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 
    
   
   
           0.81179941       0.39116862       0.58976420 
           0.82863068       0.42111538       0.64803012 
           0.85138717       0.40203449       0.54611898 
           0.14259657       0.52011145       0.36372122 
           0.19473841       0.61695922       0.37224255 
           0.21402176       0.53198422       0.29306396 
           0.10112208       0.55639947       0.65697236 
           0.14293550       0.64475514       0.59988412 
           0.09741365       0.56231915       0.53812268 
           0.41203155       0.43839220       0.29392996 
           0.40919082       0.34751170       0.37108987 
           0.33707207       0.41712498       0.35589233 
           0.51651492       0.27308338       0.57293272 
           0.52417517       0.35016096       0.48257103 
           0.54193799       0.38549826       0.59425343 
           0.23907054       0.69564897       0.50504346 
           0.29490258       0.67115809       0.59344679 
           0.32182004       0.66052017       0.48077293 
           0.43296921       0.62092538       0.55900603 
           0.44138089       0.55844186       0.65926064 
           0.50438612       0.55302678       0.57581481 
           0.31500302       0.45099426       0.64135128 
           0.29933944       0.38243063       0.54834670 
           0.31645304       0.44964088       0.56779623 
           0.19467367       0.54424423       0.36068758 
           0.12986626       0.57326771       0.59671587 
           0.39218947       0.41637150       0.35864076 
           0.50899019       0.34267575       0.55286980 
           0.27931805       0.65025475       0.52622196 
           0.45013345       0.55720010       0.58690173 
           0.40621725       0.46062867       0.53422658 
           0.25285939       0.53015712       0.52636337 
           0.23540158       0.49757507       0.42289539 
           0.18751315       0.51787401       0.59400097 
           0.41613312       0.47640211       0.42528611 
           0.44006785       0.36427030       0.56567108 
   
  
  
           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 
   
  
  
          0.81179941       0.39116862       0.58976420 
          0.82863068       0.42111538       0.64803012 
          0.85138717       0.40203449       0.54611898 
          0.14259657       0.52011145       0.36372122 
          0.19473841       0.61695922       0.37224255 
          0.21402176       0.53198422       0.29306396 
          0.10112208       0.55639947       0.65697236 
          0.14293550       0.64475514       0.59988412 
          0.09741365       0.56231915       0.53812268 
          0.41203155       0.43839220       0.29392996 
          0.40919082       0.34751170       0.37108987 
          0.33707207       0.41712498       0.35589233 
          0.51651492       0.27308338       0.57293272 
          0.52417517       0.35016096       0.48257103 
          0.54193799       0.38549826       0.59425343 
          0.23907054       0.69564897       0.50504346 
          0.29490258       0.67115809       0.59344679 
          0.32182004       0.66052017       0.48077293 
          0.43296921       0.62092538       0.55900603 
          0.44138089       0.55844186       0.65926064 
          0.50438612       0.55302678       0.57581481 
          0.31500302       0.45099426       0.64135128 
          0.29933944       0.38243063       0.54834670 
          0.31645304       0.44964088       0.56779623 
          0.19467367       0.54424423       0.36068758 
          0.12986626       0.57326771       0.59671587 
          0.39218947       0.41637150       0.35864076 
          0.50899019       0.34267575       0.55286980 
          0.27931805       0.65025475       0.52622196 
          0.45013345       0.55720010       0.58690173 
          0.40621725       0.46062867       0.53422658 
          0.25285939       0.53015712       0.52636337 
          0.23540158       0.49757507       0.42289539 
          0.18751315       0.51787401       0.59400097 
          0.41613312       0.47640211       0.42528611 
          0.44006785       0.36427030       0.56567108 
  
 
 
  
       3.89    4.12
       7.08    7.32
   
          6.34847707 
       5561.08099016 
      -8126.20351819 
        264.03737304 
       2564.72054280 
      -2541.99018201 
         -0.00176574 
       -610.63495824 
       3504.07976474 
        621.43672364 
        621.43848938 
        621.43731222 
   
  
  
       5.83    5.83
       5.83    5.83
   
         80.83600845 
         80.82240217 
         80.83147303 
   
  
  
       4.95    4.96
       4.95    4.96
   
       -147.71329142 
       -147.71584080 
       -147.71414121 
   
  
  
