vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 04 
  02:26:11 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       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 
    
   
   
           0.38505899       0.42876680       0.53223499 
           0.44279876       0.52397770       0.38714804 
           0.58429340       0.51740743       0.32484902 
           0.35382397       0.57296418       0.27192814 
           0.26242755       0.48971712       0.57117903 
           0.36972153       0.26232417       0.49562537 
           0.61995455       0.66727658       0.25767703 
           0.67067252       0.47961547       0.44956315 
           0.59918352       0.40012132       0.20167082 
           0.46441588       0.43923432       0.66906196 
           0.47802410       0.84411322       0.56850887 
           0.41801536       0.89255606       0.58839523 
   
  
  
           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
       44
       -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
   
   
         2
     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 
   
  
  
          0.38505899       0.42876680       0.53223499 
          0.44279876       0.52397770       0.38714804 
          0.58429340       0.51740743       0.32484902 
          0.35382397       0.57296418       0.27192814 
          0.26242755       0.48971712       0.57117903 
          0.36972153       0.26232417       0.49562537 
          0.61995455       0.66727658       0.25767703 
          0.67067252       0.47961547       0.44956315 
          0.59918352       0.40012132       0.20167082 
          0.46441588       0.43923432       0.66906196 
          0.47802410       0.84411322       0.56850887 
          0.41801536       0.89255606       0.58839523 
  
 
 
  
      10.13   10.19
      10.27   10.33
   
         23.83307581 
       1487.40104395 
      -5847.45521284 
        306.47895668 
       4102.18079837 
      -4139.55860478 
          0.00033635 
       -427.24100298 
       5082.48689363 
        588.12628420 
        588.12594785 
        588.12617208 
   
  
  
      12.38   12.40
      12.38   12.40
   
         35.55613017 
         35.54872364 
         35.55366132 
   
  
  
      10.40   10.41
      10.41   10.41
   
        -51.94743720 
        -51.95449001 
        -51.94978814 
   
  
  
      10.97   11.01
      10.97   11.01
   
        -53.38105209 
        -53.38688651 
        -53.38299690 
   
  
  
      11.09   11.11
      11.14   11.15
   
        -53.41826922 
        -53.42409832 
        -53.42021225 
   
  
  
      12.26   12.27
      12.43   12.45
   
     -36628.02805547 
     -36628.02910776 
     -36628.02840624 
   
  
  
       9.97    9.98
      10.14   10.15
   
         18.62017116 
         18.61448873 
         18.61827702 
   
  
  
      10.38   10.40
      10.55   10.56
   
        -43.50809643 
        -43.51470752 
        -43.51030013 
   
  
  
      10.92   10.93
      11.09   11.10
   
        -53.94537073 
        -53.95118981 
        -53.94731042 
   
  
  
      12.02   12.04
      12.20   12.22
   
      -3926.19853512 
      -3926.20939758 
      -3926.20215594 
   
  
  
       9.56    9.57
       9.74    9.76
   
        -48.70438668 
        -48.71020510 
        -48.70632615 
   
  
  
       9.64    9.66
       9.82    9.84
   
        -59.09345372 
        -59.09926867 
        -59.09539204 
   
  
  
      10.46   10.47
      10.63   10.64
   
        -61.74996060 
        -61.75577705 
        -61.75189941 
   
  
  
      10.14   10.15
      10.32   10.33
   
        -60.57788561 
        -60.58370261 
        -60.57982461 
   
  
  
      10.67   10.69
      10.86   10.88
   
        -60.96567024 
        -60.97148715 
        -60.96760921 
   
  
  
      10.57   10.58
      10.74   10.75
   
        -60.84094392 
        -60.84676171 
        -60.84288319 
   
  
  
      11.03   11.04
      11.23   11.25
   
        -77.11002124 
        -77.12378286 
        -77.11460845 
   
  
  
      10.27   10.29
      10.45   10.46
   
       -242.59658221 
       -242.60613445 
       -242.59976629 
   
  
  
