vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  11:44:33 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.48618138       0.04545384       0.35448633 
           0.23584021       0.70221385       0.57779042 
           0.06575974       0.13586326       0.93223219 
           0.82050530       0.98851262       0.08228674 
           0.58330986       0.42640741       0.10348288 
           0.52562635       0.67534321       0.30380490 
           0.89645970       0.72714798       0.51966717 
           0.79591161       0.77558711       0.69547616 
           0.72176982       0.25032206       0.06232476 
           0.85323865       0.35837059       0.44303613 
           0.67131241       0.02719914       0.14592705 
           0.90569902       0.24227111       0.23157998 
           0.29984443       0.40157762       0.74995616 
           0.53213358       0.43522786       0.83264233 
           0.88212924       0.71207948       0.31347396 
           0.45571061       0.67007723       0.73790653 
           0.47852944       0.63484882       0.35686423 
           0.47906549       0.54543747       0.73795332 
           0.36831254       0.90367265       0.73932450 
           0.86684882       0.86457459       0.70606137 
           0.04326122       0.02488279       0.72755376 
           0.58597058       0.13478756       0.95059866 
           0.14636599       0.41119186       0.89146359 
           0.50963718       0.61344254       0.40179152 
           0.32047002       0.57299396       0.91660758 
           0.05972616       0.31125693       0.47798573 
           0.70708606       0.76637845       0.51506606 
           0.83379562       0.13307796       0.59560097 
           0.99632867       0.56851459       0.28389362 
           0.13399869       0.83528420       0.76137624 
           0.14501398       0.49649936       0.47818157 
           0.00241525       0.95589696       0.47184129 
           0.22439751       0.14990950       0.37952403 
           0.25702173       0.21121754       0.17311560 
           0.23809002       0.27094907       0.65349466 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -1
       -1
       136.00000000
        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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    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
         1.11000000      0.73000000      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  
        28.08500000     16.00000000      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
        27.99362752
         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  
  
 
 
        35 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.48618138       0.04545384       0.35448633 
          0.23584021       0.70221385       0.57779042 
          0.06575974       0.13586326       0.93223219 
          0.82050530       0.98851262       0.08228674 
          0.58330986       0.42640741       0.10348288 
          0.52562635       0.67534321       0.30380490 
          0.89645970       0.72714798       0.51966717 
          0.79591161       0.77558711       0.69547616 
          0.72176982       0.25032206       0.06232476 
          0.85323865       0.35837059       0.44303613 
          0.67131241       0.02719914       0.14592705 
          0.90569902       0.24227111       0.23157998 
          0.29984443       0.40157762       0.74995616 
          0.53213358       0.43522786       0.83264233 
          0.88212924       0.71207948       0.31347396 
          0.45571061       0.67007723       0.73790653 
          0.47852944       0.63484882       0.35686423 
          0.47906549       0.54543747       0.73795332 
          0.36831254       0.90367265       0.73932450 
          0.86684882       0.86457459       0.70606137 
          0.04326122       0.02488279       0.72755376 
          0.58597058       0.13478756       0.95059866 
          0.14636599       0.41119186       0.89146359 
          0.50963718       0.61344254       0.40179152 
          0.32047002       0.57299396       0.91660758 
          0.05972616       0.31125693       0.47798573 
          0.70708606       0.76637845       0.51506606 
          0.83379562       0.13307796       0.59560097 
          0.99632867       0.56851459       0.28389362 
          0.13399869       0.83528420       0.76137624 
          0.14501398       0.49649936       0.47818157 
          0.00241525       0.95589696       0.47184129 
          0.22439751       0.14990950       0.37952403 
          0.25702173       0.21121754       0.17311560 
          0.23809002       0.27094907       0.65349466 
  
 
 
  
       4.98    5.04
       5.43    5.49
   
         24.76344702 
      -1584.84017517 
      -1562.49299591 
       -295.23695963 
       3170.77583059 
      -2609.60722799 
         -0.00530454 
       -172.05113102 
       3755.32434067 
        726.62982402 
        726.63512856 
        726.63159220 
   
  
  
       7.16    7.22
       7.16    7.22
   
        163.71827525 
        163.70792676 
        163.71482575 
   
  
  
       9.08    9.14
       9.09    9.14
   
         57.42441944 
         57.40062090 
         57.41648660 
   
  
  
       8.14    8.19
       8.14    8.19
   
         47.73447312 
         47.70374906 
         47.72423177 
   
  
  
       8.49    8.55
       8.60    8.66
   
         47.42749116 
         47.39720682 
         47.41739638 
   
  
  
       8.39    8.46
       8.97    9.03
   
         60.42306030 
         60.40765324 
         60.41792462 
   
  
  
       8.58    8.65
       9.14    9.21
   
         38.56981168 
         38.56409538 
         38.56790624 
   
  
  
       7.90    7.98
       8.46    8.55
   
         94.08821938 
         94.11929198 
         94.09857691 
   
  
  
       7.36    7.42
       7.92    7.99
   
         92.99470406 
         92.98934753 
         92.99291855 
   
  
  
       7.14    7.21
       7.71    7.77
   
         92.62056298 
         92.61196420 
         92.61769672 
   
  
  
       7.03    7.10
       7.59    7.66
   
         92.79624742 
         92.78549076 
         92.79266186 
   
  
  
       7.64    7.69
       8.20    8.25
   
         95.25542590 
         95.26836925 
         95.25974035 
   
  
  
       6.90    6.96
       7.46    7.53
   
         94.90250340 
         94.90407758 
         94.90302812 
   
  
  
       7.33    7.39
       7.88    7.94
   
         90.81860343 
         90.78972802 
         90.80897829 
   
  
  
       7.33    7.39
       7.89    7.95
   
         89.49290767 
         89.46968842 
         89.48516792 
   
  
  
       7.92    7.98
       8.49    8.56
   
         85.71945636 
         85.74310041 
         85.72733771 
   
  
  
       7.57    7.63
       8.13    8.19
   
         92.84947483 
         92.82306537 
         92.84067168 
   
  
  
       7.79    7.84
       8.36    8.42
   
         91.64580128 
         91.65124486 
         91.64761581 
   
  
  
       7.42    7.48
       8.03    8.10
   
        100.76547758 
        100.76755275 
        100.76616931 
   
  
  
       6.88    6.94
       7.46    7.52
   
        100.30910687 
        100.29776175 
        100.30532516 
   
  
  
       7.92    7.97
       8.49    8.54
   
        100.38690058 
        100.37606314 
        100.38328810 
   
  
  
       7.34    7.41
       7.90    7.98
   
        101.04235965 
        101.03809592 
        101.04093841