vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 30 
  15:23:02 
 
 
  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 
    
   
   
           0.38647389       0.42206150       0.54310663 
           0.43598654       0.56895392       0.43498751 
           0.57189225       0.54419222       0.34733671 
           0.34040559       0.60411141       0.31492998 
           0.26585120       0.46236425       0.60960094 
           0.37225797       0.27958486       0.45354655 
           0.60356297       0.68589452       0.26251700 
           0.66965930       0.51550413       0.46143648 
           0.56936632       0.41592101       0.23728023 
           0.47269697       0.39310480       0.67084874 
           0.44648728       0.67928000       0.51863191 
           0.49325612       0.89515632       0.53247744 
   
  
  
           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 
   
  
  
          0.38647389       0.42206150       0.54310663 
          0.43598654       0.56895392       0.43498751 
          0.57189225       0.54419222       0.34733671 
          0.34040559       0.60411141       0.31492998 
          0.26585120       0.46236425       0.60960094 
          0.37225797       0.27958486       0.45354655 
          0.60356297       0.68589452       0.26251700 
          0.66965930       0.51550413       0.46143648 
          0.56936632       0.41592101       0.23728023 
          0.47269697       0.39310480       0.67084874 
          0.44648728       0.67928000       0.51863191 
          0.49325612       0.89515632       0.53247744 
  
  
     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 
  
 
 
  
       4.24    4.32
       4.31    4.39
   
         23.83307581 
       1658.02394397 
      -6017.38543893 
        304.53942846 
       4104.28886790 
      -4141.72589677 
         -0.00762598 
       -406.49451041 
       5082.48689363 
        607.55873768 
        607.56636366 
        607.56127967 
   
  
  
       5.19    5.20
       5.19    5.20
   
         36.76646924 
         36.77275069 
         36.76856306 
   
  
  
       4.35    4.36
       4.35    4.36
   
        -60.64585754 
        -60.59061855 
        -60.62744454 
   
  
  
       4.34    4.35
       4.34    4.35
   
        -62.34135747 
        -62.28605374 
        -62.32292290 
   
  
  
       4.76    4.77
       4.79    4.79
   
        -62.38414828 
        -62.32884212 
        -62.36571289 
   
  
  
       4.35    4.38
       4.44    4.47
   
        -59.60640457 
        -59.55153824 
        -59.58811579 
   
  
  
       4.61    4.61
       4.68    4.69
   
        -59.43971366 
        -59.38496383 
        -59.42146372 
   
  
  
       4.36    4.36
       4.43    4.44
   
        -59.43864105 
        -59.38393717 
        -59.42040643 
   
  
  
       4.31    4.31
       4.39    4.39
   
        -59.44072787 
        -59.38602980 
        -59.42249518 
   
  
  
       4.60    4.60
       4.68    4.68
   
        -59.44100258 
        -59.38629126 
        -59.42276547 
   
  
  
       4.32    4.32
       4.40    4.40
   
        -59.44142198 
        -59.38671224 
        -59.42318540 
   
  
  
       4.35    4.37
       4.43    4.44
   
        -59.44182973 
        -59.38711920 
        -59.42359288 
   
  
  
       3.91    3.92
       3.99    4.00
   
        -59.44215630 
        -59.38744580 
        -59.42391947 
   
  
  
       3.41    3.42
       3.50    3.51
   
        -59.44235374 
        -59.38764374 
        -59.42411707 
   
  
  
       3.34    3.35
       3.42    3.42
   
        -59.44242702 
        -59.38771695 
        -59.42419033 
   
  
  
       3.28    3.28
       3.36    3.36
   
        -59.44247290 
        -59.38776279 
        -59.42423619 
   
  
  
       3.14    3.17
       3.23    3.25
   
        -59.44248354 
        -59.38777348 
        -59.42424685 
   
  
  
       2.64    2.70
       2.72    2.78
   
        -59.44249531 
        -59.38778526 
        -59.42425863 
   
  
  
       1.36    1.78
       1.43    1.85
   
         23.83307581 
       1658.02394397 
      -6083.30032029 
        309.60156937 
       5655.60644718 
      -5693.13032345 
         -0.05471010 
      -1012.50907566 
       5082.48689363 
        -59.44249953 
        -59.38778943 
        -59.42426283