       4.96    4.96
       4.96    4.96
   
       -169.27556354 
       -169.28996442 
       -169.28036384 
   
  
  
       5.36    5.37
       5.60    5.61
   
       -169.74241974 
       -169.75727346 
       -169.74737098 
   
  
  
       2.46    2.53
       5.81    5.90
   
        -71.32363809 
        -71.34045607 
        -71.32924408 
   
  
  
       2.88    2.98
       6.25    6.35
   
       -121.52036850 
       -121.53704332 
       -121.52592677 
   
  
  
       2.83    2.87
       6.66    6.71
   
       -136.43728812 
       -136.45620608 
       -136.44359411 
   
  
  
       2.73    2.78
       6.57    6.63
   
       -165.09176582 
       -165.11802612 
       -165.10051925 
   
  
  
       3.01    3.11
       6.92    7.03
   
       -176.68580141 
       -176.71875091 
       -176.69678458 
   
  
  
       3.19    3.24
       7.36    7.43
   
       -183.56778990 
       -183.59773011 
       -183.57776997 
   
  
  
       3.01    3.10
       7.29    7.39
   
       -188.25283296 
       -188.28067539 
       -188.26211377 
   
  
  
       3.16    3.31
       7.64    7.80
   
       -189.32409206 
       -189.35860921 
       -189.33559778 
   
  
  
       2.82    2.87
       6.71    6.77
   
       -190.38626373 
       -190.41904479 
       -190.39719075 
   
  
  
       3.11    3.18
       7.41    7.49
   
       -190.72735850 
       -190.76251494 
       -190.73907731 
   
  
  
       3.45    3.60
       7.24    7.39
   
       -191.32370864 
       -191.35890784 
       -191.33544171 
   
  
  
       2.70    2.81
       6.97    7.10
   
       -191.69717081 
       -191.73241576 
       -191.70891913 
   
  
  
       2.87    3.02
       6.27    6.42
   
       -191.90938317 
       -191.94479815 
       -191.92118816 
   
  
  
       2.58    2.62
       6.69    6.72
   
       -192.05667459 
       -192.09211789 
       -192.06848902 
   
  
  
       3.19    3.26
       7.22    7.29
   
       -192.12084893 
       -192.15626338 
       -192.13265374 
   
  
  
       3.17    3.21
       7.53    7.57
   
       -192.13379551 
       -192.16920554 
       -192.14559886 
   
  
  
       2.94    3.05
       7.50    7.62
   
       -192.13667492 
       -192.17210010 
       -192.14848331 
   
  
  
       2.60    2.68
       6.90    6.98
   
       -192.13820306 
       -192.17363854 
       -192.15001489 
   
  
  
       2.80    2.89
       6.32    6.42
   
       -192.13846526 
       -192.17390296 
       -192.15027783 
   
  
  
       2.73    2.80
       7.49    7.57
   
       -192.13883759 
       -192.17427726 
       -192.15065082 
   
  
  
       3.12    3.19
       7.77    7.84
   
       -192.13916957 
       -192.17461029 
       -192.15098315 
   
  
  
       3.11    3.20
       8.85    8.96
   
       -192.13938825 
       -192.17482934 
       -192.15120195 
   
  
  
       2.49    2.57
       7.24    7.36
   
       -192.13950819 
       -192.17494973 
       -192.15132204 
   
  
  
       1.88    1.99
       5.89    5.99
   
       -192.13952490 
       -192.17496689 
       -192.15133890 
   
  
  
       2.43    2.49
       5.28    5.34
   
          6.34847707 
       5561.08099016 
      -8526.23324223 
        274.96540668 
       7386.86318887 
      -7366.63713821 
          0.03544199 
      -1032.64241398 
       3504.07976474 
       -192.13952490 
       -192.17496690 
       -192.15133890 
   
  
  
   
    
           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 
    
   
   
