vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 30 
  15:22:47 
 
 
  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 
    
   
   
           0.38585578       0.42223567       0.54253837 
           0.43604398       0.56948626       0.43531109 
           0.57184516       0.54352375       0.34768769 
           0.34081903       0.60477354       0.31478136 
           0.26524801       0.46266289       0.60901465 
           0.37117336       0.28020351       0.45231564 
           0.60439444       0.68494606       0.26283083 
           0.66951363       0.51383863       0.46169184 
           0.56878273       0.41538446       0.23748270 
           0.47178662       0.39188081       0.67030453 
           0.44664105       0.67937026       0.51885835 
           0.50098100       0.91120970       0.51695912 
   
  
  
           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 
   
  
  
          0.38585578       0.42223567       0.54253837 
          0.43604398       0.56948626       0.43531109 
          0.57184516       0.54352375       0.34768769 
          0.34081903       0.60477354       0.31478136 
          0.26524801       0.46266289       0.60901465 
          0.37117336       0.28020351       0.45231564 
          0.60439444       0.68494606       0.26283083 
          0.66951363       0.51383863       0.46169184 
          0.56878273       0.41538446       0.23748270 
          0.47178662       0.39188081       0.67030453 
          0.44664105       0.67937026       0.51885835 
          0.50098100       0.91120970       0.51695912 
  
  
     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 
  
 
 
  
       3.88    3.93
       3.94    3.99
   
         23.83307581 
       1657.15881312 
      -6016.66170540 
        304.50797358 
       4104.28886790 
      -4141.72589677 
         -0.01518593 
       -406.54567878 
       5082.48689363 
        607.32715716 
        607.34234309 
        607.33221914 
   
  
  
       5.11    5.12
       5.11    5.12
   
         36.57141789 
         36.57859360 
         36.57380980 
   
  
  
       4.21    4.22
       4.21    4.22
   
        -60.67296773 
        -60.61771508 
        -60.65455018 
   
  
  
       4.19    4.20
       4.19    4.20
   
        -62.34094495 
        -62.28560076 
        -62.32249689 
   
  
  
       4.64    4.65
       4.66    4.67
   
        -62.38328841 
        -62.32794238 
        -62.36483974 
   
  
  
       4.24    4.24
       4.31    4.32
   
        -59.59747161 
        -59.54251480 
        -59.57915267 
   
  
  
       4.47    4.48
       4.55    4.55
   
        -59.42458011 
        -59.36971880 
        -59.40629300 
   
  
  
       4.25    4.25
       4.32    4.32
   
        -59.42179496 
        -59.36698085 
        -59.40352359 
   
  
  
       4.22    4.22
       4.30    4.30
   
        -59.42362377 
        -59.36881447 
        -59.40535400 
   
  
  
       4.49    4.50
       4.58    4.58
   
        -59.42390692 
        -59.36908524 
        -59.40563302 
   
  
  
       4.18    4.18
       4.25    4.25
   
        -59.42438153 
        -59.36956159 
        -59.40610822 
   
  
  
       4.13    4.14
       4.20    4.21
   
        -59.42485961 
        -59.37003906 
        -59.40658609 
   
  
  
       3.86    3.87
       3.93    3.95
   
        -59.42525293 
        -59.37043252 
        -59.40697946 
   
  
  
       3.76    3.78
       3.83    3.85
   
        -59.42548168 
        -59.37066183 
        -59.40720840 
   
  
  
       3.27    3.28
       3.34    3.35
   
        -59.42555945 
        -59.37073946 
        -59.40728612 
   
  
  
       3.16    3.17
       3.23    3.25
   
        -59.42561105 
        -59.37079102 
        -59.40733770 
   
  
  
       3.09    3.09
       3.17    3.17
   
        -59.42562295 
        -59.37080299 
        -59.40734963 
   
  
  
       1.87    2.16