vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  21:20:49 
 
 
  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 
    
   
   
           0.66428633       0.47878887       0.59527242 
           0.68363821       0.45747115       0.65593791 
           0.69575325       0.44799856       0.54907152 
           0.15310945       0.51646911       0.36790727 
           0.21011535       0.60857933       0.36692284 
           0.22257684       0.51688242       0.29312321 
           0.11296050       0.54681155       0.65738864 
           0.15185690       0.63552043       0.59774353 
           0.10882685       0.54895848       0.53869415 
           0.42141565       0.42835754       0.29489910 
           0.42099806       0.33806998       0.37251072 
           0.34814573       0.40718513       0.35998470 
           0.54353577       0.28102982       0.57455950 
           0.54045495       0.35114957       0.47560887 
           0.56998314       0.39119662       0.57787378 
           0.24913961       0.68801777       0.50448770 
           0.30720443       0.66551836       0.59074445 
           0.33171958       0.65448690       0.47718177 
           0.44313230       0.62118132       0.55876050 
           0.45273493       0.55605983       0.65847393 
           0.51547682       0.55222442       0.57487020 
           0.32731559       0.44345968       0.64127575 
           0.31246715       0.37600019       0.54729190 
           0.33104707       0.44239207       0.56780304 
           0.20614224       0.53540962       0.36064432 
           0.14118517       0.56326404       0.59658308 
           0.40323560       0.40675278       0.36072421 
           0.53185941       0.34825396       0.54888600 
           0.29044390       0.64371134       0.52437321 
           0.46122562       0.55776965       0.58593854 
           0.42201782       0.45757447       0.53580412 
           0.26536290       0.52300992       0.52650197 
           0.24686571       0.48949638       0.42354126 
           0.20064294       0.51081405       0.59530942 
           0.42893750       0.46703512       0.42612939 
           0.46844277       0.37542651       0.57708666 
   
  
  
           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 
   
  
  
          0.66428633       0.47878887       0.59527242 
          0.68363821       0.45747115       0.65593791 
          0.69575325       0.44799856       0.54907152 
          0.15310945       0.51646911       0.36790727 
          0.21011535       0.60857933       0.36692284 
          0.22257684       0.51688242       0.29312321 
          0.11296050       0.54681155       0.65738864 
          0.15185690       0.63552043       0.59774353 
          0.10882685       0.54895848       0.53869415 
          0.42141565       0.42835754       0.29489910 
          0.42099806       0.33806998       0.37251072 
          0.34814573       0.40718513       0.35998470 
          0.54353577       0.28102982       0.57455950 
          0.54045495       0.35114957       0.47560887 
          0.56998314       0.39119662       0.57787378 
          0.24913961       0.68801777       0.50448770 
          0.30720443       0.66551836       0.59074445 
          0.33171958       0.65448690       0.47718177 
          0.44313230       0.62118132       0.55876050 
          0.45273493       0.55605983       0.65847393 
          0.51547682       0.55222442       0.57487020 
          0.32731559       0.44345968       0.64127575 
          0.31246715       0.37600019       0.54729190 
          0.33104707       0.44239207       0.56780304 
          0.20614224       0.53540962       0.36064432 
          0.14118517       0.56326404       0.59658308 
          0.40323560       0.40675278       0.36072421 
          0.53185941       0.34825396       0.54888600 
          0.29044390       0.64371134       0.52437321 
          0.46122562       0.55776965       0.58593854 
          0.42201782       0.45757447       0.53580412 
          0.26536290       0.52300992       0.52650197 
          0.24686571       0.48949638       0.42354126 
          0.20064294       0.51081405       0.59530942 
          0.42893750       0.46703512       0.42612939 
          0.46844277       0.37542651       0.57708666 
  
 
 
  
       4.68    4.81
       7.35    7.48
   
          6.34847707 
       5798.54287878 
      -8363.22071183 
        264.16795472 
       2564.72054280 
      -2541.99018201 
          0.02454521 
       -543.78448227 
       3504.07976474 
        688.88878722 
        688.86424201 
        688.88060548 
   
  
  