           0.81179941       0.39116862       0.58976420 
           0.82863068       0.42111538       0.64803012 
           0.85138717       0.40203449       0.54611898 
           0.14259657       0.52011145       0.36372122 
           0.19473841       0.61695922       0.37224255 
           0.21402176       0.53198422       0.29306396 
           0.10112208       0.55639947       0.65697236 
           0.14293550       0.64475514       0.59988412 
           0.09741365       0.56231915       0.53812268 
           0.41203155       0.43839220       0.29392996 
           0.40919082       0.34751170       0.37108987 
           0.33707207       0.41712498       0.35589233 
           0.51651492       0.27308338       0.57293272 
           0.52417517       0.35016096       0.48257103 
           0.54193799       0.38549826       0.59425343 
           0.23907054       0.69564897       0.50504346 
           0.29490258       0.67115809       0.59344679 
           0.32182004       0.66052017       0.48077293 
           0.43296921       0.62092538       0.55900603 
           0.44138089       0.55844186       0.65926064 
           0.50438612       0.55302678       0.57581481 
           0.31500302       0.45099426       0.64135128 
           0.29933944       0.38243063       0.54834670 
           0.31645304       0.44964088       0.56779623 
           0.19467367       0.54424423       0.36068758 
           0.12986626       0.57326771       0.59671587 
           0.39218947       0.41637150       0.35864076 
           0.50899019       0.34267575       0.55286980 
           0.27931805       0.65025475       0.52622196 
           0.45013345       0.55720010       0.58690173 
           0.40621725       0.46062867       0.53422658 
           0.25285939       0.53015712       0.52636337 
           0.23540158       0.49757507       0.42289539 
           0.18751315       0.51787401       0.59400097 
           0.41613312       0.47640211       0.42528611 
           0.44006785       0.36427030       0.56567108 
   
  
  
          0.00001501      -0.01003433      -0.04415033 
          0.01362527       0.01399782       0.03041440 
         -0.01520683      -0.00541994       0.01504600 
          0.00601890       0.00379621       0.00134035 
          0.00458963      -0.00209639      -0.00536977 
         -0.00294804      -0.00504249       0.00414307 
          0.00671191      -0.00069874      -0.00601081 
         -0.00197048      -0.00566903       0.00012347 
          0.00542826      -0.00104651       0.00790446 
          0.00343304       0.00145444      -0.01180425 
          0.00095482      -0.01482238       0.00678566 
         -0.01340796       0.00585212       0.00133451 
          0.00036013      -0.07730476       0.02323610 
         -0.00272386      -0.01166131      -0.01682481 
         -0.11019148      -0.11318811      -0.08760149 
          0.00675370      -0.00767056       0.00173276 
          0.00235075       0.00058030      -0.00584316 
         -0.00368358       0.00016157       0.00006490 
         -0.01706266       0.02078592      -0.01073649 
          0.00378392      -0.00255210       0.02865995 
          0.02720702       0.00071597      -0.00936895 
          0.00047942      -0.00317053       0.00790983 
          0.00397567      -0.00895212      -0.00581880 
         -0.01500633       0.01045454      -0.00268600 
          0.00284391      -0.00623234       0.00000051 
          0.00045742      -0.00451169       0.00011214 
         -0.00406068       0.01474546       0.01158696 
          0.04619641       0.23060500       0.09046894 
          0.00363810      -0.00137490      -0.00229748 
         -0.00840300      -0.01123236      -0.00420946 
          0.03567160      -0.03924906      -0.01282093 
         -0.01830163       0.01838462      -0.00740816 
          0.00284824      -0.00195696      -0.00078120 
          0.00085184      -0.00012570       0.00177171 
          0.00395520       0.01346351       0.01961691 
          0.03081635      -0.00098516      -0.01852051 
  
  
         -1.86088463      -0.07148361       0.01106366 
         -0.07148362      -1.88127148      -0.02443217 
          0.01106367      -0.02443216      -1.81510005 
  
