vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  21:20:47 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.78880812       0.40301071       0.58990018 
           0.80719000       0.42912903       0.64984368 
           0.82865326       0.41198304       0.54705266 
           0.14429386       0.51949222       0.36446117 
           0.19730358       0.61563555       0.37140547 
           0.21547216       0.52945386       0.29306138 
           0.10304710       0.55481355       0.65706072 
           0.14444795       0.64322912       0.59951833 
           0.09928717       0.56011492       0.53816502 
           0.41361150       0.43674904       0.29414384 
           0.41118289       0.34607114       0.37148816 
           0.33891556       0.41543223       0.35656143 
           0.52008655       0.27385338       0.57314871 
           0.52597397       0.34972718       0.48138663 
           0.54526819       0.38687354       0.59200633 
           0.24066744       0.69447989       0.50490844 
           0.29689714       0.67029946       0.59298200 
           0.32340308       0.65954222       0.48015841 
           0.43466134       0.62081939       0.55901957 
           0.44325427       0.55820808       0.65906858 
           0.50615575       0.55310358       0.57560148 
           0.31703727       0.44981485       0.64141370 
           0.30159079       0.38151252       0.54817309 
           0.31866914       0.44865603       0.56787911 
           0.19656568       0.54280914       0.36070877 
           0.13170152       0.57163384       0.59670264 
           0.39402681       0.41481698       0.35899173 
           0.51196538       0.34326956       0.55255359 
           0.28107967       0.64925570       0.52589864 
           0.45192849       0.55711286       0.58672144 
           0.40836487       0.46013970       0.53436801 
           0.25487621       0.52901509       0.52647834 
           0.23724332       0.49626725       0.42307648 
           0.18961670       0.51667334       0.59426898 
           0.41808340       0.47509955       0.42533593 
           0.44292590       0.36422934       0.56639695 
   
  
  
           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 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
        87.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -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      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      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  
   
   
        95
        -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
   
  
  
       98
       80
       80
      196
      160
      160
    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
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      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
        75.00000000
         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
       95
        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  
  
 
 
        36 
         5 
  
   ion
   element
   atomtype
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.78880812       0.40301071       0.58990018 
          0.80719000       0.42912903       0.64984368 
          0.82865326       0.41198304       0.54705266 
          0.14429386       0.51949222       0.36446117 
          0.19730358       0.61563555       0.37140547 
          0.21547216       0.52945386       0.29306138 
          0.10304710       0.55481355       0.65706072 
          0.14444795       0.64322912       0.59951833 
          0.09928717       0.56011492       0.53816502 
          0.41361150       0.43674904       0.29414384 
          0.41118289       0.34607114       0.37148816 
          0.33891556       0.41543223       0.35656143 
          0.52008655       0.27385338       0.57314871 
          0.52597397       0.34972718       0.48138663 
          0.54526819       0.38687354       0.59200633 
          0.24066744       0.69447989       0.50490844 
          0.29689714       0.67029946       0.59298200 
          0.32340308       0.65954222       0.48015841 
          0.43466134       0.62081939       0.55901957 
          0.44325427       0.55820808       0.65906858 
          0.50615575       0.55310358       0.57560148 
          0.31703727       0.44981485       0.64141370 
          0.30159079       0.38151252       0.54817309 
          0.31866914       0.44865603       0.56787911 
          0.19656568       0.54280914       0.36070877 
          0.13170152       0.57163384       0.59670264 
          0.39402681       0.41481698       0.35899173 
          0.51196538       0.34326956       0.55255359 
          0.28107967       0.64925570       0.52589864 
          0.45192849       0.55711286       0.58672144 
          0.40836487       0.46013970       0.53436801 
          0.25487621       0.52901509       0.52647834 
          0.23724332       0.49626725       0.42307648 
          0.18961670       0.51667334       0.59426898 
          0.41808340       0.47509955       0.42533593 
          0.44292590       0.36422934       0.56639695 
  
 
 
  
       4.19    4.36
       8.16    8.35
   
          6.34847707 
       5570.29059038 
      -8135.65063695 
        264.02350502 
       2564.72054280 
      -2541.99018201 
         -0.00402094 
       -609.85312041 
       3504.07976474 
        621.96491970 
        621.96894064 
        621.96626002 
   
