vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 10 
  19:06:50 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       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 
    
   
   
           0.32511156       0.43799761       0.48594368 
           0.33129575       0.45619038       0.55235962 
           0.36417605       0.39619482       0.46975622 
           0.27792720       0.70513273       0.68315693 
           0.23015753       0.60358681       0.67724231 
           0.30979511       0.60478480       0.73140494 
           0.33622467       0.83254055       0.39826785 
           0.25596657       0.80951881       0.44557325 
           0.32844094       0.81714080       0.51604462 
           0.11572567       0.43711726       0.59665624 
           0.14402572       0.32480272       0.60755359 
           0.16408658       0.40538844       0.69164054 
           0.34053614       0.15898520       0.55521461 
           0.25481318       0.16560112       0.51799813 
           0.32112595       0.14214855       0.43966538 
           0.17649617       0.69049379       0.52170636 
           0.17618298       0.63257448       0.41803856 
           0.17060486       0.57173986       0.52003455 
           0.18705258       0.44229338       0.37572976 
           0.25200018       0.38052881       0.32197577 
           0.17661667       0.32752436       0.35375844 
           0.30186884       0.50689165       0.36735592 
           0.37761644       0.54092760       0.41772844 
           0.32565572       0.52046984       0.43183437 
           0.28095803       0.63211443       0.67521411 
           0.30993887       0.79484000       0.45042100 
           0.15753999       0.39502491       0.61938822 
           0.30750036       0.18085449       0.50016527 
           0.19382051       0.62970408       0.48748064 
           0.21331783       0.37787482       0.37461661 
           0.24870615       0.34902975       0.48963524 
           0.28684153       0.61905025       0.49061584 
           0.31473926       0.60896368       0.59454378 
           0.32331948       0.70236005       0.43710032 
           0.21776809       0.41685468       0.57290468 
           0.31554256       0.27474488       0.48511496 
   
  
  
           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 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       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       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       62
       -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
   
   
         1
     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  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000004
           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
  
  
        1
        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
       60
        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 
   
  
  
          0.32511156       0.43799761       0.48594368 
          0.33129575       0.45619038       0.55235962 
          0.36417605       0.39619482       0.46975622 
          0.27792720       0.70513273       0.68315693 
          0.23015753       0.60358681       0.67724231 
          0.30979511       0.60478480       0.73140494 
          0.33622467       0.83254055       0.39826785 
          0.25596657       0.80951881       0.44557325 
          0.32844094       0.81714080       0.51604462 
          0.11572567       0.43711726       0.59665624 
          0.14402572       0.32480272       0.60755359 
          0.16408658       0.40538844       0.69164054 
          0.34053614       0.15898520       0.55521461 
          0.25481318       0.16560112       0.51799813 
          0.32112595       0.14214855       0.43966538 
          0.17649617       0.69049379       0.52170636 
          0.17618298       0.63257448       0.41803856 
          0.17060486       0.57173986       0.52003455 
          0.18705258       0.44229338       0.37572976 
          0.25200018       0.38052881       0.32197577 
          0.17661667       0.32752436       0.35375844 
          0.30186884       0.50689165       0.36735592 
          0.37761644       0.54092760       0.41772844 
          0.32565572       0.52046984       0.43183437 
          0.28095803       0.63211443       0.67521411 
          0.30993887       0.79484000       0.45042100 
          0.15753999       0.39502491       0.61938822 
          0.30750036       0.18085449       0.50016527 
          0.19382051       0.62970408       0.48748064 
          0.21331783       0.37787482       0.37461661 
          0.24870615       0.34902975       0.48963524 
          0.28684153       0.61905025       0.49061584 
          0.31473926       0.60896368       0.59454378 
          0.32331948       0.70236005       0.43710032 
          0.21776809       0.41685468       0.57290468 
          0.31554256       0.27474488       0.48511496 
  
 
 
