vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 01 
  23:31:43 
 
 
  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 
    
   
   
           0.33117233       0.48004663       0.02481078 
           0.51952577       0.34846235       0.19750564 
           0.25710497       0.90044368       0.73352526 
           0.75847982       0.19191799       0.84244527 
           0.82014730       0.07575366       0.73130728 
           0.37074520       0.69345116       0.41590568 
           0.18380258       0.49558901       0.08136604 
           0.97424077       0.10725702       0.47848816 
           0.14507262       0.09754496       0.12885233 
           0.21801563       0.80524906       0.25735100 
           0.44660414       0.74563405       0.57306028 
           0.48410997       0.94245658       0.51922530 
   
  
  
           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 
   
  
  
          0.33117233       0.48004663       0.02481078 
          0.51952577       0.34846235       0.19750564 
          0.25710497       0.90044368       0.73352526 
          0.75847982       0.19191799       0.84244527 
          0.82014730       0.07575366       0.73130728 
          0.37074520       0.69345116       0.41590568 
          0.18380258       0.49558901       0.08136604 
          0.97424077       0.10725702       0.47848816 
          0.14507262       0.09754496       0.12885233 
          0.21801563       0.80524906       0.25735100 
          0.44660414       0.74563405       0.57306028 
          0.48410997       0.94245658       0.51922530 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       1.60    2.08
       1.66    2.14
   
         23.83307581 
      -1114.80073713 
      -3370.83058879 
        291.86294017 
       4104.28886790 
      -4141.72589677 
         -0.01371031 
       -338.26292141 
       5082.48689363 
        536.83792311 
        536.85163342 
        536.84249321 
   
  
  
       4.42    4.43
       4.42    4.43
   
         57.48678163 
         57.48370042 
         57.48575456 
   
  
  
       4.33    4.33
       4.33    4.33
   
        -35.98034234 
        -35.93013216 
        -35.96360561 
   
  
  
       4.01    4.01
       4.01    4.01
   
        -39.08838296 
        -39.03567908 
        -39.07081500 
   
  
  
       5.23    5.24
       5.26    5.26
   
        -39.20908730 
        -39.15628662 
        -39.19148707 
   
  
  
       4.48    4.48
       4.55    4.55
   
        -50.97764807 
        -50.87688101 
        -50.94405905 
   
  
  
       3.79    3.79
       3.86    3.87
   
        -30.52560250 
        -30.51825513 
        -30.52315338 
   
  
  
       3.97    3.98
       4.05    4.06
   
        -27.70606817 
        -27.69717581 
        -27.70310405 
   
  
  
       3.81    3.82
       3.88    3.89
   
        -23.73802165 
        -23.58276600 
        -23.68626977 
   
  
  
       3.99    4.00
       4.06    4.07
   
        -23.37339992 
        -23.39066324 
        -23.37915436 
   
  
  
       5.23    5.24
       5.30    5.31
   
        -23.11268689 
        -22.90680165 
        -23.04405848 
   
  
  
       3.70    3.70
       3.78    3.79
   
        -23.07498737 
        -22.87084445 
        -23.00693973 
   
  
  
       4.24    4.25
       4.32    4.32
   
        -23.62456390 
        -23.47128630 
        -23.57347137 
   
  
  
       3.69    3.70
       3.77    3.77
   
        -23.75888674 
        -23.64262341 
        -23.72013230 
   
  
  
       3.97    3.98
       4.05    4.06
   
        -23.61339409 
        -23.47038736 
        -23.56572518 
   
  
  
       3.97    3.98
       4.06    4.07
   
        -23.67604637 
        -23.54612947 
        -23.63274074 
   
  
  
       3.80    3.81
       3.88    3.89
   
        -23.93673328 
        -23.84502183 
        -23.90616280 
   
  
  
       3.72    3.73
       3.80    3.81
   
        -23.67174020 
        -23.54375852 
        -23.62907964 
   
  
  
       3.84    3.85
       3.91    3.93
   
        -23.72512536 
        -23.65203482 
        -23.70076185 
   
  
  
       4.30    4.32
       4.38    4.40
   
        -23.45101554 
        -23.18771083 
        -23.36324731 
   
  
  
       4.64    4.65
       4.72    4.72
   
        -23.26027695 
        -23.22205226 
        -23.24753539 
   
  
  
       3.68    3.69
       3.76    3.76
   
        -23.42673000 
        -23.40995146 
        -23.42113716 
   
  
  
       3.97    3.97
       4.04    4.05
   
        -23.29292609 
        -23.28190411 
        -23.28925209