vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  14:45:44 
 
 
  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 
    
   
   
           0.74073073       0.42844195       0.59155508 
           0.76211712       0.44510426       0.65271363 
           0.78149314       0.43251683       0.54850508 
           0.14792298       0.51819972       0.36598497 
           0.20268960       0.61277269       0.36963945 
           0.21844233       0.52419798       0.29306800 
           0.10715228       0.55159904       0.65720824 
           0.14756790       0.64012095       0.59875467 
           0.10330379       0.55553286       0.53837854 
           0.41692683       0.43339229       0.29447403 
           0.41529557       0.34304888       0.37243287 
           0.34264061       0.41206377       0.35802600 
           0.52737905       0.27578251       0.57369918 
           0.53012791       0.34921217       0.47939375 
           0.55155575       0.38929178       0.58804213 
           0.24416904       0.69184708       0.50470377 
           0.30118375       0.66836774       0.59201106 
           0.32683481       0.65749241       0.47885057 
           0.43793126       0.62053199       0.55874331 
           0.44710552       0.55774159       0.65890974 
           0.51003167       0.55334378       0.57505944 
           0.32128014       0.44728038       0.64153891 
           0.30633022       0.37935608       0.54779752 
           0.32300742       0.44655671       0.56794486 
           0.20060068       0.53968367       0.36081406 
           0.13571894       0.56819721       0.59671704 
           0.39787624       0.41176894       0.35978025 
           0.51767915       0.34452449       0.55097190 
           0.28489912       0.64693197       0.52521364 
           0.45567349       0.55686332       0.58635577 
           0.41303384       0.45849282       0.53470197 
           0.25897498       0.52674639       0.52653784 
           0.24113089       0.49342651       0.42338705 
           0.19413411       0.51442591       0.59484072 
           0.42223716       0.47271215       0.42531342 
           0.44907800       0.36475810       0.56784119 
   
  
  
           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 
   
  
  
          0.74073073       0.42844195       0.59155508 
          0.76211712       0.44510426       0.65271363 
          0.78149314       0.43251683       0.54850508 
          0.14792298       0.51819972       0.36598497 
          0.20268960       0.61277269       0.36963945 
          0.21844233       0.52419798       0.29306800 
          0.10715228       0.55159904       0.65720824 
          0.14756790       0.64012095       0.59875467 
          0.10330379       0.55553286       0.53837854 
          0.41692683       0.43339229       0.29447403 
          0.41529557       0.34304888       0.37243287 
          0.34264061       0.41206377       0.35802600 
          0.52737905       0.27578251       0.57369918 
          0.53012791       0.34921217       0.47939375 
          0.55155575       0.38929178       0.58804213 
          0.24416904       0.69184708       0.50470377 
          0.30118375       0.66836774       0.59201106 
          0.32683481       0.65749241       0.47885057 
          0.43793126       0.62053199       0.55874331 
          0.44710552       0.55774159       0.65890974 
          0.51003167       0.55334378       0.57505944 
          0.32128014       0.44728038       0.64153891 
          0.30633022       0.37935608       0.54779752 
          0.32300742       0.44655671       0.56794486 
          0.20060068       0.53968367       0.36081406 
          0.13571894       0.56819721       0.59671704 
          0.39787624       0.41176894       0.35978025 
          0.51767915       0.34452449       0.55097190 
          0.28489912       0.64693197       0.52521364 
          0.45567349       0.55686332       0.58635577 
          0.41303384       0.45849282       0.53470197 
          0.25897498       0.52674639       0.52653784 
          0.24113089       0.49342651       0.42338705 
          0.19413411       0.51442591       0.59484072 
          0.42223716       0.47271215       0.42531342 
          0.44907800       0.36475810       0.56784119 
  
 
 
  
       4.61    4.72
       8.40    8.52
   
          6.34847707 
       5628.24588511 
      -8193.67169719 
        264.03184759 
       2564.72054280 
      -2541.99018201 
         -0.04028574 
       -543.07958270 
       3504.07976474 
        688.64476967 
        688.68505541 
        688.65819825 
   
  
  
       5.96    5.97
       5.96    5.97
   
        102.31118844 
        102.29489466 
        102.30575718 
   
  
  
