vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 10 
  19:06:48 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       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 
    
   
   
           0.32877868       0.43836260       0.49410603 
           0.33123560       0.46764681       0.55945153 
           0.37288044       0.40073062       0.47845615 
           0.27737297       0.70784063       0.67760004 
           0.23351442       0.60331156       0.67855161 
           0.31418970       0.61244826       0.72871551 
           0.33945599       0.83665285       0.39798793 
           0.25989841       0.81730888       0.44946134 
           0.33508686       0.81906421       0.51609309 
           0.11672661       0.43067076       0.58592062 
           0.13668222       0.31845092       0.60103845 
           0.14999498       0.39399018       0.68835499 
           0.33670353       0.18507784       0.55942183 
           0.26279210       0.14029950       0.50919307 
           0.34075615       0.13123874       0.45208432 
           0.17944290       0.69261814       0.52000777 
           0.17459296       0.63199566       0.41899186 
           0.17186288       0.57471142       0.52280858 
           0.18189877       0.44803459       0.38619607 
           0.23941215       0.38124959       0.32717935 
           0.16854222       0.33299568       0.37510110 
           0.30033774       0.49759364       0.36306550 
           0.38064643       0.54397796       0.41024368 
           0.32649704       0.52350006       0.42556803 
           0.28320733       0.63482616       0.67214252 
           0.31354678       0.80042084       0.45118906 
           0.15254966       0.38570099       0.61628892 
           0.31012785       0.17658917       0.49524115 
           0.19461504       0.63080710       0.48687015 
           0.20706185       0.38365388       0.38600150 
           0.24947901       0.34575303       0.49273359 
           0.28730367       0.62387735       0.48641005 
           0.31545112       0.60999202       0.59046901 
           0.32377625       0.70819862       0.43544557 
           0.21797206       0.40224206       0.58369683 
           0.29910336       0.26015798       0.45175397 
   
  
  
           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 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       62
       -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
   
   
         1
     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  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000004
           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
  
  
        1
        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
       60
        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 
   
  
  
          0.32877868       0.43836260       0.49410603 
          0.33123560       0.46764681       0.55945153 
          0.37288044       0.40073062       0.47845615 
          0.27737297       0.70784063       0.67760004 
          0.23351442       0.60331156       0.67855161 
          0.31418970       0.61244826       0.72871551 
          0.33945599       0.83665285       0.39798793 
          0.25989841       0.81730888       0.44946134 
          0.33508686       0.81906421       0.51609309 
          0.11672661       0.43067076       0.58592062 
          0.13668222       0.31845092       0.60103845 
          0.14999498       0.39399018       0.68835499 
          0.33670353       0.18507784       0.55942183 
          0.26279210       0.14029950       0.50919307 
          0.34075615       0.13123874       0.45208432 
          0.17944290       0.69261814       0.52000777 
          0.17459296       0.63199566       0.41899186 
          0.17186288       0.57471142       0.52280858 
          0.18189877       0.44803459       0.38619607 
          0.23941215       0.38124959       0.32717935 
          0.16854222       0.33299568       0.37510110 
          0.30033774       0.49759364       0.36306550 
          0.38064643       0.54397796       0.41024368 
          0.32649704       0.52350006       0.42556803 
          0.28320733       0.63482616       0.67214252 
          0.31354678       0.80042084       0.45118906 
          0.15254966       0.38570099       0.61628892 
          0.31012785       0.17658917       0.49524115 
          0.19461504       0.63080710       0.48687015 
          0.20706185       0.38365388       0.38600150 
          0.24947901       0.34575303       0.49273359 
          0.28730367       0.62387735       0.48641005 
          0.31545112       0.60999202       0.59046901 
          0.32377625       0.70819862       0.43544557 
          0.21797206       0.40224206       0.58369683 
          0.29910336       0.26015798       0.45175397 
  
 
 
  
   
   
   
          6.34847707 
       6655.16675752 
      -9225.16932576 
        254.84088363 
       2573.98116666 
      -2551.36142167 
          0.00214437 
       -531.02124557 
       3504.07976474 
        686.86720098 
        686.86505662 
        686.86648619 
   
