vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  21:05:08 
 
 
  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 
    
   
   
           0.96804812       0.74065885       0.36026320 
           0.00162318       0.87141087       0.36245787 
           0.11941326       0.32886162       0.28933915 
           0.24869004       0.32256050       0.62323136 
           0.29406106       0.83861943       0.62270331 
           0.56755871       0.72271563       0.75021500 
           0.72453908       0.26396787       0.07625040 
           0.70653322       0.03739400       0.50562225 
           0.94550429       0.16155763       0.11556118 
           0.97474578       0.77056190       0.04475436 
           0.76154484       0.04937294       0.47433281 
           0.79506960       0.85956120       0.66972975 
           0.25488527       0.02781026       0.51116946 
           0.47707838       0.16398867       0.83886711 
           0.11663469       0.90151314       0.86461456 
           0.76732084       0.89184672       0.30353475 
           0.54532387       0.21903263       0.30821829 
           0.51483427       0.56797260       0.16573929 
           0.99233514       0.77531746       0.01935463 
           0.38625375       0.20099007       0.86581501 
           0.98212146       0.19426560       0.82882519 
           0.90797409       0.02138566       0.61776505 
           0.08310163       0.43826278       0.29213375 
           0.81531849       0.43636196       0.00865090 
           0.32638034       0.67760184       0.67727808 
           0.78050894       0.81017922       0.00169142 
           0.83258014       0.17230625       0.86796733 
           0.91558426       0.26136991       0.26178438 
           0.57904336       0.80017370       0.43272409 
           0.95021654       0.87953077       0.11194327 
           0.94055046       0.01182162       0.91544914 
           0.14026284       0.56722901       0.09040110 
           0.77979488       0.31632816       0.57694919 
           0.20498742       0.97893723       0.30922625 
           0.83315012       0.78891554       0.37785286 
   
  
  
           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 
   
  
  
          0.96804812       0.74065885       0.36026320 
          0.00162318       0.87141087       0.36245787 
          0.11941326       0.32886162       0.28933915 
          0.24869004       0.32256050       0.62323136 
          0.29406106       0.83861943       0.62270331 
          0.56755871       0.72271563       0.75021500 
          0.72453908       0.26396787       0.07625040 
          0.70653322       0.03739400       0.50562225 
          0.94550429       0.16155763       0.11556118 
          0.97474578       0.77056190       0.04475436 
          0.76154484       0.04937294       0.47433281 
          0.79506960       0.85956120       0.66972975 
          0.25488527       0.02781026       0.51116946 
          0.47707838       0.16398867       0.83886711 
          0.11663469       0.90151314       0.86461456 
          0.76732084       0.89184672       0.30353475 
          0.54532387       0.21903263       0.30821829 
          0.51483427       0.56797260       0.16573929 
          0.99233514       0.77531746       0.01935463 
          0.38625375       0.20099007       0.86581501 
          0.98212146       0.19426560       0.82882519 
          0.90797409       0.02138566       0.61776505 
          0.08310163       0.43826278       0.29213375 
          0.81531849       0.43636196       0.00865090 
          0.32638034       0.67760184       0.67727808 
          0.78050894       0.81017922       0.00169142 
          0.83258014       0.17230625       0.86796733 
          0.91558426       0.26136991       0.26178438 
          0.57904336       0.80017370       0.43272409 
          0.95021654       0.87953077       0.11194327 
          0.94055046       0.01182162       0.91544914 
          0.14026284       0.56722901       0.09040110 
          0.77979488       0.31632816       0.57694919 
          0.20498742       0.97893723       0.30922625 
          0.83315012       0.78891554       0.37785286 
  
 
 
  
       5.82    5.88
       6.30    6.35
   
         24.76344702 
       -356.81412903 
      -2173.66486052 
       -299.13124279 
       3170.77583059 
      -2609.60722799 
          0.00568298 
       -163.43414169 
       3755.32434067 
       1348.21769926 
       1348.21201628 
       1348.21580493 
   
  
  
       7.55    7.60
       7.55    7.60
   
        740.72214041 
        740.73795389 
        740.72741157 
   
  
  
