vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  00:35:49 
 
 
  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 
    
   
   
           0.99280912       0.00304485       0.64044222 
           0.68581264       0.76871966       0.79586106 
           0.45153904       0.86534996       0.42456031 
           0.65345783       0.60026008       0.96401979 
           0.84691161       0.03225806       0.02765394 
           0.69209239       0.66440448       0.50602366 
           0.80045499       0.01787552       0.04929138 
           0.34214176       0.38838762       0.75481361 
           0.81537618       0.30088022       0.29835475 
           0.16624481       0.56190822       0.08894248 
           0.31367986       0.78664694       0.38451176 
           0.22761133       0.03774755       0.32943798 
           0.39479312       0.44366473       0.84953827 
           0.16151539       0.99745296       0.73398491 
           0.12101935       0.27517439       0.24436568 
           0.32925472       0.65621108       0.40360409 
           0.22408831       0.68426690       0.24100554 
           0.02761118       0.68773652       0.82203391 
           0.75406127       0.88590895       0.99398936 
           0.65766664       0.60458721       0.90989467 
           0.44429427       0.11934891       0.62402715 
           0.63372816       0.61086782       0.88377248 
           0.89098615       0.77694716       0.31569566 
           0.40084325       0.82347379       0.32605647 
           0.62193282       0.62836727       0.17414436 
           0.17204299       0.80166429       0.06872436 
           0.22032747       0.13408954       0.48595206 
           0.16286790       0.77581529       0.58203531 
           0.59998866       0.74447159       0.06161528 
           0.23573273       0.70526392       0.86271413 
           0.55622536       0.17317321       0.69138590 
           0.37768281       0.90596978       0.03896440 
           0.85762187       0.77826251       0.07651149 
           0.11711350       0.14187846       0.68545340 
           0.43557057       0.06270307       0.23002941 
   
  
  
           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 
   
  
  
          0.99280912       0.00304485       0.64044222 
          0.68581264       0.76871966       0.79586106 
          0.45153904       0.86534996       0.42456031 
          0.65345783       0.60026008       0.96401979 
          0.84691161       0.03225806       0.02765394 
          0.69209239       0.66440448       0.50602366 
          0.80045499       0.01787552       0.04929138 
          0.34214176       0.38838762       0.75481361 
          0.81537618       0.30088022       0.29835475 
          0.16624481       0.56190822       0.08894248 
          0.31367986       0.78664694       0.38451176 
          0.22761133       0.03774755       0.32943798 
          0.39479312       0.44366473       0.84953827 
          0.16151539       0.99745296       0.73398491 
          0.12101935       0.27517439       0.24436568 
          0.32925472       0.65621108       0.40360409 
          0.22408831       0.68426690       0.24100554 
          0.02761118       0.68773652       0.82203391 
          0.75406127       0.88590895       0.99398936 
          0.65766664       0.60458721       0.90989467 
          0.44429427       0.11934891       0.62402715 
          0.63372816       0.61086782       0.88377248 
          0.89098615       0.77694716       0.31569566 
          0.40084325       0.82347379       0.32605647 
          0.62193282       0.62836727       0.17414436 
          0.17204299       0.80166429       0.06872436 
          0.22032747       0.13408954       0.48595206 
          0.16286790       0.77581529       0.58203531 
          0.59998866       0.74447159       0.06161528 
          0.23573273       0.70526392       0.86271413 
          0.55622536       0.17317321       0.69138590 
          0.37768281       0.90596978       0.03896440 
          0.85762187       0.77826251       0.07651149 
          0.11711350       0.14187846       0.68545340 
          0.43557057       0.06270307       0.23002941 
  
 
 
  
       5.64    5.76
       6.08    6.20
   
         24.76344702 
       1645.16799059 
      -3847.94294575 
       -298.58531568 
       3170.77583059 
      -2609.60722799 
          0.00395305 
       -169.17462145 
       3755.32434067 
       1670.72545107 
       1670.72149802 
       1670.72413338 
   
  
  
       8.11    8.16
       8.11    8.17
   
        959.99688631 
        960.01524417 
        960.00300560 
   
  
  
       8.45    8.51
       8.45    8.51
   
        770.68629364 
        770.70159769 
        770.69139499 
   
  
  
