vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 30 
  15:22:46 
 
 
  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 
    
   
   
           0.38647881       0.42207085       0.54313188 
           0.43599627       0.56887172       0.43495656 
           0.57190975       0.54421472       0.34734502 
           0.34039851       0.60418385       0.31495887 
           0.26585305       0.46237714       0.60961351 
           0.37227960       0.27966591       0.45353901 
           0.60357675       0.68591598       0.26251394 
           0.66965903       0.51551857       0.46145091 
           0.56933442       0.41596306       0.23732253 
           0.47270534       0.39312142       0.67085913 
           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 
   
  
  
          0.38647881       0.42207085       0.54313188 
          0.43599627       0.56887172       0.43495656 
          0.57190975       0.54421472       0.34734502 
          0.34039851       0.60418385       0.31495887 
          0.26585305       0.46237714       0.60961351 
          0.37227960       0.27966591       0.45353901 
          0.60357675       0.68591598       0.26251394 
          0.66965903       0.51551857       0.46145091 
          0.56933442       0.41596306       0.23732253 
          0.47270534       0.39312142       0.67085913 
          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 
  
 
 
  
       3.85    3.90
       3.92    3.97
   
         23.83307581 
       1658.49943364 
      -6017.81844164 
        304.54260057 
       4104.28886790 
      -4141.72589677 
         -0.00759590 
       -406.52051769 
       5082.48689363 
        607.57841956 
        607.58601546 
        607.58095153 
   
  
  
       5.08    5.08
       5.08    5.08
   
         36.76722614 
         36.77348623 
         36.76931284 
   
  
  
       4.22    4.23
       4.22    4.23
   
        -60.64453735 
        -60.58930018 
        -60.62612496 
   
  
  
       4.21    4.22
       4.22    4.22
   
        -62.34028649 
        -62.28498337 
        -62.32185212 
   
  
  
       4.65    4.65
       4.67    4.67
   
        -62.38307649 
        -62.32777092 
        -62.36464130 
   
  
  
       4.24    4.24
       4.31    4.31
   
        -59.60619893 
        -59.55133395 
        -59.58791060 
   
  
  
       4.48    4.49
       4.56    4.57
   
        -59.43954678 
        -59.38479884 
        -59.42129747 
   
  
  
       4.25    4.27
       4.33    4.34
   
        -59.43852219 
        -59.38382018 
        -59.42028818 
   
  
  
       4.25    4.26
       4.32    4.33
   
        -59.44061045 
        -59.38591429 
        -59.42237839 
   
  
  
       4.43    4.45
       4.50    4.52
   
        -59.44088490 
        -59.38617548 
        -59.42264843 
   
  
  
       4.18    4.19
       4.26    4.26
   
        -59.44130299 
        -59.38659514 
        -59.42306704 
   
  
  
       4.24    4.25
       4.32    4.33
   
        -59.44171145 
        -59.38700281 
        -59.42347523 
   
  
  
       3.82    3.84
       3.90    3.91
   
        -59.44203359 
        -59.38732497 
        -59.42379739 
   
  
  
       3.32    3.32
       3.40    3.40
   
        -59.44223031 
        -59.38752220 
        -59.42399427 
   
  
  
       3.25    3.25
       3.33    3.34
   
        -59.44230297 
        -59.38759479 
        -59.42406691 
   
  
  
       3.20    3.20
       3.27    3.28
   
        -59.44234934 
        -59.38764112 
        -59.42411327 
   
  
  
       3.03    3.04
       3.11    3.11
   
        -59.44235999 
        -59.38765182 
        -59.42412393 
   
  
  
       2.03    2.24
       2.14    2.34
   
        -59.44237177 
        -59.38766361 
        -59.42413572