vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  14:45:45 
 
 
  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 
    
   
   
           0.68702129       0.46307364       0.59375700 
           0.71049154       0.45825490       0.65573509 
           0.72611392       0.44918255       0.54988038 
           0.15189002       0.51678025       0.36770160 
           0.20830000       0.60966363       0.36779607 
           0.22152099       0.51873410       0.29309389 
           0.11153986       0.54796303       0.65751038 
           0.15093328       0.63671255       0.59799973 
           0.10754303       0.55054901       0.53855710 
           0.42032279       0.42976567       0.29486326 
           0.41955970       0.33967602       0.37294198 
           0.34686499       0.40866122       0.35981159 
           0.53585622       0.27786981       0.57287452 
           0.53491137       0.34907876       0.47780394 
           0.56196494       0.39182236       0.58230705 
           0.24782137       0.68898918       0.50451649 
           0.30569579       0.66623833       0.59106237 
           0.33048804       0.65529463       0.47757073 
           0.44193678       0.62074190       0.55896076 
           0.45129451       0.55736434       0.65826282 
           0.51395283       0.55353232       0.57470059 
           0.32585512       0.44452973       0.64151456 
           0.31135068       0.37704921       0.54737293 
           0.32870243       0.44395512       0.56793261 
           0.20477860       0.53653684       0.36070372 
           0.13975515       0.56456719       0.59673140 
           0.40209393       0.40847384       0.36078631 
           0.52583860       0.34620663       0.54999301 
           0.28901337       0.64461294       0.52457361 
           0.45960512       0.55686721       0.58569661 
           0.41849092       0.45787893       0.53513094 
           0.26380237       0.52400088       0.52665570 
           0.24546476       0.49048747       0.42349248 
           0.19886321       0.51174630       0.59533093 
           0.42706083       0.46915374       0.42566674 
           0.45755768       0.36631266       0.57062074 
   
  
  
           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 
   
  
  
          0.68702129       0.46307364       0.59375700 
          0.71049154       0.45825490       0.65573509 
          0.72611392       0.44918255       0.54988038 
          0.15189002       0.51678025       0.36770160 
          0.20830000       0.60966363       0.36779607 
          0.22152099       0.51873410       0.29309389 
          0.11153986       0.54796303       0.65751038 
          0.15093328       0.63671255       0.59799973 
          0.10754303       0.55054901       0.53855710 
          0.42032279       0.42976567       0.29486326 
          0.41955970       0.33967602       0.37294198 
          0.34686499       0.40866122       0.35981159 
          0.53585622       0.27786981       0.57287452 
          0.53491137       0.34907876       0.47780394 
          0.56196494       0.39182236       0.58230705 
          0.24782137       0.68898918       0.50451649 
          0.30569579       0.66623833       0.59106237 
          0.33048804       0.65529463       0.47757073 
          0.44193678       0.62074190       0.55896076 
          0.45129451       0.55736434       0.65826282 
          0.51395283       0.55353232       0.57470059 
          0.32585512       0.44452973       0.64151456 
          0.31135068       0.37704921       0.54737293 
          0.32870243       0.44395512       0.56793261 
          0.20477860       0.53653684       0.36070372 
          0.13975515       0.56456719       0.59673140 
          0.40209393       0.40847384       0.36078631 
          0.52583860       0.34620663       0.54999301 
          0.28901337       0.64461294       0.52457361 
          0.45960512       0.55686721       0.58569661 
          0.41849092       0.45787893       0.53513094 
          0.26380237       0.52400088       0.52665570 
          0.24546476       0.49048747       0.42349248 
          0.19886321       0.51174630       0.59533093 
          0.42706083       0.46915374       0.42566674 
          0.45755768       0.36631266       0.57062074 
  
 
 
  
       4.73    4.85
       8.62    8.76
   
          6.34847707 
       5739.58178449 
      -8305.51801093 
        264.03996791 
       2564.72054280 
      -2541.99018201 
          0.02391241 
       -542.96698516 
       3504.07976474 
        688.31927132 
        688.29535891 
        688.31130052 
   
  
  
       5.79    5.80
       5.79    5.80
   
        103.48289013 
        103.48757364 
        103.48445130 
   
  
  