  
  
       5.94    5.95
       5.94    5.95
   
         79.51182324 
         79.49460766 
         79.50608471 
   
  
  
       4.93    4.94
       4.93    4.94
   
       -147.62012304 
       -147.61991730 
       -147.62005446 
   
  
  
       4.93    4.94
       4.93    4.94
   
       -169.26765564 
       -169.28179312 
       -169.27236814 
   
  
  
       5.05    5.06
       5.46    5.48
   
       -169.73394461 
       -169.74854523 
       -169.73881148 
   
  
  
       3.43    3.52
       7.61    7.71
   
        -71.15753265 
        -71.17430837 
        -71.16312456 
   
  
  
       3.14    3.21
       6.88    6.98
   
       -121.45286090 
       -121.46948789 
       -121.45840323 
   
  
  
       2.91    2.95
       6.36    6.41
   
       -136.39591006 
       -136.41481507 
       -136.40221173 
   
  
  
       3.24    3.31
       7.14    7.22
   
       -165.22112000 
       -165.24817067 
       -165.23013689 
   
  
  
       2.95    3.02
       6.84    6.93
   
       -176.83849227 
       -176.87161821 
       -176.84953425 
   
  
  
       2.62    2.69
       6.52    6.61
   
       -183.63143382 
       -183.66184016 
       -183.64156926 
   
  
  
       3.33    3.39
       7.97    8.05
   
       -188.23525867 
       -188.26240674 
       -188.24430803 
   
  
  
       3.26    3.32
       7.52    7.60
   
       -189.32925703 
       -189.36379431 
       -189.34076946 
   
  
  
       2.71    2.79
       6.56    6.65
   
       -190.40554166 
       -190.43837659 
       -190.41648664 
   
  
  
       2.91    2.93
       7.04    7.07
   
       -190.70751023 
       -190.74278585 
       -190.71926877 
   
  
  
       2.95    3.00
       7.55    7.60
   
       -191.29092264 
       -191.32614116 
       -191.30266215 
   
  
  
       2.92    2.97
       7.09    7.14
   
       -191.68559246 
       -191.72078017 
       -191.69732169 
   
  
  
       2.95    3.03
       6.91    7.00
   
       -191.90103853 
       -191.93644283 
       -191.91283997 
   
  
  
       2.80    2.86
       6.74    6.80
   
       -192.05144771 
       -192.08689605 
       -192.06326382 
   
  
  
       2.47    2.53
       6.48    6.54
   
       -192.11816761 
       -192.15356879 
       -192.12996800 
   
  
  
       3.03    3.10
       7.16    7.27
   
       -192.13309376 
       -192.16848052 
       -192.14488934 
   
  
  
       3.05    3.13
       7.19    7.28
   
       -192.13598669 
       -192.17138861 
       -192.14778733 
   
  
  
       2.87    2.97
       7.20    7.32
   
       -192.13756505 
       -192.17297851 
       -192.14936953 
   
  
  
       2.37    2.47
       6.53    6.65
   
       -192.13788742 
       -192.17330291 
       -192.14969258 
   
  
  
       2.20    2.28
       6.11    6.19
   
       -192.13824345 
       -192.17365990 
       -192.15004894 
   
  
  
       2.88    3.01
       7.43    7.58
   
       -192.13861856 
       -192.17403528 
       -192.15042413 
   
  
  
       2.45    2.50
       7.24    7.31
   
       -192.13887430 
       -192.17429041 
       -192.15067967 
   
  
  
       2.80    2.86
       8.07    8.13
   
       -192.13896854 
       -192.17438459 
       -192.15077389 
   
  
  
       2.32    2.40
       7.01    7.13
   
       -192.13898709 
       -192.17440378 
       -192.15079265 
   
  
  
       1.82    1.86
       4.73    4.77
   
          6.34847707 
       5570.29059038 
      -8536.65836487 
        274.94554226 
       7378.77720079 
      -7358.54907228 
          0.03541750 
      -1031.40855083 
       3504.07976474 
       -192.13899522 
       -192.17441272 
       -192.15080105 
   