       9.08    9.09
       9.26    9.27
   
        -49.52501181 
        -49.52577683 
        -49.52526682 
   
  
  
       8.64    8.66
       8.82    8.83
   
        -59.29377004 
        -59.29958545 
        -59.29570851 
   
  
  
       7.74    7.75
       7.91    7.92
   
        -60.44686674 
        -60.45268398 
        -60.44880582 
   
  
  
       6.82    6.83
       6.98    6.99
   
        -58.24522900 
        -58.25104604 
        -58.24716802 
   
  
  
       3.39    3.49
       3.58    3.68
   
        -60.69490977 
        -60.70072683 
        -60.69684879 
   
  
  
       2.34    2.40
       2.50    2.56
   
        -54.30145891 
        -54.30762053 
        -54.30351278 
   
  
  
       1.76    1.78
       1.92    1.94
   
        -59.42490408 
        -59.43072710 
        -59.42684509 
   
  
  
       1.74    1.76
       1.91    1.92
   
        -60.66188938 
        -60.66770673 
        -60.66382850 
   
  
  
       1.16    1.18
       1.32    1.33
   
        -60.68020774 
        -60.68602500 
        -60.68214683 
   
  
  
       0.85    0.92
       1.02    1.08
   
        -60.44325630 
        -60.44907357 
        -60.44519539 
   
  
  
       0.71    0.71
       0.87    0.88
   
        -60.72206572 
        -60.72788317 
        -60.72400487 
   
  
  
       0.82    0.83
       0.98    0.99
   
     -25199.29427145 
     -25199.28264165 
     -25199.29039485 
   
  
  
       0.72    0.73
       0.88    0.89
   
        -24.87729882 
        -24.85550686 
        -24.87003483 
   
  
  
       0.76    0.77
       0.92    0.92
   
        -57.22898155 
        -57.23498858 
        -57.23098389 
   
  
  
       0.71    0.72
       0.88    0.88
   
        -60.27941433 
        -60.28523121 
        -60.28135329 
   
  
  
       0.74    0.74
       0.89    0.90
   
        -60.65142173 
        -60.65723904 
        -60.65336084 
   
  
  
       0.78    0.79
       0.94    0.95
   
        -60.69176872 
        -60.69758608 
        -60.69370784 
   
  
  
       0.74    0.75
       0.90    0.91
   
        -60.62725354 
        -60.63307099 
        -60.62919269 
   
  
  
       0.76    0.77
       0.92    0.93
   
        -60.51930530 
        -60.52512283 
        -60.52124448 
   
  
  
       0.72    0.73
       0.89    0.89
   
        -60.53152885 
        -60.53734644 
        -60.53346805 
   
  
  
       0.73    0.74
       0.90    0.90
   
        -60.54865874 
        -60.55447641 
        -60.55059797 
   
  
  
       0.71    0.71
       0.87    0.88
   
        -60.70226930 
        -60.70808709 
        -60.70420856 
   
  
  
       0.73    0.74
       0.89    0.90
   
        -60.74850530 
        -60.75432317 
        -60.75044459 
   
  
  
       0.73    0.74
       0.90    0.91
   
        -60.76423069 
        -60.77004869 
        -60.76617002 
   
  
  
       0.74    0.75
       0.91    0.92
   
        -60.76218546 
        -60.76800364 
        -60.76412485 
   
  
  
       0.74    0.75
       0.91    0.92
   
       -244.10330062 
       -244.10568096 
       -244.10409407 
   
  
  
       0.70    0.71
       0.87    0.88
   
        -49.63569113 
        -49.62537648 
        -49.63225291 
   
  
  
       0.69    0.70
       0.86    0.86
   
        -59.96687230 
        -59.97269823 
        -59.96881428 
   
  
  
       0.80    0.80
       0.96    0.97
   
       -119.78795388 
       -119.80980412 
       -119.79523730 
   
  
  
       0.68    0.69
       0.85    0.85
   
        -55.02448748 
        -55.03032670 
        -55.02643389