       7.16    7.22
       7.16    7.22
   
        724.66248277 
        724.69971324 
        724.67489293 
   
  
  
       7.26    7.31
       7.38    7.43
   
        711.02997390 
        711.04828592 
        711.03607790 
   
  
  
       7.83    7.89
       8.39    8.46
   
        846.59721556 
        846.59544771 
        846.59662628 
   
  
  
       7.32    7.38
       7.89    7.95
   
        847.10145869 
        847.12831724 
        847.11041154 
   
  
  
       7.83    7.88
       8.39    8.45
   
        800.07988366 
        800.09596124 
        800.08524285 
   
  
  
       7.71    7.76
       8.27    8.32
   
        847.77063067 
        847.77343541 
        847.77156558 
   
  
  
       7.38    7.43
       7.93    7.99
   
        859.19013911 
        859.25806090 
        859.21277970 
   
  
  
       7.72    7.78
       8.28    8.34
   
        859.46962397 
        859.58168277 
        859.50697691 
   
  
  
       7.76    7.82
       8.32    8.38
   
        858.01506846 
        858.04071414 
        858.02361702 
   
  
  
       7.48    7.56
       8.08    8.16
   
        831.93137615 
        831.93267968 
        831.93181066 
   
  
  
       7.49    7.55
       8.09    8.15
   
        829.97994663 
        830.06563155 
        830.00850827 
   
  
  
       6.94    7.00
       7.51    7.57
   
        804.36983795 
        804.42892004 
        804.38953198 
   
  
  
       7.59    7.65
       8.15    8.21
   
        816.66223038 
        816.66630637 
        816.66358905 
   
  
  
       7.25    7.31
       7.82    7.88
   
        816.12883894 
        816.10765591 
        816.12177793 
   
  
  
       7.14    7.20
       7.72    7.77
   
        814.56278397 
        814.54228882 
        814.55595225 
   
  
  
       7.70    7.75
       8.26    8.32
   
        812.44433751 
        812.41437694 
        812.43435065 
   
  
  
       7.69    7.78
       8.27    8.36
   
        812.69542330 
        812.66395718 
        812.68493459 
   
  
  
       6.49    6.54
       7.07    7.13
   
        811.21917817 
        811.21788164 
        811.21874599 
   
  
  
       6.36    6.41
       6.93    6.99
   
        812.20120866 
        812.22472132 
        812.20904621 
   
  
  
       6.64    6.71
       7.23    7.29
   
        810.86738115 
        810.84593141 
        810.86023124 
   
  
  
       6.58    6.65
       7.16    7.23
   
        809.10187641 
        809.14053455 
        809.11476246 
   
  
  
       6.74    6.80
       7.31    7.38
   
        807.41501284 
        807.42474236 
        807.41825602 
   
  
  
       6.05    6.11
       6.62    6.69
   
        806.84452065 
        806.85913383 
        806.84939171 
   
  
  
       6.10    6.16
       6.68    6.74
   
        824.86586566 
        824.87249860 
        824.86807664 
   
  
  
       7.42    7.48
       7.99    8.05
   
        830.09317345 
        830.08583143 
        830.09072611 
   
  
  
       6.87    6.94
       7.45    7.52
   
        831.21355648 
        831.20673137 
        831.21128145 
   
  
  
       7.46    7.52
       8.04    8.10
   
        833.89539750 
        833.84829807 
        833.87969769 
   
  
  
       7.36    7.42
       7.95    8.01
   
        833.55580716 
        833.50414837 
        833.53858756 
   
  
  
       7.03    7.09
       7.62    7.69
   
        832.56819990 
        832.56699441 
        832.56779807 
   
  
  
       6.61    6.66
       7.19    7.24
   
        830.93390779 
        830.96357630 
        830.94379729 
   
  
  
       7.10    7.16
       7.69    7.75
   
        824.65630988 
        824.64811345 
        824.65357774 
   
  
  
       6.65    6.72
       7.25    7.33
   
        826.04167291 
        826.01680544 
        826.03338375 
   
  
  
       8.38    8.45
       8.98    9.06
   
        825.70104993 
        825.67492064 
        825.69234016 
   
  
  
       7.45    7.52
       8.07    8.14
   
        826.19483370 
        826.16887144 
        826.18617961 
   
  
  
