vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  21:20:48 
 
 
  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 
    
   
   
           0.69034017       0.46035371       0.59374455 
           0.71338096       0.45864850       0.65550264 
           0.72972175       0.44972578       0.54981663 
           0.15163947       0.51696921       0.36743326 
           0.20794753       0.60979414       0.36780622 
           0.22135037       0.51907330       0.29310081 
           0.11129741       0.54825770       0.65738465 
           0.15064531       0.63690186       0.59808228 
           0.10727662       0.55089713       0.53861425 
           0.42019171       0.42993766       0.29489376 
           0.41948812       0.33976707       0.37282295 
           0.34650693       0.40867886       0.35943941 
           0.53485449       0.27738758       0.57246886 
           0.53389529       0.34883664       0.47863301 
           0.56225109       0.39175791       0.58284002 
           0.24772187       0.68913755       0.50454973 
           0.30543839       0.66634749       0.59110173 
           0.33028968       0.65541563       0.47762322 
           0.44164352       0.62136741       0.55871852 
           0.45095665       0.55671389       0.65852296 
           0.51379858       0.55255936       0.57465253 
           0.32557388       0.44470916       0.64145249 
           0.31095815       0.37725253       0.54741743 
           0.32726989       0.44443521       0.56796655 
           0.20454524       0.53665689       0.36069773 
           0.13951399       0.56479322       0.59666168 
           0.40164787       0.40831008       0.36038605 
           0.52561213       0.34623507       0.55088493 
           0.28882702       0.64461096       0.52460534 
           0.45951014       0.55733514       0.58597811 
           0.41821413       0.45698685       0.53518378 
           0.26290525       0.52442400       0.52641352 
           0.24532511       0.49076622       0.42346997 
           0.19859601       0.51200297       0.59538228 
           0.42706099       0.46966790       0.42552838 
           0.45806033       0.36561234       0.57012942 
   
  
  
           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 
   
  
  
          0.69034017       0.46035371       0.59374455 
          0.71338096       0.45864850       0.65550264 
          0.72972175       0.44972578       0.54981663 
          0.15163947       0.51696921       0.36743326 
          0.20794753       0.60979414       0.36780622 
          0.22135037       0.51907330       0.29310081 
          0.11129741       0.54825770       0.65738465 
          0.15064531       0.63690186       0.59808228 
          0.10727662       0.55089713       0.53861425 
          0.42019171       0.42993766       0.29489376 
          0.41948812       0.33976707       0.37282295 
          0.34650693       0.40867886       0.35943941 
          0.53485449       0.27738758       0.57246886 
          0.53389529       0.34883664       0.47863301 
          0.56225109       0.39175791       0.58284002 
          0.24772187       0.68913755       0.50454973 
          0.30543839       0.66634749       0.59110173 
          0.33028968       0.65541563       0.47762322 
          0.44164352       0.62136741       0.55871852 
          0.45095665       0.55671389       0.65852296 
          0.51379858       0.55255936       0.57465253 
          0.32557388       0.44470916       0.64145249 
          0.31095815       0.37725253       0.54741743 
          0.32726989       0.44443521       0.56796655 
          0.20454524       0.53665689       0.36069773 
          0.13951399       0.56479322       0.59666168 
          0.40164787       0.40831008       0.36038605 
          0.52561213       0.34623507       0.55088493 
          0.28882702       0.64461096       0.52460534 
          0.45951014       0.55733514       0.58597811 
          0.41821413       0.45698685       0.53518378 
          0.26290525       0.52442400       0.52641352 
          0.24532511       0.49076622       0.42346997 
          0.19859601       0.51200297       0.59538228 
          0.42706099       0.46966790       0.42552838 
          0.45806033       0.36561234       0.57012942 
  
 
 
  
       4.04    4.11
       7.57    7.64
   
          6.34847707 
       5724.69944107 
      -8290.06882127 
        264.05379810 
       2564.72054280 
      -2541.99018201 
          0.01700379 
       -543.25623926 
       3504.07976474 
        688.60378502 
        688.58678123 
        688.59811709 
   
  
  