       5.98    6.00
       5.98    6.00
   
        103.76566720 
        103.79088390 
        103.77407277 
   
  
  
       5.09    5.11
       5.09    5.11
   
       -146.91638401 
       -146.92672597 
       -146.91983133 
   
  
  
       4.99    5.01
       4.99    5.01
   
       -169.16423213 
       -169.18091418 
       -169.16979282 
   
  
  
       4.45    4.48
       5.24    5.28
   
       -169.64421657 
       -169.66105247 
       -169.64982854 
   
  
  
       3.52    3.57
       8.07    8.15
   
        -70.02599161 
        -70.05167281 
        -70.03455201 
   
  
  
       3.99    4.06
       8.72    8.81
   
       -119.60497577 
       -119.62654891 
       -119.61216682 
   
  
  
       3.41    3.45
       8.14    8.23
   
       -134.40316652 
       -134.42088714 
       -134.40907340 
   
  
  
       2.90    2.97
       6.80    6.88
   
       -164.10650342 
       -164.12826448 
       -164.11375710 
   
  
  
       3.39    3.46
       7.10    7.18
   
       -176.28119184 
       -176.30802995 
       -176.29013787 
   
  
  
       2.86    2.92
       6.66    6.73
   
       -184.04516598 
       -184.07756350 
       -184.05596515 
   
  
  
       3.12    3.17
       6.91    6.97
   
       -188.22527207 
       -188.25589066 
       -188.23547827 
   
  
  
       2.93    3.02
       6.77    6.88
   
       -189.55815863 
       -189.58483785 
       -189.56705170 
   
  
  
       3.14    3.20
       7.12    7.18
   
       -190.46867313 
       -190.49872582 
       -190.47869069 
   
  
  
       3.18    3.26
       7.29    7.37
   
       -190.95592412 
       -190.98553105 
       -190.96579310 
   
  
  
       2.99    3.09
       6.92    7.03
   
       -191.25975733 
       -191.29009921 
       -191.26987129 
   
  
  
       2.64    2.78
       6.69    6.83
   
       -191.67385904 
       -191.70365584 
       -191.68379130 
   
  
  
       2.79    2.86
       6.64    6.71
   
       -191.83029627 
       -191.86031591 
       -191.84030282 
   
  
  
       2.84    2.92
       7.13    7.22
   
       -191.92332070 
       -191.95354562 
       -191.93339567 
   
  
  
       3.14    3.19
       7.68    7.76
   
       -192.00840530 
       -192.03866150 
       -192.01849070 
   
  
  
       3.11    3.17
       7.76    7.84
   
       -192.02410941 
       -192.05430923 
       -192.03417601 
   
  
  
       3.05    3.20
       7.31    7.49
   
       -192.02708490 
       -192.05728763 
       -192.03715248 
   
  
  
       2.19    2.24
       5.85    5.92
   
       -192.02794188 
       -192.05814900 
       -192.03801092 
   
  
  
       2.88    2.97
       6.87    6.97
   
       -192.02842196 
       -192.05862121 
       -192.03848838 
   
  
  
       2.73    2.79
       7.14    7.21
   
       -192.02861927 
       -192.05881755 
       -192.03868536 
   
  
  
       2.56    2.62
       6.98    7.05
   
       -192.02899627 
       -192.05918965 
       -192.03906073 
   
  
  
       2.01    2.12
       6.39    6.53
   
       -192.02921317 
       -192.05940738 
       -192.03927791 
   
  
  
       2.53    2.59
       6.51    6.58
   
       -192.02928052 
       -192.05948057 
       -192.03934720 
   
  
  
       2.33    2.36
       6.76    6.80
   
       -192.02929862 
       -192.05950104 
       -192.03936610 
   
  
  
       2.45    2.52
       5.59    5.66
   
          6.34847707 
       5798.54287878 
      -8766.58600946 
        274.97723185 
       7355.38809416 
      -7335.20067374 
          0.03020075 
      -1029.60926501 
       3504.07976474 
       -192.02930087 
       -192.05950162 
       -192.03936778 
   
  
  
   
    
           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 
    
   
   