  
      -192.13952490 
      -192.17496690 
      -192.15133890 
  
    215.94  218.60
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -24.8400    1.0000 
         -24.6922    1.0000 
         -24.4215    1.0000 
         -24.2208    1.0000 
         -20.9373    1.0000 
         -17.3751    1.0000 
         -16.8674    1.0000 
         -16.5898    1.0000 
         -16.3190    1.0000 
         -16.3036    1.0000 
         -16.0748    1.0000 
         -15.9425    1.0000 
         -12.5425    1.0000 
         -12.1522    1.0000 
         -11.4482    1.0000 
         -11.2452    1.0000 
         -11.2140    1.0000 
         -10.6786    1.0000 
         -10.6461    1.0000 
         -10.4959    1.0000 
         -10.4460    1.0000 
         -10.3334    1.0000 
         -10.2066    1.0000 
         -10.0961    1.0000 
          -9.9169    1.0000 
          -9.8701    1.0000 
          -9.4159    1.0000 
          -9.2818    1.0000 
          -9.1174    1.0000 
          -9.0057    1.0000 
          -8.8508    1.0000 
          -8.5089    1.0000 
          -7.6136    1.0000 
          -7.5042    1.0000 
          -7.3884    1.0000 
          -7.2138    1.0000 
          -7.1388    1.0000 
          -6.9634    1.0000 
          -6.7556    1.0000 
          -6.2689    1.0004 
          -6.1681    1.0036 
          -6.0996    1.0114 
          -5.9672    1.0355 
          -5.8570    0.9491 
          -0.6721   -0.0000 
          -0.3616    0.0000 
          -0.1422    0.0000 
           0.1095    0.0000 
           0.2512    0.0000 
           0.3934    0.0000 
           0.4655    0.0000 
           0.4869    0.0000 
           0.5410    0.0000 
           0.6292    0.0000 
           0.7111    0.0000 
           0.7680    0.0000 
           0.8172    0.0000 
           0.8355    0.0000 
           0.8918    0.0000 
           0.9445    0.0000 
           1.0181    0.0000 
           1.0235    0.0000 
           1.1303    0.0000 
           1.1566    0.0000 
           1.1939    0.0000 
           1.2096    0.0000 
           1.3005    0.0000 
           1.3949    0.0000 
           1.4359    0.0000 
           1.4762    0.0000 
           1.5032    0.0000 
           1.5636    0.0000 
           1.5748    0.0000 
           1.6012    0.0000 
           1.6127    0.0000 
           1.7055    0.0000 
           1.7322    0.0000 
           1.7650    0.0000 
           1.7854    0.0000 
           1.8301    0.0000 
      
     
     
      
         -24.8401    1.0000 
         -24.6922    1.0000 
         -24.4215    1.0000 
         -24.2208    1.0000 
         -19.7059    1.0000 
         -17.3750    1.0000 
         -16.8674    1.0000 
         -16.5898    1.0000 
         -16.3190    1.0000 
         -16.3036    1.0000 
         -16.0748    1.0000 
         -15.9425    1.0000 
         -12.5425    1.0000 
         -12.1522    1.0000 
         -11.4482    1.0000 
         -11.2140    1.0000 
         -10.8936    1.0000 
         -10.6786    1.0000 
         -10.6461    1.0000 
         -10.4959    1.0000 
         -10.4460    1.0000 
         -10.3334    1.0000 
         -10.2066    1.0000 
         -10.0961    1.0000 
          -9.9169    1.0000 
          -9.8701    1.0000 
          -9.4159    1.0000 
          -9.2818    1.0000 
          -9.1174    1.0000 
          -9.0057    1.0000 
          -8.8508    1.0000 
          -8.5089    1.0000 
          -7.6136    1.0000 
          -7.3884    1.0000 
          -7.1388    1.0000 
          -6.9634    1.0000 
          -6.9380    1.0000 
          -6.7556    1.0000 
          -6.2689    1.0004 
          -6.1681    1.0036 
          -6.0996    1.0114 
          -5.9672    1.0355 
          -5.8570    0.9491 
          -4.1413   -0.0000 
          -0.5927   -0.0000 
          -0.2973    0.0000 
          -0.1308    0.0000 
           0.1101    0.0000 
           0.2618    0.0000 
           0.4078    0.0000 
           0.4899    0.0000 
           0.5193    0.0000 
           0.5661    0.0000 
           0.6604    0.0000 
           0.7342    0.0000 
           0.7964    0.0000 
           0.8249    0.0000 
           0.8561    0.0000 
           0.9173    0.0000 
           0.9701    0.0000 
           1.0412    0.0000 
           1.0676    0.0000 
           1.1571    0.0000 
           1.1914    0.0000 
           1.2240    0.0000 
           1.2388    0.0000 
           1.3279    0.0000 
           1.4261    0.0000 
           1.4779    0.0000 
           1.5107    0.0000 
           1.5470    0.0000 
           1.5805    0.0000 
           1.6106    0.0000 
           1.6244    0.0000 
           1.6741    0.0000 
           1.7423    0.0000 
           1.7600    0.0000 
           1.7792    0.0000 
           1.8063    0.0000 
           1.8532    0.0000 
      
     
    
   
  
  
         0.00000000      0.00000000      0.00000000