       4.85    4.86
       4.85    4.86
   
       -146.24170113 
       -146.25674117 
       -146.24671448 
   
  
  
       4.95    4.96
       4.95    4.96
   
       -169.20547894 
       -169.22065761 
       -169.21053850 
   
  
  
       4.84    4.85
       5.55    5.56
   
       -169.70483144 
       -169.72071812 
       -169.71012700 
   
  
  
       3.65    3.76
       8.08    8.20
   
        -70.03911247 
        -70.05866817 
        -70.04563104 
   
  
  
       3.36    3.44
       7.39    7.48
   
       -119.84311767 
       -119.86071703 
       -119.84898412 
   
  
  
       3.15    3.35
       7.12    7.32
   
       -134.97962736 
       -135.00004892 
       -134.98643455 
   
  
  
       2.68    2.77
       6.56    6.66
   
       -164.60304092 
       -164.63179165 
       -164.61262449 
   
  
  
       3.09    3.16
       6.78    6.85
   
       -176.48217375 
       -176.51743525 
       -176.49392759 
   
  
  
       2.91    2.95
       6.82    6.87
   
       -183.90045181 
       -183.93166328 
       -183.91085563 
   
  
  
       3.14    3.23
       7.16    7.26
   
       -188.25313193 
       -188.28153744 
       -188.26260043 
   
  
  
       2.87    2.89
       6.76    6.79
   
       -189.25936250 
       -189.29597310 
       -189.27156603 
   
  
  
       2.87    3.06
       6.43    6.62
   
       -190.22727521 
       -190.26259578 
       -190.23904873 
   
  
  
       2.86    2.92
       6.15    6.22
   
       -190.70525372 
       -190.74238322 
       -190.71763022 
   
  
  
       2.32    2.35
       6.40    6.45
   
       -191.26836673 
       -191.30547170 
       -191.28073505 
   
  
  
       2.80    2.87
       6.83    6.93
   
       -191.67476068 
       -191.71195750 
       -191.68715962 
   
  
  
       2.76    2.84
       6.90    6.98
   
       -191.90527351 
       -191.94243186 
       -191.91765963 
   
  
  
       3.08    3.15
       6.76    6.88
   
       -192.05567687 
       -192.09285344 
       -192.06806906 
   
  
  
       3.21    3.27
       7.42    7.50
   
       -192.12631540 
       -192.16352544 
       -192.13871875 
   
  
  
       3.40    3.51
       8.06    8.18
   
       -192.14257043 
       -192.17974356 
       -192.15496148 
   
  
  
       3.39    3.49
       8.20    8.35
   
       -192.14757750 
       -192.18475958 
       -192.15997153 
   
  
  
       2.89    2.98
       7.17    7.28
   
       -192.14953179 
       -192.18672998 
       -192.16193119 
   
  
  
       2.23    2.31
       6.25    6.33
   
       -192.14984995 
       -192.18704269 
       -192.16224753 
   
  
  
       2.60    2.66
       6.83    6.88
   
       -192.15024187 
       -192.18743090 
       -192.16263822 
   
  
  
       2.60    2.66
       7.31    7.37
   
       -192.15069670 
       -192.18789181 
       -192.16309507 
   
  
  
       2.88    2.99
       7.74    7.86
   
       -192.15100811 
       -192.18820643 
       -192.16340755 
   
  
  
       2.81    2.90
       8.06    8.16
   
       -192.15122548 
       -192.18842440 
       -192.16362512 
   
  
  
       2.29    2.35
       6.59    6.66
   
       -192.15127383 
       -192.18847294 
       -192.16367353 
   
  
  
       2.60    2.63
       6.37    6.41
   
       -192.15129059 
       -192.18848941 
       -192.16369020 
   
  
  
       1.24    1.26
       5.32    5.46
   
       -192.15130858 
       -192.18850785 
       -192.16370834 
   
  
  
       1.47    1.50
       5.42    5.46
   
       -192.15132215 
       -192.18852270 
       -192.16372233 
   
  
  
       1.79    1.83
       5.28    5.33
   
          6.34847707 
       5739.58178449 
      -8711.96430437 
        274.90916585 
       7361.06398753 
      -7340.84075672 
          0.03720117 
      -1025.36664923 
       3504.07976474 
       -192.15132947 
       -192.18853064 
       -192.16372986 
   
