vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 08 
  17:19:03 
 
 
  optical spectra Si23B3C7N8O32H29 SiCON + 3*B(O)3 from Job_576/583_density=2.385
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       6
       8
        0.00001000
       1
       2
      400.00000000
        0.73000000      0.82000000      1.11000000      0.75000000      0.77000000      0.32000000
  Auto
      -5
       1
   F  
   F  
   F  
       1
   T  
 
 
  
   
    
           10.01600000       0.00000000       0.00000000 
            0.00000000      10.01600000       0.00000000 
            0.00000000       0.00000000      10.01600000 
    
       1004.80768410 
    
            0.09984026       0.00000000       0.00000000 
            0.00000000       0.09984026       0.00000000 
            0.00000000       0.00000000       0.09984026 
    
   
   
           0.58940625       0.53856039       0.81265817 
           0.22726464       0.09936549       0.31583746 
           0.21411756       0.12701496       0.04788262 
           0.35670342       0.34033208       0.94354194 
           0.54809020       0.38476754       0.63748385 
           0.61245819       0.79602394       0.15407412 
           0.57769611       0.61351826       0.58669178 
           0.39543270       0.03950396       0.81160168 
           0.47159072       0.12674428       0.06147841 
           0.82997889       0.76997411       0.31818474 
           0.60308316       0.21073686       0.83465859 
           0.53306246       0.11380930       0.60428398 
           0.09431902       0.66283559       0.92274948 
           0.11512344       0.26897876       0.84894956 
           0.22389832       0.48449759       0.46453916 
           0.44693147       0.46932348       0.39664125 
           0.88066057       0.62582365       0.81131955 
           0.10293575       0.74949800       0.15499075 
           0.75159957       0.22755786       0.59014784 
           0.87530226       0.38441804       0.87624889 
           0.72074296       0.51306859       0.35935406 
           0.50343741       0.76787827       0.39149100 
           0.48084059       0.84403212       0.65000713 
           0.98489869       0.90493709       0.51159156 
           0.34902418       0.85028458       0.19457913 
           0.54418843       0.00769627       0.28655906 
           0.07624206       0.58213428       0.64848512 
           0.98435769       0.36816235       0.48488619 
           0.98947016       0.59770177       0.39223921 
           0.32647329       0.27205302       0.48244614 
           0.94619756       0.18219710       0.03134743 
           0.81466323       0.46733190       0.65923420 
           0.85439199       0.49164947       0.78947065 
           0.57435908       0.51431929       0.67871431 
           0.33479188       0.40508009       0.44385714 
           0.53128086       0.66577388       0.90359048 
           0.40251495       0.45473055       0.05807733 
           0.22211631       0.76924585       0.26244550 
           0.68976598       0.80261257       0.00758886 
           0.24168256       0.13192970       0.47338517 
           0.58238097       0.42816487       0.30948037 
           0.52102332       0.08316690       0.91155796 
           0.06966383       0.51026200       0.50089619 
           0.42971004       0.99686456       0.65518190 
           0.21035886       0.27723463       0.98159495 
           0.95474016       0.23149712       0.87377982 
           0.84845721       0.89983837       0.41634517 
           0.56967744       0.14039980       0.19541915 
           0.98870076       0.69628081       0.05191349 
           0.87681994       0.32879906       0.59898061 
           0.60744112       0.23906924       0.67340521 
           0.13434594       0.09278754       0.18457619 
           0.57287861       0.76785721       0.53888415 
           0.02693937       0.98783346       0.64832391 
           0.50103320       0.85512252       0.25444738 
           0.03413979       0.68446142       0.77047199 
           0.84848980       0.60769156       0.30502859 
           0.86718434       0.18029921       0.18230944 
           0.39496591       0.61149846       0.99309442 
           0.86560282       0.81425580       0.02064242 
           0.32399523       0.99489971       0.52784092 
           0.08539751       0.84724756       0.73916576 
           0.57339523       0.25677084       0.32070088 
           0.71450269       0.15935823       0.11173904 
           0.10676035       0.12774014       0.58141357 
           0.28080890       0.42599195       0.17758714 
           0.57221359       0.45782357       0.12815479 
           0.65169124       0.95466404       0.90916369 
           0.85350008       0.06972626       0.33667175 
           0.15461478       0.40057736       0.10806867 
           0.91620113       0.06950065       0.78065271 
           0.72736473       0.86516064       0.55150617 
           0.88492578       0.56491920       0.12886675 
           0.30564425       0.65043157       0.96218153 
           0.89277761       0.91157477       0.03565979 
           0.27417547       0.90781420       0.50995582 
           0.12711171       0.87740228       0.82793721 
           0.52453099       0.22322857       0.40389985 
           0.70686215       0.19765098       0.01793140 
           0.11755125       0.20074147       0.65244013 
           0.27163591       0.50357848       0.24311299 
           0.65781252       0.91861228       0.80528021 
           0.75840002       0.11445253       0.37165055 
           0.11709492       0.48795490       0.05350421 
           0.81596341       0.07590386       0.73809003 
           0.78781927       0.81319886       0.62758755 
           0.92062032       0.46246624       0.12390913 
           0.74017469       0.01630316       0.92313372 
           0.92857095       0.11643925       0.40259166 
           0.07700213       0.36882312       0.17786007 
           0.90980030       0.99210442       0.85761618 
           0.69786583       0.96073278       0.59590350 
           0.79135997       0.56540754       0.07173659 
           0.46548344       0.77054693       0.82700905 
           0.27447388       0.64258113       0.31178235 
           0.06513245       0.96502953       0.17000565 
           0.88016268       0.31483146       0.24274659 
           0.16664377       0.84555956       0.37524022 
           0.04119646       0.19925462       0.23097611 
           0.64334605       0.38896173       0.08148789 
           0.60791698       0.55958289       0.10832471 
           0.96906660       0.27915497       0.69731244 
   