       5.02    5.03
       5.02    5.03
   
       -146.38913523 
       -146.41468875 
       -146.39765307 
   
  
  
       4.94    4.95
       4.95    4.95
   
       -169.20801377 
       -169.22133279 
       -169.21245345 
   
  
  
       5.05    5.07
       5.44    5.46
   
       -169.70105769 
       -169.71466246 
       -169.70559262 
   
  
  
       3.41    3.45
       7.20    7.25
   
        -70.57806159 
        -70.59486234 
        -70.58366184 
   
  
  
       3.15    3.22
       6.57    6.65
   
       -120.60376505 
       -120.62073961 
       -120.60942324 
   
  
  
       3.27    3.34
       6.60    6.69
   
       -135.67512521 
       -135.69451318 
       -135.68158787 
   
  
  
       2.93    3.01
       6.20    6.34
   
       -164.77025145 
       -164.79809813 
       -164.77953368 
   
  
  
       3.41    3.54
       6.94    7.08
   
       -176.33766238 
       -176.37086593 
       -176.34873023 
   
  
  
       2.82    2.87
       6.60    6.66
   
       -183.43090493 
       -183.46242134 
       -183.44141040 
   
  
  
       3.20    3.28
       7.05    7.13
   
       -187.90085565 
       -187.92955656 
       -187.91042262 
   
  
  
       3.31    3.36
       6.86    6.92
   
       -189.06253254 
       -189.09745913 
       -189.07417474 
   
  
  
       2.77    2.85
       6.45    6.54
   
       -190.21878482 
       -190.25344836 
       -190.23033934 
   
  
  
       3.52    3.57
       7.44    7.50
   
       -190.49162764 
       -190.52692969 
       -190.50339499 
   
  
  
       2.99    3.05
       6.90    6.98
   
       -191.14594212 
       -191.18158994 
       -191.15782472 
   
  
  
       2.81    2.87
       6.81    6.90
   
       -191.65564638 
       -191.69139646 
       -191.66756308 
   
  
  
       2.94    3.03
       6.80    6.89
   
       -191.87147344 
       -191.90736674 
       -191.88343787 
   
  
  
       3.21    3.28
       7.16    7.27
   
       -192.05761960 
       -192.09349645 
       -192.06957855 
   
  
  
       3.12    3.18
       7.10    7.16
   
       -192.12829477 
       -192.16417874 
       -192.14025610 
   
  
  
       3.21    3.32
       7.37    7.50
   
       -192.14093721 
       -192.17687245 
       -192.15291562 
   
  
  
       2.61    2.71
       6.80    6.92
   
       -192.14392139 
       -192.17987147 
       -192.15590475 
   
  
  
       3.04    3.09
       6.80    6.86
   
       -192.14472725 
       -192.18068005 
       -192.15671151 
   
  
  
       2.98    3.06
       7.23    7.33
   
       -192.14521142 
       -192.18116994 
       -192.15719760 
   
  
  
       2.87    2.92
       7.15    7.21
   
       -192.14578611 
       -192.18174812 
       -192.15777344 
   
  
  
       2.63    2.68
       6.99    7.06
   
       -192.14608136 
       -192.18204196 
       -192.15806823 
   
  
  
       2.42    2.52
       6.95    7.08
   
       -192.14634151 
       -192.18229965 
       -192.15832755 
   
  
  
       2.48    2.62
       6.37    6.53
   
       -192.14644296 
       -192.18240114 
       -192.15842902 
   
  
  
       2.58    2.64
       6.77    6.84
   
       -192.14653343 
       -192.18249242 
       -192.15851976 
   
  
  
       2.69    2.78
       7.25    7.35
   
       -192.14657865 
       -192.18253770 
       -192.15856500 
   
  
  
       2.73    2.81
       6.17    6.26
   
       -192.14661160 
       -192.18257081 
       -192.15859800 
   
  
  
       1.55    1.64
       6.01    6.12
   
       -192.14662596 
       -192.18258549 
       -192.15861247 
   
  
  
       2.02    2.08
       5.17    5.23
   
          6.34847707 
       5628.24588511 
      -8597.05802173 
        274.92645574 
       7387.47558508 
      -7367.24953069 
          0.03595968 
      -1028.95120421 
       3504.07976474 
       -192.14662920 
       -192.18258888 
       -192.15861576 
   
