vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  04:40:13 
 
 
  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      0.77000000      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      0.00000000      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 
    
   
   
           0.84054639       0.50226284       0.18898676 
           0.74741131       0.17649975       0.33701691 
           0.02732560       0.54813402       0.30982506 
           0.99376403       0.18325542       0.21658114 
           0.90837219       0.42833909       0.40836590 
           0.91211227       0.43586191       0.35434795 
           0.40021611       0.42256792       0.28959013 
           0.39944607       0.51139709       0.53155052 
           0.22793918       0.35964186       0.71444005 
           0.95489071       0.87422629       0.83904254 
           0.43382752       0.47248829       0.83411786 
           0.43673462       0.33630929       0.69815698 
           0.77422597       0.28580420       0.53437449 
           0.74982451       0.43290778       0.78586193 
           0.00403472       0.46208408       0.56724699 
           0.11589287       0.43695886       0.65006157 
           0.21292712       0.49476123       0.11851173 
           0.16771944       0.21498381       0.44219842 
           0.50527093       0.51324867       0.16007219 
           0.42541711       0.27357026       0.38769341 
           0.45675141       0.33304063       0.94926105 
           0.49163129       0.59702065       0.46464525 
           0.43360689       0.42207551       0.31332091 
           0.42539461       0.46842605       0.53549874 
           0.45045232       0.90468347       0.59589491 
           0.46940932       0.17041208       0.85810391 
           0.64931664       0.59755849       0.68556396 
           0.34315521       0.43712311       0.66643521 
           0.24947798       0.41610270       0.35232699 
           0.29042112       0.43386172       0.89049244 
           0.43767534       0.61369626       0.56278040 
           0.45797994       0.57275728       0.66749766 
           0.44090476       0.34919053       0.60693249 
           0.00678953       0.39107613       0.42474640 
           0.40607779       0.43700963       0.91476441 
           0.82234096       0.46730271       0.44430886 
           0.66455564       0.74856658       0.66017121 
   
  
  
           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 
          36 
          37 
  
 
 
  
          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
       644.87300000
         0.00001000
       38
       10
       87
       -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      0.00000000      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      0.77000000      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     12.01100000      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
        26.48045847
         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  
  
 
 
        37 
         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
    C    2
    H    3
    H    3
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       4H       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 
   
  
  
          0.84054639       0.50226284       0.18898676 
          0.74741131       0.17649975       0.33701691 
          0.02732560       0.54813402       0.30982506 
          0.99376403       0.18325542       0.21658114 
          0.90837219       0.42833909       0.40836590 
          0.91211227       0.43586191       0.35434795 
          0.40021611       0.42256792       0.28959013 
          0.39944607       0.51139709       0.53155052 
          0.22793918       0.35964186       0.71444005 
          0.95489071       0.87422629       0.83904254 
          0.43382752       0.47248829       0.83411786 
          0.43673462       0.33630929       0.69815698 
          0.77422597       0.28580420       0.53437449 
          0.74982451       0.43290778       0.78586193 
          0.00403472       0.46208408       0.56724699 
          0.11589287       0.43695886       0.65006157 
          0.21292712       0.49476123       0.11851173 
          0.16771944       0.21498381       0.44219842 
          0.50527093       0.51324867       0.16007219 
          0.42541711       0.27357026       0.38769341 
          0.45675141       0.33304063       0.94926105 
          0.49163129       0.59702065       0.46464525 
          0.43360689       0.42207551       0.31332091 
          0.42539461       0.46842605       0.53549874 
          0.45045232       0.90468347       0.59589491 
          0.46940932       0.17041208       0.85810391 
          0.64931664       0.59755849       0.68556396 
          0.34315521       0.43712311       0.66643521 
          0.24947798       0.41610270       0.35232699 
          0.29042112       0.43386172       0.89049244 
          0.43767534       0.61369626       0.56278040 
          0.45797994       0.57275728       0.66749766 
          0.44090476       0.34919053       0.60693249 
          0.00678953       0.39107613       0.42474640 
          0.40607779       0.43700963       0.91476441 
          0.82234096       0.46730271       0.44430886 
          0.66455564       0.74856658       0.66017121 
  
 
 
  
       6.33    6.38
       7.00    7.05
   
         24.95083145 
       8111.08016275 
      -9924.30286872 
       -282.01889729 
       2937.01645563 
      -2374.63634374 
         -0.00509695 
       -288.44759688 
       3495.14563384 
       1698.78228009 
       1698.78737704 
       1698.78397907 
   
  
  
       8.06    8.06
       8.07    8.07
   
        836.45911087 
        836.47274275 
        836.46365483 
   
  
  
       9.89    9.89
       9.89    9.89
   
        610.02601093 
        610.00909849 
        610.02037345 
   
  
  
       7.97    7.97
       7.97    7.97
   
        585.93427647 
        585.95144639 
        585.93999978 
   
  
  
       8.13    8.13
       8.24    8.23
   
        584.66012984 
        584.68071088 
        584.66699019 
   
  
  
       9.28    9.28
      10.01   10.01
   
        665.24693275 
        665.22993303 
        665.24126618 
   
  
  
       8.35    8.35
       9.07    9.07
   
        723.72940932 
        723.72310579 
        723.72730814 
   
  
  
       7.83    7.83
       8.55    8.55
   
        742.64943768 
        742.59771540 
        742.63219692 
   
  
  
       7.82    7.82
       8.55    8.55
   
        742.10364270 
        742.09268009 
        742.09998850 
   
  
  
       8.33    8.33
       9.06    9.05
   
        741.18054504 
        741.18108190 
        741.18072399 
   
  
  
       8.26    8.26
       8.99    8.99
   
        742.00856664 
        741.98830556 
        742.00181295 
   
  
  
       7.10    7.10
       7.83    7.84
   
        726.92329333 
        726.93769154 
        726.92809273 
   
  
  
       7.47    7.47
       8.21    8.21
   
        716.02014395 
        716.04799270 
        716.02942687 
   
  
  
       7.09    7.09
       7.82    7.82
   
        728.11188613 
        728.14479027 
        728.12285418 
   
  
  
       6.54    6.54
       7.29    7.29
   
        734.53042171 
        734.53193801 
        734.53092714 
   
  
  
       6.85    6.85
       7.59    7.59
   
        740.46496118 
        740.48469845 
        740.47154027 
   
  
  
       7.94    7.94
       8.70    8.70
   
        743.95546914 
        743.98248141 
        743.96447323 
   
  
  
       6.81    6.81
       7.56    7.56
   
        745.07701772 
        745.13650446 
        745.09684664