vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  21:20:49 
 
 
  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 
    
   
   
           0.65955085       0.46894417       0.59391362 
           0.68338411       0.46026178       0.65590040 
           0.69605809       0.45235363       0.54955277 
           0.15316651       0.51646869       0.36781894 
           0.21027065       0.60859378       0.36673991 
           0.22267761       0.51668362       0.29302575 
           0.11272799       0.54687797       0.65752921 
           0.15179747       0.63559723       0.59768813 
           0.10869890       0.54897465       0.53865859 
           0.42156303       0.42823033       0.29464320 
           0.42123527       0.33825833       0.37276355 
           0.34819993       0.40703459       0.35986083 
           0.53451317       0.27335060       0.57479781 
           0.53648837       0.35330860       0.47815951 
           0.61536777       0.42409049       0.58803356 
           0.24924771       0.68835456       0.50444690 
           0.30728824       0.66548938       0.59074430 
           0.33171567       0.65429098       0.47712307 
           0.44322316       0.61842781       0.55861469 
           0.45297282       0.55524164       0.65852522 
           0.51571737       0.55099926       0.57462182 
           0.32695790       0.44404322       0.64129791 
           0.31223204       0.37644760       0.54724572 
           0.32930920       0.44340244       0.56777059 
           0.20617996       0.53545836       0.36045286 
           0.14085824       0.56342372       0.59671611 
           0.40331302       0.40673936       0.36038803 
           0.52017290       0.33742163       0.54587562 
           0.29037757       0.64382732       0.52437168 
           0.46142841       0.55502197       0.58601454 
           0.41888814       0.45786894       0.53442428 
           0.26465766       0.52351498       0.52649624 
           0.24669859       0.48967940       0.42360006 
           0.20022179       0.51110297       0.59553154 
           0.42885205       0.46764098       0.42536896 
           0.45824387       0.36490193       0.57119372 
   
  
  
           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 
   
  
  
          0.65955085       0.46894417       0.59391362 
          0.68338411       0.46026178       0.65590040 
          0.69605809       0.45235363       0.54955277 
          0.15316651       0.51646869       0.36781894 
          0.21027065       0.60859378       0.36673991 
          0.22267761       0.51668362       0.29302575 
          0.11272799       0.54687797       0.65752921 
          0.15179747       0.63559723       0.59768813 
          0.10869890       0.54897465       0.53865859 
          0.42156303       0.42823033       0.29464320 
          0.42123527       0.33825833       0.37276355 
          0.34819993       0.40703459       0.35986083 
          0.53451317       0.27335060       0.57479781 
          0.53648837       0.35330860       0.47815951 
          0.61536777       0.42409049       0.58803356 
          0.24924771       0.68835456       0.50444690 
          0.30728824       0.66548938       0.59074430 
          0.33171567       0.65429098       0.47712307 
          0.44322316       0.61842781       0.55861469 
          0.45297282       0.55524164       0.65852522 
          0.51571737       0.55099926       0.57462182 
          0.32695790       0.44404322       0.64129791 
          0.31223204       0.37644760       0.54724572 
          0.32930920       0.44340244       0.56777059 
          0.20617996       0.53545836       0.36045286 
          0.14085824       0.56342372       0.59671611 
          0.40331302       0.40673936       0.36038803 
          0.52017290       0.33742163       0.54587562 
          0.29037757       0.64382732       0.52437168 
          0.46142841       0.55502197       0.58601454 
          0.41888814       0.45786894       0.53442428 
          0.26465766       0.52351498       0.52649624 
          0.24669859       0.48967940       0.42360006 
          0.20022179       0.51110297       0.59553154 
          0.42885205       0.46764098       0.42536896 
          0.45824387       0.36490193       0.57119372 
  
 
 
  
       4.66    4.77
       6.58    6.69
   
          6.34847707 
       5815.13564623 
      -8377.24053966 
        264.32609241 
       2564.72054280 
      -2541.99018201 
          0.04648511 
       -544.45612535 
       3504.07976474 
        690.97016133 
        690.92367622 
        690.95466630 
   
  
  
       5.97    5.99
       5.97    5.99
   
        103.00514107 
        103.03895558 
        103.01641257 
   
  
  