       9.86    9.92
       9.86    9.92
   
        590.50721830 
        590.50678031 
        590.50707231 
   
  
  
       7.90    7.95
       7.90    7.95
   
        571.47907419 
        571.45803913 
        571.47206250 
   
  
  
       7.79    7.84
       7.90    7.97
   
        570.79125773 
        570.76813118 
        570.78354888 
   
  
  
       8.52    8.57
       9.08    9.13
   
        589.63066071 
        589.62803124 
        589.62978422 
   
  
  
       8.35    8.40
       8.92    8.97
   
        609.74200749 
        609.79090084 
        609.75830527 
   
  
  
       7.82    7.88
       8.38    8.44
   
        633.76675285 
        633.78149718 
        633.77166763 
   
  
  
       7.33    7.38
       7.91    7.97
   
        648.14608170 
        648.19560595 
        648.16258978 
   
  
  
       8.24    8.29
       8.84    8.90
   
        648.55954793 
        648.55094378 
        648.55667988 
   
  
  
       8.16    8.22
       8.73    8.79
   
        624.10913367 
        624.08106582 
        624.09977772 
   
  
  
       6.96    7.05
       7.52    7.61
   
        650.85030985 
        650.86815878 
        650.85625950 
   
  
  
       7.30    7.36
       7.86    7.93
   
        654.96094840 
        655.02110758 
        654.98100146 
   
  
  
       6.91    6.97
       7.47    7.53
   
        655.80952417 
        655.79680049 
        655.80528295 
   
  
  
       7.08    7.14
       7.65    7.71
   
        658.04456297 
        658.03172319 
        658.04028304 
   
  
  
       8.21    8.28
       8.82    8.88
   
        661.14489533 
        661.14172337 
        661.14383801 
   
  
  
       7.09    7.16
       7.69    7.76
   
        661.09433226 
        661.06691977 
        661.08519476 
   
  
  
       7.03    7.09
       7.60    7.66
   
        661.46327831 
        661.45123901 
        661.45926521 
   
  
  
       7.26    7.31
       7.85    7.91
   
        664.08093569 
        664.07497015 
        664.07894718 
   
  
  
       7.23    7.28
       7.80    7.86
   
        668.23583489 
        668.23635886 
        668.23600955 
   
  
  
       7.26    7.32
       7.83    7.90
   
        669.01247832 
        669.04225394 
        669.02240353 
   
  
  
       7.66    7.71
       8.23    8.29
   
        669.00726613 
        669.01529925 
        669.00994384 
   
  
  
       7.09    7.16
       7.67    7.74
   
        668.63362919 
        668.66079572 
        668.64268470 
   
  
  
       6.10    6.16
       6.69    6.76
   
        670.23445903 
        670.23127652 
        670.23339820 
   
  
  
       6.95    7.01
       7.55    7.61
   
        671.73498055 
        671.73913453 
        671.73636521 
   
  
  
       6.46    6.52
       7.07    7.12
   
        673.97362184 
        673.95989300 
        673.96904556 
   
  
  
       6.62    6.68
       7.22    7.28
   
        674.16954387 
        674.15729046 
        674.16545940 
   
  
  
       6.40    6.47
       6.99    7.06
   
        670.49922337 
        670.47326787 
        670.49057154 
   
  
  
       7.20    7.26
       7.79    7.85
   
        670.46757196 
        670.44190768 
        670.45901720 
   
  
  
       7.22    7.29
       7.81    7.88
   
        670.61381565 
        670.58564117 
        670.60442416 
   
  
  
       5.46    5.52
       6.06    6.12
   
        670.82433284 
        670.79898086 
        670.81588218 
   
  
  
       5.14    5.21
       5.77    5.84
   
        670.94543508 
        670.92229654 
        670.93772223 
   
  
  
       4.80    4.86
       5.40    5.45
   
        671.01000843 
        670.98766476 
        671.00256054 
   
  
  
       5.34    5.40
       5.92    5.98
   
        671.01477201 
        670.99405429 
        671.00786610