vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 30 
  15:22:48 
 
 
  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 
    
   
   
           0.38836767       0.42146294       0.54485822 
           0.43590229       0.56599604       0.43314802 
           0.57214749       0.54616868       0.34617219 
           0.33902113       0.60248458       0.31528465 
           0.26773531       0.46159141       0.61137981 
           0.37558050       0.27786838       0.45728955 
           0.60111464       0.68878087       0.26160177 
           0.66998262       0.52082357       0.46075275 
           0.57122405       0.41768152       0.23663054 
           0.47543557       0.39686940       0.67242634 
           0.44602598       0.67900923       0.51795260 
           0.47008150       0.84699618       0.57903239 
   
  
  
           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 
   
  
  
          0.38836767       0.42146294       0.54485822 
          0.43590229       0.56599604       0.43314802 
          0.57214749       0.54616868       0.34617219 
          0.33902113       0.60248458       0.31528465 
          0.26773531       0.46159141       0.61137981 
          0.37558050       0.27786838       0.45728955 
          0.60111464       0.68878087       0.26160177 
          0.66998262       0.52082357       0.46075275 
          0.57122405       0.41768152       0.23663054 
          0.47543557       0.39686940       0.67242634 
          0.44602598       0.67900923       0.51795260 
          0.47008150       0.84699618       0.57903239 
  
  
     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 
  
 
 
  
       4.42    4.48
       4.48    4.54
   
         23.83307581 
       1662.04591432 
      -6020.68817148 
        304.65974867 
       4104.28886790 
      -4141.72589677 
         -0.00552072 
       -418.05070383 
       5082.48689363 
        596.84420755 
        596.84972826 
        596.84604779 
   
  
  
       5.10    5.10
       5.10    5.10
   
         34.92277798 
         34.92043889 
         34.92199829 
   
  
  
       4.17    4.18
       4.17    4.18
   
        -60.63914725 
        -60.58337730 
        -60.62055727 
   
  
  
       4.16    4.16
       4.16    4.16
   
        -62.33982893 
        -62.28424978 
        -62.32130255 
   
  
  
       4.40    4.40
       4.41    4.42
   
        -62.38282295 
        -62.32725281 
        -62.36429957 
   
  
  
       4.21    4.21
       4.28    4.29
   
        -59.66594047 
        -59.61079129 
        -59.64755741 
   
  
  
       4.47    4.47
       4.54    4.55
   
        -59.51694959 
        -59.46191952 
        -59.49860623 
   
  
  
       4.24    4.25
       4.31    4.32
   
        -59.51910790 
        -59.46411291 
        -59.50077624 
   
  
  
       4.20    4.21
       4.28    4.29
   
        -59.52178798 
        -59.46680386 
        -59.50345994 
   
  
  
       4.18    4.19
       4.26    4.27
   
        -59.52203410 
        -59.46704031 
        -59.50370284 
   
  
  
       4.25    4.27
       4.33    4.34
   
        -59.52228636 
        -59.46729227 
        -59.50395500 
   
  
  
       4.23    4.23
       4.30    4.30
   
        -59.52247387 
        -59.46747868 
        -59.50414214 
   
  
  
       3.50    3.51
       3.58    3.59
   
        -59.52261285 
        -59.46761714 
        -59.50428095 
   
  
  
       3.40    3.41
       3.47    3.48
   
        -59.52270557 
        -59.46770982 
        -59.50437365 
   
  
  
       3.18    3.19
       3.26    3.27
   
        -59.52276180 
        -59.46776597 
        -59.50442985 
   
  
  
       3.06    3.07
       3.13    3.14
   
        -59.52279197 
        -59.46779612 
        -59.50446002 
   
  
  
       3.02    3.04
       3.08    3.09
   
         23.83307581 
       1662.04591432 
      -6083.60673618 
        309.67002114 
       5656.97780102 
      -5694.49207184 
         -0.05499583 
      -1016.38270215 
       5082.48689363 
        -59.52280006 
        -59.46780423 
        -59.50446812 
   
  
  
   
    
           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 
    
   
   
           0.38836767       0.42146294       0.54485822 
           0.43590229       0.56599604       0.43314802 
           0.57214749       0.54616868       0.34617219 
           0.33902113       0.60248458       0.31528465 
           0.26773531       0.46159141       0.61137981 
           0.37558050       0.27786838       0.45728955 
           0.60111464       0.68878087       0.26160177 
           0.66998262       0.52082357       0.46075275 
           0.57122405       0.41768152       0.23663054 
           0.47543557       0.39686940       0.67242634 
           0.44602598       0.67900923       0.51795260 
           0.47008150       0.84699618       0.57903239 
   
  
  
          0.00975763       0.18625408      -0.09916205 
         -0.18888987       0.08179393      -0.16965449 
         -0.16929567       0.07134284       0.06483080 
          0.20945912      -0.20510085       0.12281477 
         -0.01258619      -0.07766615      -0.03296412 
         -0.05826747      -0.20745183       0.05225596 
         -0.01797899      -0.06381808      -0.04047015 
          0.02927930      -0.05910323      -0.03300038 
          0.13191607      -0.09445921      -0.11466567 
          0.00744014      -0.07737588      -0.00969917 
          0.12328346       0.67252777       0.28682836 
         -0.06411752      -0.22694341      -0.02711386 
  
  
        -21.33367332      -0.18017501       0.38498791 
         -0.18017498     -20.05362990       1.28190455 
          0.38498794       1.28190460     -20.61381004