       7.28    7.35
       7.89    7.96
   
        826.27372570 
        826.24974969 
        826.26573370 
   
  
  
       6.15    6.21
       6.76    6.82
   
        830.40694213 
        830.39553698 
        830.40314041 
   
  
  
       7.16    7.21
       7.76    7.81
   
        851.50437822 
        851.51240204 
        851.50705283 
   
  
  
       7.25    7.31
       7.85    7.91
   
        853.76940747 
        853.76933302 
        853.76938265 
   
  
  
       6.81    6.86
       7.41    7.47
   
        854.11834022 
        854.12354968 
        854.12007671 
   
  
  
       6.62    6.68
       7.23    7.29
   
        853.22708172 
        853.25419759 
        853.23612034 
   
  
  
       7.52    7.59
       8.15    8.21
   
        854.29471139 
        854.30965183 
        854.29969153 
   
  
  
       5.43    5.49
       6.12    6.18
   
        857.02979213 
        857.04295386 
        857.03417937 
   
  
  
       5.26    5.31
       5.96    6.02
   
        860.66935913 
        860.67291954 
        860.67054593 
   
  
  
       5.05    5.11
       5.69    5.75
   
        860.80960587 
        860.82424570 
        860.81448582 
   
  
  
       4.95    5.01
       5.58    5.64
   
        860.45346161 
        860.45996097 
        860.45562807 
   
  
  
       4.76    4.81
       5.38    5.44
   
        861.32060206 
        861.31310924 
        861.31810445 
   
  
  
       5.37    5.43
       6.00    6.06
   
        861.28413993 
        861.27743172 
        861.28190386 
   
  
  
       5.12    5.18
       5.71    5.77
   
        828.27512971 
        828.31830634 
        828.28952192 
   
  
  
       5.68    5.74
       6.28    6.35
   
        827.07241165 
        827.08163857 
        827.07548729 
   
  
  
       5.42    5.47
       6.02    6.08
   
        819.96230829 
        819.97755179 
        819.96738945 
   
  
  
       5.13    5.18
       5.74    5.80
   
        817.13226608 
        817.16540025 
        817.14331080 
   
  
  
       5.11    5.17
       5.72    5.77
   
        812.00896928 
        812.04725383 
        812.02173080 
   
  
  
       4.94    4.99
       5.55    5.60
   
        996.83793073 
        996.83119206 
        996.83568450 
   
  
  
       4.87    4.92
       5.49    5.54
   
        957.49370886 
        957.50204493 
        957.49648755 
   
  
  
       5.95    6.00
       6.55    6.61
   
        950.22600192 
        950.23591431 
        950.22930605 
   
  
  
       5.16    5.23
       5.81    5.88
   
        953.79671610 
        953.81434174 
        953.80259132 
   
  
  
       4.78    4.84
       5.38    5.45
   
        943.70831231 
        943.70299888 
        943.70654117 
   
  
  
       4.68    4.74
       5.30    5.36
   
        971.23383585 
        971.22668067 
        971.23145079 
   
  
  
       5.20    5.25
       5.81    5.87
   
        987.03897217 
        987.03947582 
        987.03914005 
   
  
  
       6.40    6.45
       7.01    7.07
   
     -15671.65825688 
     -15671.62806947 
     -15671.64819441 
   
  
  
       3.59    3.65
       4.24    4.30
   
       1067.66715934 
       1067.66927750 
       1067.66786539 
   
  
  
       3.21    3.26
       3.84    3.90
   
       1056.56433528 
       1056.54701534 
       1056.55856197 
   
  
  
       3.65    3.70
       4.23    4.29
   
        861.77800918 
        861.76367240 
        861.77323025 
   
  
  
       3.79    3.84
       4.36    4.42
   
       1035.76130372 
       1035.74028550 
       1035.75429764 
   
  
  
       3.30    3.36
       3.89    3.94
   
        979.55689043 
        979.54091834 
        979.55156640 
   
  
  
       3.90    3.95
       4.50    4.55
   
        981.72554578 
        981.70602299 
        981.71903818 
   
  
  
       3.87    3.93
       4.45    4.51
   
        991.40150571 
        991.40226857 
        991.40176000