vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 01 
  23:31:47 
 
 
  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 
    
   
   
           0.07597772       0.63479630       0.13643864 
           0.40224025       0.58213874       0.42094471 
           0.29748533       0.48447207       0.26410686 
           0.86805938       0.21822622       0.93811776 
           0.16421495       0.12905585       0.09311427 
           0.83689139       0.68620741       0.72784805 
           0.82110072       0.26359730       0.18352880 
           0.35516060       0.29875724       0.59694597 
           0.42553684       0.58718536       0.56719723 
           0.85453730       0.71435867       0.58010695 
           0.34541449       0.80642941       0.72465679 
           0.37296968       0.98239165       0.66963885 
   
  
  
           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 
   
  
  
          0.07597772       0.63479630       0.13643864 
          0.40224025       0.58213874       0.42094471 
          0.29748533       0.48447207       0.26410686 
          0.86805938       0.21822622       0.93811776 
          0.16421495       0.12905585       0.09311427 
          0.83689139       0.68620741       0.72784805 
          0.82110072       0.26359730       0.18352880 
          0.35516060       0.29875724       0.59694597 
          0.42553684       0.58718536       0.56719723 
          0.85453730       0.71435867       0.58010695 
          0.34541449       0.80642941       0.72465679 
          0.37296968       0.98239165       0.66963885 
  
  
     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 
  
 
 
  
       4.04    4.13
       4.10    4.19
   
         23.83307581 
      -1133.80819664 
      -3319.49402150 
        294.51378392 
       4104.28886790 
      -4141.72589677 
          0.00707790 
       -334.93637088 
       5082.48689363 
        575.16521336 
        575.15813546 
        575.16285406 
   
  
  
       4.95    4.95
       4.95    4.96
   
         62.02847381 
         62.04180272 
         62.03291678 
   
  
  
       4.02    4.03
       4.02    4.03
   
        -37.31471722 
        -37.28422445 
        -37.30455297 
   
  
  
       4.31    4.32
       4.32    4.32
   
        -40.10887490 
        -40.07288914 
        -40.09687965 
   
  
  
       4.32    4.33
       4.34    4.35
   
        -40.18685835 
        -40.15147748 
        -40.17506473 
   
  
  
       4.14    4.14
       4.22    4.22
   
        -52.97746200 
        -52.89356507 
        -52.94949636 
   
  
  
       3.99    4.00
       4.07    4.08
   
        -33.21324397 
        -33.06888922 
        -33.16512572 
   
  
  
       3.74    3.74
       3.81    3.81
   
        -30.12552009 
        -30.08715786 
        -30.11273268 
   
  
  
       4.19    4.22
       4.27    4.30
   
        -28.31806544 
        -28.31447326 
        -28.31686804 
   
  
  
       4.25    4.26
       4.33    4.35
   
        -29.07605013 
        -29.01143686 
        -29.05451237 
   
  
  
       4.24    4.25
       4.32    4.33
   
        -31.25625825 
        -31.18971624 
        -31.23407758 
   
  
  
       3.75    3.76
       3.82    3.83
   
        -35.10499430 
        -35.02823303 
        -35.07940721 
   
  
  
       3.70    3.70
       3.77    3.77
   
        -42.20218229 
        -42.12349574 
        -42.17595344 
   
  
  
       3.84    3.85
       3.92    3.93
   
        -73.33091291 
        -73.27306631 
        -73.31163071 
   
  
  
       5.05    5.05
       5.14    5.15
   
        -84.26959229 
        -84.20852122 
        -84.24923527 
   
  
  
       4.21    4.22
       4.29    4.30
   
        -97.13987294 
        -97.08890862 
        -97.12288483 
   
  
  
       4.53    4.55
       4.60    4.62
   
        -26.13718790 
        -26.17652429 
        -26.15030003 
   
  
  
       4.11    4.12
       4.19    4.20
   
        -30.38228900 
        -30.42404979 
        -30.39620926 
   
  
  
       3.75    3.76
       3.84    3.84
   
        -59.56712646 
        -59.51085702 
        -59.54836998 
   
  
  
       4.22    4.23
       4.30    4.31
   
        -54.08180837 
        -54.01177441 
        -54.05846371 
   
  
  
       3.71    3.71
       3.80    3.80
   
        -27.49379674 
        -27.51432754 
        -27.50064034 
   
  
  
       4.04    4.04
       4.11    4.12
   
        -26.96725883 
        -26.93942039 
        -26.95797935 
   
  
  
       2.74    3.14
       2.81    3.21
   
        -27.53830940 
        -27.52384116 
        -27.53348665