       5.00    5.01
       5.00    5.01
   
       -147.91966049 
       -147.92545840 
       -147.92159313 
   
  
  
       4.96    4.97
       4.96    4.97
   
       -170.75864225 
       -170.76444015 
       -170.76057488 
   
  
  
       3.86    3.90
       4.56    4.60
   
       -171.27268882 
       -171.27848672 
       -171.27462145 
   
  
  
       3.12    3.18
       7.26    7.33
   
        -69.64786931 
        -69.65417492 
        -69.64997118 
   
  
  
       3.39    3.43
       7.44    7.50
   
       -120.17028247 
       -120.17667285 
       -120.17241260 
   
  
  
       2.93    2.99
       7.11    7.18
   
       -134.33454112 
       -134.34033907 
       -134.33647377 
   
  
  
       2.89    2.93
       6.67    6.71
   
       -165.07925942 
       -165.08505732 
       -165.08119205 
   
  
  
       3.11    3.17
       6.88    6.94
   
       -176.41948241 
       -176.42528031 
       -176.42141504 
   
  
  
       2.63    2.71
       6.27    6.36
   
       -184.10529138 
       -184.11108929 
       -184.10722402 
   
  
  
       2.59    2.71
       6.83    6.95
   
       -188.87928272 
       -188.88508063 
       -188.88121536 
   
  
  
       3.11    3.18
       7.04    7.12
   
       -190.26040601 
       -190.26620391 
       -190.26233864 
   
  
  
       2.61    2.75
       6.85    6.99
   
       -191.30287674 
       -191.30867465 
       -191.30480938 
   
  
  
       2.97    3.03
       6.74    6.80
   
       -191.69037079 
       -191.69616870 
       -191.69230343 
   
  
  
       3.20    3.26
       7.53    7.62
   
       -192.21631512 
       -192.22211302 
       -192.21824775 
   
  
  
       3.34    3.42
       7.64    7.73
   
       -192.44245714 
       -192.44825505 
       -192.44438978 
   
  
  
       3.23    3.31
       7.99    8.08
   
       -192.58148540 
       -192.58728330 
       -192.58341803 
   
  
  
       3.32    3.37
       7.62    7.68
   
       -192.65597526 
       -192.66177316 
       -192.65790789 
   
  
  
       3.16    3.21
       7.49    7.56
   
       -192.67354035 
       -192.67933826 
       -192.67547299 
   
  
  
       2.53    2.61
       6.69    6.77
   
       -192.67720442 
       -192.68300232 
       -192.67913705 
   
  
  
       2.65    2.71
       6.57    6.63
   
       -192.67834570 
       -192.68414361 
       -192.68027834 
   
  
  
       3.11    3.18
       7.35    7.43
   
       -192.67854149 
       -192.68433940 
       -192.68047413 
   
  
  
       2.66    2.71
       7.37    7.42
   
       -192.67882435 
       -192.68462226 
       -192.68075699 
   
  
  
       2.72    2.79
       6.95    7.04
   
       -192.67908584 
       -192.68488375 
       -192.68101848 
   
  
  
       2.40    2.53
       6.71    6.85
   
       -192.67936539 
       -192.68516329 
       -192.68129802 
   
  
  
       2.48    2.55
       6.86    6.93
   
       -192.67944860 
       -192.68524650 
       -192.68138123 
   
  
  
       2.78    2.82
       7.20    7.24
   
       -192.67949140 
       -192.68528930 
       -192.68142403 
   
  
  
       2.78    2.85
       6.64    6.72
   
          6.34847707 
       5815.13564623 
      -8771.16281966 
        275.00277365 
       7416.15707002 
      -7396.03506689 
          0.00579791 
      -1042.21114164 
       3504.07976474 
       -192.67949859 
       -192.68529649 
       -192.68143122 
   
  
  
   
    
           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 
    
   
   