       5.96    5.96
       5.96    5.97
   
        103.55189894 
        103.56111380 
        103.55497056 
   
  
  
       4.93    4.94
       4.93    4.94
   
       -146.21167444 
       -146.22494407 
       -146.21609765 
   
  
  
       4.93    4.93
       4.93    4.94
   
       -169.15783023 
       -169.17478513 
       -169.16348186 
   
  
  
       5.04    5.06
       5.30    5.32
   
       -169.65702645 
       -169.67450599 
       -169.66285296 
   
  
  
       2.98    3.04
       6.87    6.93
   
        -70.03747872 
        -70.05635717 
        -70.04377154 
   
  
  
       2.86    2.98
       6.35    6.48
   
       -119.83346320 
       -119.85126394 
       -119.83939678 
   
  
  
       3.10    3.16
       6.53    6.61
   
       -135.03083831 
       -135.05171802 
       -135.03779821 
   
  
  
       3.04    3.11
       6.86    6.93
   
       -164.64777607 
       -164.67615554 
       -164.65723589 
   
  
  
       2.82    2.88
       6.54    6.61
   
       -176.43169699 
       -176.46744217 
       -176.44361205 
   
  
  
       2.76    2.78
       6.52    6.57
   
       -184.11944617 
       -184.15076957 
       -184.12988730 
   
  
  
       2.79    2.83
       6.74    6.80
   
       -188.14270084 
       -188.17599026 
       -188.15379731 
   
  
  
       3.20    3.28
       7.14    7.23
   
       -189.30089813 
       -189.33712527 
       -189.31297384 
   
  
  
       2.87    2.92
       6.58    6.63
   
       -190.24621601 
       -190.28316909 
       -190.25853370 
   
  
  
       3.25    3.30
       6.94    7.00
   
       -190.79517853 
       -190.83285458 
       -190.80773721 
   
  
  
       2.76    2.94
       6.84    7.05
   
       -191.34359051 
       -191.38102993 
       -191.35607032 
   
  
  
       2.56    2.63
       5.76    5.83
   
       -191.71147660 
       -191.74947786 
       -191.72414369 
   
  
  
       2.91    3.02
       6.81    6.98
   
       -191.90422537 
       -191.94209814 
       -191.91684962 
   
  
  
       3.01    3.08
       6.79    6.86
   
       -192.04345037 
       -192.08121588 
       -192.05603888 
   
  
  
       3.30    3.38
       7.57    7.66
   
       -192.10667291 
       -192.14455118 
       -192.11929900 
   
  
  
       2.98    3.07
       7.15    7.25
   
       -192.12016735 
       -192.15806199 
       -192.13279890 
   
  
  
       3.33    3.42
       7.68    7.78
   
       -192.12399192 
       -192.16187706 
       -192.13662030 
   
  
  
       2.71    2.83
       6.77    6.91
   
       -192.12525012 
       -192.16313908 
       -192.13787977 
   
  
  
       2.88    2.93
       6.68    6.75
   
       -192.12562454 
       -192.16352027 
       -192.13825645 
   
  
  
       2.61    2.68
       6.88    6.96
   
       -192.12596995 
       -192.16386427 
       -192.13860139 
   
  
  
       2.33    2.43
       6.92    7.05
   
       -192.12644687 
       -192.16434044 
       -192.13907806 
   
  
  
       2.07    2.14
       5.83    5.91
   
       -192.12676057 
       -192.16465762 
       -192.13939292 
   
  
  
       2.44    2.61
       6.74    6.93
   
       -192.12694501 
       -192.16484429 
       -192.13957811 
   
  
  
       2.66    2.75
       6.93    7.04
   
       -192.12698316 
       -192.16488174 
       -192.13961602 
   
  
  
       2.85    2.90
       6.52    6.57
   
          6.34847707 
       5724.69944107 
      -8696.52543423 
        274.95325141 
       7351.53647629 
      -7331.31523353 
          0.03789797 
      -1025.94163137 
       3504.07976474 
       -192.12699059 
       -192.16488856 
       -192.13962325 
   
  
  
   
    
           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 
    
   
   