  
  
   
   
   
        111.35342287 
        111.33190979 
        111.34625184 
   
  
  
   
   
   
       -175.05441387 
       -175.00478107 
       -175.03786960 
   
  
  
   
   
   
       -211.01963101 
       -210.96334475 
       -211.00086893 
   
  
  
   
   
   
       -211.99901023 
       -211.94259149 
       -211.98020398 
   
  
  
   
   
   
       -194.30702137 
       -194.25060270 
       -194.28821515 
   
  
  
   
   
   
       -191.81613514 
       -191.75971698 
       -191.79732909 
   
  
  
   
   
   
       -191.11803307 
       -191.06161873 
       -191.09922829 
   
  
  
   
   
   
       -190.97799271 
       -190.92158597 
       -190.95919046 
   
  
  
   
   
   
       -190.95416283 
       -190.89775868 
       -190.93536145 
   
  
  
   
   
   
       -190.94379903 
       -190.88739742 
       -190.92499849 
   
  
  
   
   
   
       -190.93863061 
       -190.88223368 
       -190.91983163 
   
  
  
   
   
   
       -190.94284671 
       -190.88645034 
       -190.92404792 
   
  
  
   
   
   
       -190.94941064 
       -190.89300910 
       -190.93061012 
   
  
  
   
   
   
       -190.95460799 
       -190.89820494 
       -190.93580697 
   
  
  
   
   
   
       -190.95853036 
       -190.90212721 
       -190.93972931 
   
  
  
   
   
   
       -190.96241424 
       -190.90601192 
       -190.94361347 
   
  
  
   
   
   
       -190.96444472 
       -190.90804362 
       -190.94564435 
   
  
  
   
   
   
       -190.96543467 
       -190.90903473 
       -190.94663469 
   
  
  
   
   
   
       -190.96578623 
       -190.90938707 
       -190.94698651 
   
  
  
   
   
   
       -190.96596528 
       -190.90956665 
       -190.94716573 
   
  
  
   
   
   
       -190.96604729 
       -190.90964890 
       -190.94724783 
   
  
  
   
   
   
       -190.96609044 
       -190.90969225 
       -190.94729105 
   
  
  
   
   
   
          6.34847707 
       6655.16675752 
      -9606.78425740 
        274.19962780 
       7003.67657173 
      -6983.32140740 
         -0.05639818 
      -1044.27523515 
       3504.07976474 
       -190.96609927 
       -190.90970110 
       -190.94729988 
   
  
  
   
    
           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 
    
   
   
           0.32877868       0.43836260       0.49410603 
           0.33123560       0.46764681       0.55945153 
           0.37288044       0.40073062       0.47845615 
           0.27737297       0.70784063       0.67760004 
           0.23351442       0.60331156       0.67855161 
           0.31418970       0.61244826       0.72871551 
           0.33945599       0.83665285       0.39798793 
           0.25989841       0.81730888       0.44946134 
           0.33508686       0.81906421       0.51609309 
           0.11672661       0.43067076       0.58592062 
           0.13668222       0.31845092       0.60103845 
           0.14999498       0.39399018       0.68835499 
           0.33670353       0.18507784       0.55942183 
           0.26279210       0.14029950       0.50919307 
           0.34075615       0.13123874       0.45208432 
           0.17944290       0.69261814       0.52000777 
           0.17459296       0.63199566       0.41899186 
           0.17186288       0.57471142       0.52280858 
           0.18189877       0.44803459       0.38619607 
           0.23941215       0.38124959       0.32717935 
           0.16854222       0.33299568       0.37510110 
           0.30033774       0.49759364       0.36306550 
           0.38064643       0.54397796       0.41024368 
           0.32649704       0.52350006       0.42556803 
           0.28320733       0.63482616       0.67214252 
           0.31354678       0.80042084       0.45118906 
           0.15254966       0.38570099       0.61628892 
           0.31012785       0.17658917       0.49524115 
           0.19461504       0.63080710       0.48687015 
           0.20706185       0.38365388       0.38600150 
           0.24947901       0.34575303       0.49273359 
           0.28730367       0.62387735       0.48641005 
           0.31545112       0.60999202       0.59046901 
           0.32377625       0.70819862       0.43544557 
           0.21797206       0.40224206       0.58369683 
           0.29910336       0.26015798       0.45175397 
   