           0.66428633       0.47878887       0.59527242 
           0.68363821       0.45747115       0.65593791 
           0.69575325       0.44799856       0.54907152 
           0.15310945       0.51646911       0.36790727 
           0.21011535       0.60857933       0.36692284 
           0.22257684       0.51688242       0.29312321 
           0.11296050       0.54681155       0.65738864 
           0.15185690       0.63552043       0.59774353 
           0.10882685       0.54895848       0.53869415 
           0.42141565       0.42835754       0.29489910 
           0.42099806       0.33806998       0.37251072 
           0.34814573       0.40718513       0.35998470 
           0.54353577       0.28102982       0.57455950 
           0.54045495       0.35114957       0.47560887 
           0.56998314       0.39119662       0.57787378 
           0.24913961       0.68801777       0.50448770 
           0.30720443       0.66551836       0.59074445 
           0.33171958       0.65448690       0.47718177 
           0.44313230       0.62118132       0.55876050 
           0.45273493       0.55605983       0.65847393 
           0.51547682       0.55222442       0.57487020 
           0.32731559       0.44345968       0.64127575 
           0.31246715       0.37600019       0.54729190 
           0.33104707       0.44239207       0.56780304 
           0.20614224       0.53540962       0.36064432 
           0.14118517       0.56326404       0.59658308 
           0.40323560       0.40675278       0.36072421 
           0.53185941       0.34825396       0.54888600 
           0.29044390       0.64371134       0.52437321 
           0.46122562       0.55776965       0.58593854 
           0.42201782       0.45757447       0.53580412 
           0.26536290       0.52300992       0.52650197 
           0.24686571       0.48949638       0.42354126 
           0.20064294       0.51081405       0.59530942 
           0.42893750       0.46703512       0.42612939 
           0.46844277       0.37542651       0.57708666 
   
  
  
          0.04277740      -0.04860214      -0.11996759 
          0.00272119      -0.02751011      -0.01490349 
         -0.10201163       0.06125569       0.13311655 
          0.00603422      -0.01134528       0.02354182 
          0.01470229      -0.00524105       0.01803132 
          0.00588713      -0.00874392      -0.00970946 
          0.03760380      -0.02299480       0.00579836 
          0.03811069      -0.01385448      -0.00495463 
          0.03031285      -0.02305390      -0.01564719 
          0.01208028       0.01751931       0.04218176 
         -0.01366517      -0.00786779      -0.01055924 
         -0.01574877       0.01575747       0.04468375 
         -0.28731475      -0.05948235      -0.17758756 
         -0.33037522      -0.12551791       0.22075231 
          0.59696990       0.61346817       0.28875441 
         -0.00121325      -0.03163952      -0.00121664 
          0.01595258       0.00039955       0.01022279 
          0.02784498       0.01758792      -0.01191508 
          0.01697653       0.07123341       0.03148458 
          0.00596356       0.09609049      -0.02505603 
          0.03232032       0.15084883       0.00855657 
          0.05851154      -0.03373073       0.00388204 
          0.12092004       0.01044126       0.00322127 
         -0.03673218       0.02405253       0.01458818 
          0.02976276      -0.01404324       0.02662174 
          0.06206140      -0.02912226      -0.00253962 
          0.05307132      -0.01673550       0.04177122 
          0.50250033      -0.32572544      -0.29859322 
          0.00898792      -0.03259819      -0.00173162 
          0.00455609       0.10158728      -0.01281329 
         -0.39163882       0.36695289      -0.06417631 
          0.04088965      -0.02330523       0.01985469 
          0.05132200      -0.00032167       0.00636696 
          0.05487269      -0.00739286      -0.01212188 
          0.11107753      -0.09163806      -0.04804101 
         -0.80609120      -0.58672837      -0.11189646 
  
  
         -2.41166380       0.44871986      -0.01288909 
          0.44871979      -1.42870600       0.15645879 
         -0.01288912       0.15645885      -2.07604026 
  
  
      -192.02930087 
      -192.05950162 
      -192.03936778 
  
    218.20  220.66
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -24.9393    1.0000 
         -24.6904    1.0000 
         -24.3758    1.0000 
         -24.2538    1.0000 
         -20.8319    1.0000 
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