           0.65955085       0.46894417       0.59391362 
           0.68338411       0.46026178       0.65590040 
           0.69605809       0.45235363       0.54955277 
           0.15316651       0.51646869       0.36781894 
           0.21027065       0.60859378       0.36673991 
           0.22267761       0.51668362       0.29302575 
           0.11272799       0.54687797       0.65752921 
           0.15179747       0.63559723       0.59768813 
           0.10869890       0.54897465       0.53865859 
           0.42156303       0.42823033       0.29464320 
           0.42123527       0.33825833       0.37276355 
           0.34819993       0.40703459       0.35986083 
           0.53451317       0.27335060       0.57479781 
           0.53648837       0.35330860       0.47815951 
           0.61536777       0.42409049       0.58803356 
           0.24924771       0.68835456       0.50444690 
           0.30728824       0.66548938       0.59074430 
           0.33171567       0.65429098       0.47712307 
           0.44322316       0.61842781       0.55861469 
           0.45297282       0.55524164       0.65852522 
           0.51571737       0.55099926       0.57462182 
           0.32695790       0.44404322       0.64129791 
           0.31223204       0.37644760       0.54724572 
           0.32930920       0.44340244       0.56777059 
           0.20617996       0.53545836       0.36045286 
           0.14085824       0.56342372       0.59671611 
           0.40331302       0.40673936       0.36038803 
           0.52017290       0.33742163       0.54587562 
           0.29037757       0.64382732       0.52437168 
           0.46142841       0.55502197       0.58601454 
           0.41888814       0.45786894       0.53442428 
           0.26465766       0.52351498       0.52649624 
           0.24669859       0.48967940       0.42360006 
           0.20022179       0.51110297       0.59553154 
           0.42885205       0.46764098       0.42536896 
           0.45824387       0.36490193       0.57119372 
   
  
  
         -1.29295993      -0.95951518       0.96708582 
         -0.89475843      -0.05211932      -0.79449364 
         -0.20057145      -0.30134950      -0.41785294 
          0.00494582      -0.00110337       0.00514337 
          0.00589434       0.00009179       0.00151436 
          0.00287012      -0.00613803      -0.00311163 
          0.01116114      -0.00738348      -0.00075001 
          0.00802657      -0.00539582      -0.00319020 
          0.01037997      -0.00865204      -0.00110239 
          0.00078975       0.00210321       0.01060681 
         -0.00348989      -0.00473774      -0.00507145 
          0.00158162       0.00367273       0.00841308 
          0.10744843       0.04868947       0.06754892 
          0.08349170       0.12432350      -0.06661584 
          2.32833012       1.29118037       0.24144050 
         -0.00147290      -0.00901601       0.00073217 
          0.00408137       0.00203394       0.00156473 
          0.00593883       0.00471295      -0.00246831 
          0.00848272       0.03564179       0.00679372 
          0.00950460       0.02190634      -0.00467592 
          0.00981136       0.03096412      -0.00403030 
          0.01479312      -0.00898883       0.00175526 
          0.02198688      -0.00270250       0.00067073 
          0.01511164      -0.00693433       0.00180527 
          0.00073419      -0.00229840       0.00448901 
          0.00825915      -0.00692726      -0.00064947 
         -0.00316146      -0.00938789      -0.00415355 
         -0.15228189      -0.24128477      -0.04912157 
          0.00741438      -0.00744904       0.00403315 
          0.01493576       0.01868591       0.00419052 
         -0.04582380       0.08300965      -0.01958027 
          0.01208393      -0.00560877       0.00155080 
          0.01311293      -0.00298017       0.01023875 
          0.02124472      -0.00361868      -0.00333022 
          0.02460720      -0.02160320       0.01480218 
         -0.16250262       0.00817854       0.02581855 
  
  
         -2.97507198      -0.47456898      -0.35451565 
         -0.47456899      -2.10372958       0.02716987 
         -0.35451565       0.02716987      -1.97303620 
  
  
      -192.67949859 
      -192.68529649 
      -192.68143122 
  
    209.89  212.03
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -25.5940    1.0000 
         -24.9647    1.0000 
         -24.6498    1.0000 
         -24.5421    1.0000 
         -20.0173    1.0000 
         -17.5368    1.0000 
         -17.0020    1.0000 
         -16.7058    1.0000 
         -16.4197    1.0000 
         -16.3206    1.0000 
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