  
      21.46   21.67
      22.44   22.65
   
          6.34847707 
       6845.20961114 
      -9406.10540573 
        255.63612479 
       2573.98116666 
      -2551.36142167 
          0.00120153 
       -535.01279177 
       3504.07976474 
        692.77672675 
        692.77552523 
        692.77632624 
   
  
  
      25.90   25.90
      25.90   25.90
   
        114.89688330 
        114.91138689 
        114.90171783 
   
  
  
      22.17   22.16
      22.17   22.16
   
       -174.99213359 
       -174.95356611 
       -174.97927776 
   
  
  
      21.26   21.26
      21.26   21.26
   
       -211.81909317 
       -211.76281739 
       -211.80033458 
   
  
  
      22.72   22.71
      23.14   23.13
   
       -212.80759999 
       -212.75118106 
       -212.78879368 
   
  
  
      21.21   21.20
      22.44   22.43
   
       -195.08087928 
       -195.02446059 
       -195.06207305 
   
  
  
      21.97   21.97
      23.31   23.30
   
       -192.53703333 
       -192.48061475 
       -192.51822713 
   
  
  
      21.68   21.68
      22.93   22.92
   
       -191.83327815 
       -191.77686014 
       -191.81447215 
   
  
  
      21.79   21.79
      23.08   23.07
   
       -191.69820664 
       -191.64179011 
       -191.67940113 
   
  
  
      21.54   21.54
      22.85   22.84
   
       -191.67444589 
       -191.61803011 
       -191.65564063 
   
  
  
      20.78   20.78
      22.27   22.26
   
       -191.66468363 
       -191.60826845 
       -191.64587857 
   
  
  
      20.42   20.42
      21.96   21.96
   
       -191.65985500 
       -191.60344065 
       -191.64105021 
   
  
  
      19.94   19.94
      21.58   21.57
   
       -191.66388767 
       -191.60747323 
       -191.64508285 
   
  
  
      20.49   20.49
      21.84   21.84
   
       -191.66910571 
       -191.61269008 
       -191.65030050 
   
  
  
      21.04   21.04
      22.43   22.43
   
       -191.67408590 
       -191.61766981 
       -191.65528054 
   
  
  
      20.48   20.48
      21.77   21.77
   
       -191.67911452 
       -191.62269834 
       -191.66030913 
   
  
  
      20.70   20.70
      22.03   22.02
   
       -191.68396571 
       -191.62754964 
       -191.66516035 
   
  
  
      20.48   20.48
      21.81   21.81
   
       -191.68607686 
       -191.62966091 
       -191.66727154 
   
  
  
      19.11   19.10
      20.46   20.46
   
       -191.68714419 
       -191.63072838 
       -191.66833892 
   
  
  
      17.20   17.20
      18.60   18.60
   
       -191.68749189 
       -191.63107619 
       -191.66868666 
   
  
  
      15.54   15.54
      16.89   16.88
   
       -191.68781767 
       -191.63140212 
       -191.66901249 
   
  
  
      17.17   17.17
      18.56   18.56
   
       -191.68791554 
       -191.63150006 
       -191.66911038 
   
  
  
      15.06   15.05
      16.50   16.49
   
       -191.68801424 
       -191.63159887 
       -191.66920912 
   
  
  
      17.03   17.03
      18.38   18.38
   
       -191.68803822 
       -191.63162287 
       -191.66923311 
   
  
  
      13.94   13.94
      15.31   15.31
   
       -191.68805792 
       -191.63164260 
       -191.66925281 
   
  
  
      12.70   12.70
      13.64   13.64
   
          6.34847707 
       6845.20961114 
      -9795.75102814 
        275.23453876 
       7160.16911384 
      -7139.91797447 
         -0.05641532 
      -1047.00415108 
       3504.07976474 
       -191.68806346 
       -191.63164815 
       -191.66925836 
   
  
  
   
    
           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 
    
   
   
