vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 30 
  21:43:18 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.30587523       0.36376303       0.59793344 
           0.43461322       0.59997329       0.74934849 
           0.70320691       0.44456479       0.21057383 
           0.35908963       0.26864148       0.12780354 
           0.18354627       0.58844094       0.52227945 
           0.27522635       0.61604256       0.37845794 
           0.51148003       0.56901328       0.32496914 
           0.61115800       0.40850225       0.41356619 
           0.76624006       0.22455697       0.97054834 
           0.57086159       0.48171412       0.69388090 
           0.57618495       0.09432555       0.65593317 
           0.35090883       0.85853562       0.67254682 
   
  
  
           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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          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
       40
       -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
   
   
         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
     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
         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  
  
 
 
        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 
   
  
  
          0.30587523       0.36376303       0.59793344 
          0.43461322       0.59997329       0.74934849 
          0.70320691       0.44456479       0.21057383 
          0.35908963       0.26864148       0.12780354 
          0.18354627       0.58844094       0.52227945 
          0.27522635       0.61604256       0.37845794 
          0.51148003       0.56901328       0.32496914 
          0.61115800       0.40850225       0.41356619 
          0.76624006       0.22455697       0.97054834 
          0.57086159       0.48171412       0.69388090 
          0.57618495       0.09432555       0.65593317 
          0.35090883       0.85853562       0.67254682 
  
 
 
  
       4.24    4.31
       4.30    4.37
   
         23.83307581 
       -488.75265921 
      -3999.00794378 
        292.13325973 
       4104.28886790 
      -4141.72589677 
          0.01469685 
       -300.51957594 
       5082.48689363 
        572.75071823 
        572.73602138 
        572.74581928 
   
  
  
       5.34    5.35
       5.34    5.35
   
         66.34891642 
         66.35784042 
         66.35189109 
   
  
  
       4.39    4.39
       4.39    4.39
   
        -32.15198040 
        -32.10575615 
        -32.13657232 
   
  
  
       4.48    4.48
       4.48    4.48
   
        -35.62407734 
        -35.58826650 
        -35.61214039 
   
  
  
       5.00    5.01
       5.03    5.04
   
        -35.77270005 
        -35.75604353 
        -35.76714787 
   
  
  
       5.30    5.30
       5.37    5.38
   
        -45.30710605 
        -45.27471070 
        -45.29630760 
   
  
  
       4.66    4.67
       4.74    4.74
   
        -28.39132409 
        -28.40522289 
        -28.39595702 
   
  
  
       4.36    4.37
       4.44    4.45
   
        -26.85478468 
        -26.84208313 
        -26.85055083 
   
  
  
       4.85    4.86
       4.93    4.93
   
        -25.62813958 
        -25.62563170 
        -25.62730362 
   
  
  
       4.50    4.51
       4.57    4.59
   
        -24.23334095 
        -24.25636292 
        -24.24101494 
   
  
  
       4.30    4.31
       4.37    4.39
   
        -23.97034289 
        -23.98736177 
        -23.97601585 
   
  
  
       5.80    5.80
       5.87    5.88
   
        -23.90936853 
        -23.92510844 
        -23.91461517 
   
  
  
       4.39    4.40
       4.47    4.47
   
        -23.24707369 
        -23.19211700 
        -23.22875479 
   
  
  
       4.37    4.37
       4.44    4.45
   
        -23.11772649 
        -23.07646564 
        -23.10397287 
   
  
  
       4.91    4.92
       4.99    5.00
   
        -22.81347691 
        -22.71822322 
        -22.78172568 
   
  
  
       4.76    4.77
       4.84    4.85
   
        -22.73436411 
        -22.73349925 
        -22.73407583 
   
  
  
       5.27    5.28
       5.35    5.36
   
        -23.91550976 
        -23.96988762 
        -23.93363571 
   
  
  
       4.06    4.07
       4.14    4.15
   
        -23.64380379 
        -23.63624367 
        -23.64128375 
   
  
  
       4.26    4.28
       4.33    4.36
   
        -22.85207753 
        -22.81121432 
        -22.83845646 
   
  
  
       3.97    3.98
       4.05    4.06
   
        -22.50740661 
        -22.44222507 
        -22.48567943 
   
  
  
       4.57    4.57
       4.65    4.65
   
        -22.55991186 
        -22.48981538 
        -22.53654637 
   
  
  
       3.87    3.95
       3.94    4.02
   
        -22.88518054 
        -22.72752783 
        -22.83262964 
   
  
  
       3.23    3.24
       3.32    3.45
   
        -22.71766280 
        -22.55470497 
        -22.66334352 
   
  
  
       0.94    1.49
       1.02    1.63
   
        -22.54925189 
        -22.48600926 
        -22.52817101