  
     0.59799973 
           0.10754303       0.55054901       0.53855710 
           0.42032279       0.42976567       0.29486326 
           0.41955970       0.33967602       0.37294198 
           0.34686499       0.40866122       0.35981159 
           0.53585622       0.27786981       0.57287452 
           0.53491137       0.34907876       0.47780394 
           0.56196494       0.39182236       0.58230705 
           0.24782137       0.68898918       0.50451649 
           0.30569579       0.66623833       0.59106237 
           0.33048804       0.65529463       0.47757073 
           0.44193678       0.62074190       0.55896076 
           0.45129451       0.55736434       0.65826282 
           0.51395283       0.55353232       0.57470059 
           0.32585512       0.44452973       0.64151456 
           0.31135068       0.37704921       0.54737293 
           0.32870243       0.44395512       0.56793261 
           0.20477860       0.53653684       0.36070372 
           0.13975515       0.56456719       0.59673140 
           0.40209393       0.40847384       0.36078631 
           0.52583860       0.34620663       0.54999301 
           0.28901337       0.64461294       0.52457361 
           0.45960512       0.55686721       0.58569661 
           0.41849092       0.45787893       0.53513094 
           0.26380237       0.52400088       0.52665570 
           0.24546476       0.49048747       0.42349248 
           0.19886321       0.51174630       0.59533093 
           0.42706083       0.46915374       0.42566674 
           0.45755768       0.36631266       0.57062074 
   
  
  
          0.17031602      -0.02635458       0.07762447 
         -0.08087127       0.01129925      -0.13457070 
         -0.10477626       0.02199029       0.06491108 
         -0.00085801       0.00150143       0.00181058 
          0.00824768      -0.00126476       0.00050972 
          0.00099181      -0.00205293       0.00086771 
          0.01184989      -0.00095158      -0.00911634 
          0.00330051      -0.01814448      -0.00089519 
          0.01219945      -0.00154624       0.01373812 
          0.00715523       0.00325562       0.03700072 
          0.01024836       0.01559387       0.01768467 
          0.03102525       0.01086340       0.01231663 
          0.00526411      -0.00891731       0.02953647 
          0.01364651       0.00113797      -0.16656134 
         -0.16746773       0.00965249       0.03953785 
          0.00046240      -0.01326108       0.00116927 
          0.00743852       0.01062213       0.00187750 
          0.00145655       0.00807160       0.00206071 
         -0.05582248       0.02047333      -0.06061678 
          0.00067979      -0.00883438      -0.00017602 
          0.02474952       0.01262080      -0.00921315 
          0.04425588      -0.00672605      -0.02827813 
          0.06545996       0.01917256       0.00220487 
         -0.20640389       0.03138546       0.03850842 
          0.02840213      -0.02175166       0.04329609 
          0.05081872      -0.02093434      -0.01721732 
         -0.08569953      -0.08276328      -0.09497321 
         -0.07697226      -0.01926568       0.07204473 
          0.01976664      -0.02909814      -0.00177256 
          0.11006755       0.12646503       0.09011701 
          0.01237598      -0.11472642      -0.01421627 
         -0.06489056      -0.01738628      -0.02184492 
          0.03733727      -0.00084308       0.05475768 
          0.08728669      -0.01736136      -0.03510644 
          0.06979802       0.12024825       0.01406837 
          0.00916155      -0.01216984      -0.02108430 
  
  
         -2.29475613       0.13702378      -0.01506112 
          0.13702377      -1.82824579       0.03618808 
         -0.01506113       0.03618808      -1.87507563 
  
  
      -192.15132947 
      -192.18853064 
      -192.16372986 
  
    235.39  238.19
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -24.7180    1.0000 
         -24.6133    1.0000 
         -24.2973    1.0000 
         -24.1220    1.0000 
         -21.0075    1.0000 
         -17.2740    1.0000 
         -16.7712    1.0000 
         -16.4996    1.0000 
         -16.2272    1.0000 
         -16.1665    1.0000 
         -16.0042    1.0000 
         -15.8613    1.0000 
         -12.4440    1.0000 
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