   
        -43.10948585 
        -43.10644269 
        -43.10847146 
   
  
  
       0.75    0.75
       0.90    0.91
   
        -53.97917513 
        -53.98530212 
        -53.98121746 
   
  
  
       0.75    0.76
       0.91    0.92
   
        -61.38112195 
        -61.38696876 
        -61.38307089 
   
  
  
       0.77    0.78
       0.93    0.94
   
        -62.89286616 
        -62.89869852 
        -62.89481028 
   
  
  
       0.98    0.99
       1.15    1.15
   
     -54695.29017936 
     -54695.28620088 
     -54695.28885320 
   
  
  
       0.73    0.74
       0.89    0.90
   
     -94126.80913033 
     -94126.79828598 
     -94126.80551555 
   
  
  
       0.76    0.77
       0.92    0.93
   
        -43.75500612 
        -43.75486279 
        -43.75495835 
   
  
  
       0.75    0.76
       0.92    0.92
   
        -58.51013340 
        -58.51653682 
        -58.51226787 
   
  
  
       0.76    0.77
       0.93    0.93
   
        -60.29819338 
        -60.30404070 
        -60.30014248 
   
  
  
       0.80    0.80
       0.96    0.96
   
        -60.29336736 
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       0.78    0.79
       0.95    0.95
   
        -60.13538884 
        -60.14124539 
        -60.13734102 
   
  
  
       0.78    0.78
       0.95    0.95
   
        -60.85305234 
        -60.85889956 
        -60.85500141 
   
  
  
       0.76    0.77
       0.93    0.94
   
        -60.61336049 
        -60.61920889 
        -60.61530996 
   
  
  
       0.78    0.78
       0.94    0.95
   
        -60.57363002 
        -60.57947846 
        -60.57557950 
   
  
  
       0.77    0.77
       0.93    0.94
   
        -60.56110266 
        -60.56695106 
        -60.56305213 
   
  
  
       0.80    0.80
       0.96    0.97
   
        -60.55770943 
        -60.56355784 
        -60.55965890 
   
  
  
       0.75    0.75
       0.91    0.92
   
        -60.55624515 
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        -60.55819463 
   
  
  
       0.78    0.79
       0.95    0.96
   
        -60.55511362 
        -60.56096210 
        -60.55706311 
   
  
  
       0.68    0.68
       0.84    0.85
   
        -62.22725561 
        -62.23309648 
        -62.22920257 
   
  
  
       0.72    0.73
       0.89    0.90
   
        -67.54509391 
        -67.52026121 
        -67.53681634 
   
  
  
       0.69    0.69
       0.86    0.86
   
        -64.23381731 
        -64.23964766 
        -64.23576076 
   
  
  
       0.66    0.66
       0.83    0.83
   
        -61.06549725 
        -61.07134203 
        -61.06744551 
   
  
  
       0.78    0.78
       0.95    0.95
   
        -60.55103195 
        -60.55688032 
        -60.55298141 
   
  
  
       0.77    0.77
       0.94    0.94
   
        -60.55510379 
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        -60.55705329 
   
  
  
       1.01    1.01
       1.17    1.18
   
    -321099.19035857 
    -321099.19378409 
    -321099.19150041 
   
  
  
       0.75    0.76
       0.92    0.92
   
         95.56120488 
         95.55714786 
         95.55985254 
   
  
  
       0.77    0.78
       0.94    0.95
   
        -46.56291133 
        -46.56364158 
        -46.56315475 
   
  
  
       0.76    0.77
       0.93    0.94
   
        -59.97974746 
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       0.66    0.66
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       0.76    0.77
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       0.77    0.77
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       0.79    0.79
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       0.75    0.75
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       0.79    0.80
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       0.76    0.77
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       0.71    0.72
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       0.72    0.73
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        -61.15575223 
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       0.70    0.71
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       0.68    0.69
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       0.74    0.75
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        -60.59861445 
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       0.76    0.77
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        -60.59499055 
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       0.73    0.74
       0.90    0.91
   
        -60.58868288 
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       0.85    0.85
       1.02    1.02
   
     -14559.57647772 
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       0.75    0.76
       0.92    0.93
   
       -204.15689710 
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       0.80    0.81
       0.97    0.97
   
       -165.05802327 
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       0.79    0.80
       0.96    0.96
   
       -107.72889375 
       -107.71296240 
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       0.81    0.82
       0.98    0.98
   
       -114.03105191 
       -114.02614255 
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       0.77    0.78
       0.94    0.94
   
       -133.71052431 
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       0.78    0.79
       0.95    0.95
   
       -143.22509838 
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       0.79    0.80
       0.96    0.97
   
       -163.74503834 
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       0.76    0.76
       0.92    0.93
   
       -147.02866476 
       -147.02255198 
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       0.77    0.78
       0.94    0.94
   
       -159.69409144 
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       0.74    0.74
       0.91    0.91
   
       -139.68632437 
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       -139.68017094 
   
  
  
       0.74    0.75
       0.91    0.91
   
       -140.98909249 
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       0.74    0.74
       0.90    0.91
   
       -129.02354268 
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       -129.02066630 
   
  
  
       0.74    0.75
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      -1169.08034864 
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       0.73    0.74
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       0.72    0.73
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       0.75    0.76
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       0.75    0.75
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    **************** 
    **************** 
    **************** 
   
  
  
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