  
  
          0.46270731       0.64110972      -0.49844903 
          0.19095449      -0.79929078      -1.35420506 
         -1.26986985       0.87555794       0.61709744 
          0.01692337      -0.03430237      -0.06193592 
          0.07262324      -0.00069018      -0.06294084 
          0.02007781      -0.02420583      -0.18367511 
          0.00971808       0.17104590      -0.01812709 
          0.01138227       0.12255352       0.03323097 
         -0.02798115       0.17175538       0.03493058 
         -0.41485903       0.45937331      -0.25438193 
         -0.21592878      -0.81332563      -0.17774828 
          0.21517085       0.13683501       0.39128026 
         -0.01998642       0.00447458      -0.07827800 
          0.05974119       0.28325851      -0.03317785 
         -0.23071946       0.62816935       0.14470590 
         -0.18614011       0.18015888       0.08941179 
         -0.08147181       0.01763259      -0.17639339 
          0.06751718      -0.05251238       0.02589666 
         -0.12629703       0.36023128       0.25279870 
          0.30152699      -0.11925885      -0.14556750 
         -0.22805818      -0.13458043      -0.15453774 
          0.68502580       0.65932864       1.04885113 
         -1.26276958      -0.54893396       0.14985308 
          0.44736121      -1.15229899       0.51658741 
         -0.05051054       0.01782544       0.01377280 
         -0.03971000      -0.03309890       0.03865346 
          0.12076195       0.04830603       0.03437110 
          0.10739619      -0.45262187      -0.01621719 
          0.05432685       0.07741971      -0.01401469 
         -0.04670626      -0.34546355       0.14875097 
          0.49581156       0.17349408      -0.23760579 
          0.34672979      -0.78778516      -0.01971075 
         -0.04447766       0.07783599       0.00884957 
         -0.01520107      -0.37760919      -0.09814699 
          0.43811139       0.44394849      -0.06691129 
          0.13681941       0.12566368       0.10298262 
  
  
         -2.79551008      -0.25475296       0.23887185 
         -0.25475295      -3.33906389       0.10153809 
          0.23887184       0.10153810      -3.49440561 
  
  
      -190.96609927 
      -190.90970110 
      -190.94729988 
  
  
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -25.2763    1.0000 
         -24.8417    1.0000 
         -24.2099    1.0000 
         -23.9056    1.0000 
         -21.8158    1.0000 
         -17.4624    1.0000 
         -16.9121    1.0000 
         -16.6253    1.0000 
         -16.5898    1.0000 
         -16.1774    1.0000 
         -15.9131    1.0000 
         -15.6823    1.0000 
         -12.9305    1.0000 
         -12.4098    1.0000 
         -12.1948    1.0000 
         -11.7293    1.0000 
         -11.1182    1.0000 
         -10.9579    1.0000 
         -10.8652    1.0000 
         -10.7278    1.0000 
         -10.6073    1.0000 
         -10.5351    1.0000 
         -10.2297    1.0000 
         -10.1399    1.0000 
          -9.9257    1.0000 
          -9.8089    1.0000 
          -9.7340    1.0000 
          -9.6090    1.0000 
          -9.5359    1.0000 
          -9.2953    1.0000 
          -8.9065    1.0000 
          -8.8731    1.0000 
          -8.3123    1.0000 
          -7.8407    1.0000 
          -7.6058    1.0000 
          -7.2059    1.0000 
          -7.1389    1.0000 
          -6.8279    1.0000 
          -6.6481    1.0000 
          -6.4675    1.0000 
          -6.3790    1.0000 
          -5.8291    1.0000 
          -5.5996    1.0000 
          -1.4881    0.5122 
          -0.6225   -0.0000 
          -0.5743   -0.0000 
          -0.2278   -0.0000 
          -0.0495   -0.0000 
           0.0910   -0.0000 
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