  
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.78880812       0.40301071       0.58990018 
           0.80719000       0.42912903       0.64984368 
           0.82865326       0.41198304       0.54705266 
           0.14429386       0.51949222       0.36446117 
           0.19730358       0.61563555       0.37140547 
           0.21547216       0.52945386       0.29306138 
           0.10304710       0.55481355       0.65706072 
           0.14444795       0.64322912       0.59951833 
           0.09928717       0.56011492       0.53816502 
           0.41361150       0.43674904       0.29414384 
           0.41118289       0.34607114       0.37148816 
           0.33891556       0.41543223       0.35656143 
           0.52008655       0.27385338       0.57314871 
           0.52597397       0.34972718       0.48138663 
           0.54526819       0.38687354       0.59200633 
           0.24066744       0.69447989       0.50490844 
           0.29689714       0.67029946       0.59298200 
           0.32340308       0.65954222       0.48015841 
           0.43466134       0.62081939       0.55901957 
           0.44325427       0.55820808       0.65906858 
           0.50615575       0.55310358       0.57560148 
           0.31703727       0.44981485       0.64141370 
           0.30159079       0.38151252       0.54817309 
           0.31866914       0.44865603       0.56787911 
           0.19656568       0.54280914       0.36070877 
           0.13170152       0.57163384       0.59670264 
           0.39402681       0.41481698       0.35899173 
           0.51196538       0.34326956       0.55255359 
           0.28107967       0.64925570       0.52589864 
           0.45192849       0.55711286       0.58672144 
           0.40836487       0.46013970       0.53436801 
           0.25487621       0.52901509       0.52647834 
           0.23724332       0.49626725       0.42307648 
           0.18961670       0.51667334       0.59426898 
           0.41808340       0.47509955       0.42533593 
           0.44292590       0.36422934       0.56639695 
   
  
  
         -0.11802109       0.07364777       0.42156150 
         -0.09968349      -0.10975840      -0.24790595 
          0.21401256       0.03411329      -0.17178643 
          0.01156423       0.00568547       0.00164648 
          0.00599311       0.00316211      -0.00372763 
         -0.00359091      -0.00380910       0.00771059 
          0.00912664       0.00112736      -0.01132079 
          0.00017193      -0.00183440      -0.00060606 
          0.01115692      -0.00008796       0.01320255 
          0.00952182       0.00433537      -0.02474640 
          0.00787325      -0.02870637       0.01167820 
         -0.02180446       0.00340245       0.00009067 
          0.00035367      -0.02460936       0.03330349 
         -0.01756413      -0.01837817       0.12250930 
         -0.05787410      -0.03567768       0.00419730 
          0.00729315      -0.01111642       0.00228988 
          0.00189021       0.00396863      -0.00663367 
         -0.00291169       0.00256970      -0.00067213 
         -0.02807564       0.03476437      -0.02472355 
          0.00148839      -0.00231879       0.04480524 
          0.04660329       0.00166252      -0.01319470 
          0.00424305      -0.00302176       0.01428124 
          0.00837348      -0.01585381      -0.00617430 
         -0.03281639       0.02437120      -0.00390364 
          0.00536700      -0.01958259       0.00639371 
          0.00751920      -0.02213390      -0.00281864 
         -0.00475618       0.02758687       0.02471678 
         -0.06019471       0.10024149      -0.17678732 
          0.00114361      -0.00972035       0.00083184 
         -0.00857646      -0.01724683      -0.00416886 
          0.05977940      -0.09679776       0.00135378 
         -0.03325425       0.02939350      -0.01494142 
          0.00500764      -0.00095055       0.00434613 
          0.00019653       0.00299741       0.00355349 
          0.00555933       0.02758135       0.00674750 
          0.06488510       0.04099333      -0.01110817 
  
  
         -1.85682063      -0.03060092      -0.07067799 
         -0.03060092      -1.90906746      -0.04882379 
         -0.07067799      -0.04882379      -1.88608877 
  
  
      -192.13899522 
      -192.17441272 
      -192.15080105 
  
    216.94  219.26
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -24.8198    1.0000 
         -24.6674    1.0000 
         -24.4007    1.0000 
         -24.1894    1.0000 
         -20.9444    1.0000 
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