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 
    
   
   
           0.38772588       0.42165890       0.54430604 
           0.43591531       0.56709210       0.43387858 
           0.57206161       0.54551555       0.34657916 
           0.33949501       0.60303433       0.31521376 
           0.26708803       0.46185056       0.61080332 
           0.37448092       0.27849802       0.45601565 
           0.60191979       0.68782123       0.26190263 
           0.66989303       0.51903333       0.46097383 
           0.57056734       0.41709204       0.23689434 
           0.47452520       0.39560349       0.67192043 
           0.44617975       0.67909948       0.51817904 
           0.47780638       0.86304956       0.56351408 
   
  
  
           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 
   
  
  
          0.38772588       0.42165890       0.54430604 
          0.43591531       0.56709210       0.43387858 
          0.57206161       0.54551555       0.34657916 
          0.33949501       0.60303433       0.31521376 
          0.26708803       0.46185056       0.61080332 
          0.37448092       0.27849802       0.45601565 
          0.60191979       0.68782123       0.26190263 
          0.66989303       0.51903333       0.46097383 
          0.57056734       0.41709204       0.23689434 
          0.47452520       0.39560349       0.67192043 
          0.44617975       0.67909948       0.51817904 
          0.47780638       0.86304956       0.56351408 
  
  
     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 
  
 
 
  
       4.40    4.45
       4.46    4.51
   
         23.83307581 
       1660.97555565 
      -6019.85446488 
        304.62080576 
       4104.28886790 
      -4141.72589677 
         -0.00501894 
       -417.97530688 
       5082.48689363 
        596.64451129 
        596.64953023 
        596.64618427 
   
  
  
       5.08    5.09
       5.08    5.09
   
         34.98365726 
         34.96714332 
         34.97815261 
   
  
  
       4.13    4.13
       4.13    4.14
   
        -60.63746739 
        -60.58165229 
        -60.61886236 
   
  
  
       4.18    4.18
       4.18    4.18
   
        -62.33920099 
        -62.28376875 
        -62.32072358 
   
  
  
       4.53    4.53
       4.55    4.55
   
        -62.38213815 
        -62.32671175 
        -62.36366268 
   
  
  
       4.21    4.22
       4.29    4.30
   
        -59.64121800 
        -59.58625210 
        -59.62289603 
   
  
  
       4.48    4.49
       4.56    4.56
   
        -59.48782128 
        -59.43298537 
        -59.46954264 
   
  
  
       4.22    4.23
       4.30    4.30
   
        -59.48936516 
        -59.43456556 
        -59.47109863 
   
  
  
       4.20    4.20
       4.28    4.28
   
        -59.49189306 
        -59.43710300 
        -59.47362971 
   
  
  
       4.22    4.22
       4.29    4.30
   
        -59.49214349 
        -59.43734207 
        -59.47387635 
   
  
  
       4.23    4.24
       4.31    4.32
   
        -59.49244205 
        -59.43764107 
        -59.47417505 
   
  
  
       4.20    4.21
       4.27    4.29
   
        -59.49269544 
        -59.43789338 
        -59.47442809 
   
  
  
       3.87    3.88
       3.94    3.96
   
        -59.49288072 
        -59.43807822 
        -59.47461322 
   
  
  
       3.37    3.38
       3.44    3.45
   
        -59.49300107 
        -59.43819871 
        -59.47473362 
   
  
  
       3.26    3.26
       3.35    3.35
   
        -59.49306742 
        -59.43826502 
        -59.47479995 
   
  
  
       3.05    3.06
       3.12    3.13
   
        -59.49310611 
        -59.43830369 
        -59.47483864 
   
  
  
       3.00    3.02
       3.06    3.07
   
         23.83307581 
       1660.97555565 
      -6083.70963063 
        309.64509905 
       5656.65431230 
      -5694.17183179 
         -0.05480239 
      -1015.15178636 
       5082.48689363 
        -59.49311472 
        -59.43831233 
        -59.47484726