           0.69034017       0.46035371       0.59374455 
           0.71338096       0.45864850       0.65550264 
           0.72972175       0.44972578       0.54981663 
           0.15163947       0.51696921       0.36743326 
           0.20794753       0.60979414       0.36780622 
           0.22135037       0.51907330       0.29310081 
           0.11129741       0.54825770       0.65738465 
           0.15064531       0.63690186       0.59808228 
           0.10727662       0.55089713       0.53861425 
           0.42019171       0.42993766       0.29489376 
           0.41948812       0.33976707       0.37282295 
           0.34650693       0.40867886       0.35943941 
           0.53485449       0.27738758       0.57246886 
           0.53389529       0.34883664       0.47863301 
           0.56225109       0.39175791       0.58284002 
           0.24772187       0.68913755       0.50454973 
           0.30543839       0.66634749       0.59110173 
           0.33028968       0.65541563       0.47762322 
           0.44164352       0.62136741       0.55871852 
           0.45095665       0.55671389       0.65852296 
           0.51379858       0.55255936       0.57465253 
           0.32557388       0.44470916       0.64145249 
           0.31095815       0.37725253       0.54741743 
           0.32726989       0.44443521       0.56796655 
           0.20454524       0.53665689       0.36069773 
           0.13951399       0.56479322       0.59666168 
           0.40164787       0.40831008       0.36038605 
           0.52561213       0.34623507       0.55088493 
           0.28882702       0.64461096       0.52460534 
           0.45951014       0.55733514       0.58597811 
           0.41821413       0.45698685       0.53518378 
           0.26290525       0.52442400       0.52641352 
           0.24532511       0.49076622       0.42346997 
           0.19859601       0.51200297       0.59538228 
           0.42706099       0.46966790       0.42552838 
           0.45806033       0.36561234       0.57012942 
   
  
  
         -0.11736793       0.01735961      -0.14483754 
          0.09764366      -0.00980177       0.12522214 
          0.00617687      -0.00285343       0.02624481 
         -0.00339679      -0.01983349       0.01896515 
          0.01232495       0.00202895       0.00292176 
          0.00797160      -0.01145807      -0.01416804 
         -0.00689539      -0.01054925       0.01577891 
          0.01358545       0.00372214      -0.00639378 
         -0.00634090      -0.01638811      -0.02725825 
         -0.00189088      -0.00516259      -0.02904539 
         -0.01911558       0.01132805       0.00969849 
          0.00468019       0.01436271       0.03410499 
          0.14785146      -0.03206291       0.11816338 
          0.19344389       0.02957582      -0.24435276 
         -0.24765857      -0.08183763       0.02736698 
         -0.00105198       0.00554134      -0.00159303 
          0.00567377      -0.00904257      -0.00015065 
          0.00248642      -0.01204023       0.00113631 
          0.03362577      -0.17370123       0.04226648 
          0.02564297       0.06555731      -0.01791121 
          0.00046279       0.09028298       0.01499920 
         -0.01980967       0.00351832       0.03792927 
         -0.03699433      -0.04316947      -0.00300496 
          0.37929569      -0.08039530      -0.05620253 
          0.02362569       0.01103440       0.00898477 
          0.02433485       0.00065877       0.03335115 
          0.12345958       0.11273340       0.12372469 
          0.31566478      -0.17339220      -0.21094138 
         -0.02003577       0.03733616      -0.01157847 
         -0.06586637      -0.12144477      -0.07564544 
         -0.08685331       0.26635543       0.01093071 
          0.15285885      -0.02524843       0.05637847 
         -0.04840525      -0.01745968      -0.05979822 
         -0.04861724      -0.00120403       0.00024774 
         -0.09923805      -0.14478021      -0.03746734 
         -0.74127123       0.32042997       0.23193358 
  
  
         -2.06377034      -0.03723338      -0.16358921 
         -0.03723339      -2.04576505      -0.00010579 
         -0.16358921      -0.00010578      -1.70409166 
  
  
      -192.12699059 
      -192.16488856 
      -192.13962325 
  
    210.88  213.42
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -24.7488    1.0000 
         -24.6598    1.0000 
         -24.3273    1.0000 
         -24.1775    1.0000 
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