  
     0.59875467 
           0.10330379       0.55553286       0.53837854 
           0.41692683       0.43339229       0.29447403 
           0.41529557       0.34304888       0.37243287 
           0.34264061       0.41206377       0.35802600 
           0.52737905       0.27578251       0.57369918 
           0.53012791       0.34921217       0.47939375 
           0.55155575       0.38929178       0.58804213 
           0.24416904       0.69184708       0.50470377 
           0.30118375       0.66836774       0.59201106 
           0.32683481       0.65749241       0.47885057 
           0.43793126       0.62053199       0.55874331 
           0.44710552       0.55774159       0.65890974 
           0.51003167       0.55334378       0.57505944 
           0.32128014       0.44728038       0.64153891 
           0.30633022       0.37935608       0.54779752 
           0.32300742       0.44655671       0.56794486 
           0.20060068       0.53968367       0.36081406 
           0.13571894       0.56819721       0.59671704 
           0.39787624       0.41176894       0.35978025 
           0.51767915       0.34452449       0.55097190 
           0.28489912       0.64693197       0.52521364 
           0.45567349       0.55686332       0.58635577 
           0.41303384       0.45849282       0.53470197 
           0.25897498       0.52674639       0.52653784 
           0.24113089       0.49342651       0.42338705 
           0.19413411       0.51442591       0.59484072 
           0.42223716       0.47271215       0.42531342 
           0.44907800       0.36475810       0.56784119 
   
  
  
          0.10831076       0.03199870       0.05251178 
         -0.05315714      -0.02765723      -0.08534699 
         -0.06779449      -0.00902545       0.03375521 
          0.02654686       0.00458321       0.00664796 
          0.01109068      -0.02038088       0.00367777 
          0.00088734      -0.00618362       0.02466000 
          0.01684996      -0.00682244      -0.00176120 
          0.01092449      -0.00953044       0.00089107 
          0.02645202      -0.00770514       0.01631518 
         -0.00191790      -0.00812420      -0.00041268 
          0.00072191       0.02103859       0.01025293 
          0.04353563       0.00611872       0.00113614 
         -0.05945597       0.08559315      -0.05765415 
         -0.03776005      -0.00801382       0.02749692 
         -0.02299987       0.01853403      -0.01393565 
         -0.00058356      -0.00617232      -0.00061439 
         -0.00408305      -0.00909084      -0.01943221 
         -0.01469992      -0.00771525       0.00851360 
         -0.00935104      -0.03811488      -0.00572898 
          0.01769862       0.00137232      -0.03371360 
         -0.02812644       0.01409257       0.00614902 
          0.00182062      -0.00096391      -0.01396136 
         -0.00824205      -0.01380994      -0.00140165 
          0.05782415       0.00114526       0.01115900 
         -0.03969877       0.02078676      -0.04471380 
         -0.06168137       0.03205283      -0.00980776 
         -0.03605480       0.00940338       0.00261842 
          0.11183920      -0.09612052       0.08292739 
          0.03040262       0.03602830       0.00293553 
          0.00342597      -0.00428729       0.00388041 
         -0.08612089       0.23626960      -0.06494101 
          0.02169083      -0.02139088      -0.00193355 
          0.01690780      -0.01660987       0.01301135 
          0.00906879      -0.02150325       0.01235632 
         -0.00632505      -0.01375079       0.04916819 
          0.02205411      -0.16604446      -0.01470522 
  
  
         -1.98245625      -0.06594185       0.02675915 
         -0.06594185      -1.85768026      -0.02218148 
          0.02675915      -0.02218148      -1.93914914 
  
  
      -192.14662920 
      -192.18258888 
      -192.15861576 
  
    233.12  235.89
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -24.8099    1.0000 
         -24.6664    1.0000 
         -24.3915    1.0000 
         -24.1931    1.0000 
         -20.9607    1.0000 
         -17.3175    1.0000 
         -16.8018    1.0000 
         -16.5447    1.0000 
         -16.2705    1.0000 
         -16.2291    1.0000 
         -16.0252    1.0000 
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