           0.32511156       0.43799761       0.48594368 
           0.33129575       0.45619038       0.55235962 
           0.36417605       0.39619482       0.46975622 
           0.27792720       0.70513273       0.68315693 
           0.23015753       0.60358681       0.67724231 
           0.30979511       0.60478480       0.73140494 
           0.33622467       0.83254055       0.39826785 
           0.25596657       0.80951881       0.44557325 
           0.32844094       0.81714080       0.51604462 
           0.11572567       0.43711726       0.59665624 
           0.14402572       0.32480272       0.60755359 
           0.16408658       0.40538844       0.69164054 
           0.34053614       0.15898520       0.55521461 
           0.25481318       0.16560112       0.51799813 
           0.32112595       0.14214855       0.43966538 
           0.17649617       0.69049379       0.52170636 
           0.17618298       0.63257448       0.41803856 
           0.17060486       0.57173986       0.52003455 
           0.18705258       0.44229338       0.37572976 
           0.25200018       0.38052881       0.32197577 
           0.17661667       0.32752436       0.35375844 
           0.30186884       0.50689165       0.36735592 
           0.37761644       0.54092760       0.41772844 
           0.32565572       0.52046984       0.43183437 
           0.28095803       0.63211443       0.67521411 
           0.30993887       0.79484000       0.45042100 
           0.15753999       0.39502491       0.61938822 
           0.30750036       0.18085449       0.50016527 
           0.19382051       0.62970408       0.48748064 
           0.21331783       0.37787482       0.37461661 
           0.24870615       0.34902975       0.48963524 
           0.28684153       0.61905025       0.49061584 
           0.31473926       0.60896368       0.59454378 
           0.32331948       0.70236005       0.43710032 
           0.21776809       0.41685468       0.57290468 
           0.31554256       0.27474488       0.48511496 
   
  
  
          0.11995083      -0.24607300       0.62001620 
         -0.00159324      -0.17338543      -0.34782898 
         -0.05377437       0.09073569       0.01994260 
         -0.01575524      -0.01342420       0.00529913 
          0.01789881       0.00957566       0.00037684 
         -0.01174276       0.00787879      -0.03839895 
         -0.00267139       0.00159210      -0.00037225 
          0.01412131       0.02402331       0.00481891 
         -0.01124487       0.02086111      -0.01360824 
         -0.00228655       0.07231657      -0.05788907 
         -0.06982044      -0.13690235       0.00939763 
          0.11495352       0.03159576      -0.04066579 
         -0.08692848       0.12055052      -0.08457014 
          0.15757296      -0.00854696      -0.02594114 
         -0.06501213       0.26901726       0.14318050 
          0.00002169      -0.03634363      -0.02891706 
         -0.02006553       0.01091383       0.00155686 
          0.00477447       0.01704664      -0.00974458 
         -0.03242868       0.09940329       0.05621211 
          0.04036276      -0.03236243       0.05825117 
          0.01829988      -0.03732903       0.05318731 
         -0.02167079       0.07057283      -0.05214664 
         -0.01820269      -0.04379170       0.00136132 
         -0.01317088       0.14820567      -0.11383744 
          0.02341607      -0.02119475      -0.04493691 
         -0.01175703      -0.06349357       0.01191064 
         -0.00376392      -0.05378715       0.02381409 
         -0.05990193      -0.07166480      -0.02934675 
          0.03102053       0.01450744       0.01490503 
          0.00681651      -0.11851823      -0.10142336 
          0.13812489      -0.02466529      -0.13020726 
         -0.05109097       0.10036303       0.08137938 
         -0.00814932      -0.02181997      -0.03341214 
          0.01055576       0.07357851      -0.01130511 
          0.02925768       0.04490306       0.02560554 
         -0.16611644      -0.12433855       0.03333657 
  
  
         -2.12920443       0.10538780       0.02539205 
          0.10538779      -1.87927855      -0.18432273 
          0.02539204      -0.18432273      -2.22083333 
  
  
      -191.68806346 
      -191.63164815 
      -191.66925836 
  
    570.37  570.55
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -25.1194    1.0000 
         -24.7124    1.0000 
         -24.2798    1.0000 
         -23.9888    1.0000 
         -22.8166    1.0000 
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