  
  
           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 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
          76 
          77 
          78 
          79 
          80 
          81 
          82 
          83 
          84 
          85 
          86 
          87 
          88 
          89 
          90 
          91 
          92 
          93 
          94 
          95 
          96 
          97 
          98 
          99 
         100 
         101 
         102 
  
 
 
  
          3        3        3 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.33333333       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.33333333       0.33333333       0.00000000 
          0.00000000       0.33333333       0.33333333 
          0.33333333       0.00000000       0.33333333 
         -0.33333333       0.33333333       0.00000000 
         -0.33333333       0.00000000       0.33333333 
          0.00000000      -0.33333333       0.33333333 
          0.33333333       0.33333333       0.33333333 
         -0.33333333       0.33333333       0.33333333 
         -0.33333333      -0.33333333       0.33333333 
          0.33333333      -0.33333333       0.33333333 
  
  
          0.03703704 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
          0.07407407 
  
  
           2        1        2        4        5 
           2        1        3        4        5 
           2        3        4        5        6 
           2        2        4        5        7 
           2        4        5        7       11 
           2        4        5        6       11 
           2        2        2        7        8 
           2        2        5        7        8 
           2        5        7        8       11 
           2        2        7        8        9 
           2        7        8        9       12 
           2        7        8       11       12 
           2        1        2        3        9 
           2        2        3        8        9 
           2        3        8        9       12 
           2        1        3        4        9 
           2        3        4        6        9 
           2        3        6        9       12 
           2        3        5        6        8 
           2        3        3        6        8 
           2        3        6        8       10 
           2        5        6        8       11 
           2        6        8       11       14 
           2        6        8       10       14 
           4        5        5        8       11 
           2        5        8       11       14 
           2        5        8       11       12 
           2        5       11       12       13 
           2        5       11       13       14 
           2        3        3        8       12 
           2        3        5        8       12 
           2        3        5       12       13 
           2        3        3        6       12 
           2        3        6       10       12 
           2        3       10       12       13 
           2        2        3        8       10 
           2        1        2        3       10 
           2        1        2        4       10 
           2        2        8       10       14 
           2        2        7       10       14 
           2        2        4        7       10 
           2        2        5        8       14 
           2        2        2        8       14 
           2        2        2        7       14 
           2        2        5       13       14 
           2        2        9       13       14 
           2        2        7        9       14 
           2        1        3        5       13 
           2        1        2        5       13 
           2        1        2        9       13 
           2        1        3       10       13 
           2        1        4       10       13 
           2        1        4        9       13 
           2        4        4        7       11 
           2        4        4        6       11 
           2        4        6       10       11 
           2        4        7        9       11 
           2        4        9       11       13 
           2        4       10       11       13 
           4        7        9        9       12 
           2        7        9       11       12 
           2        9       11       12       13 
           2        7        9       12       14 
           2        9       12       13       14 
           2        4        6        7        9 
           2        6        7        9       12 
           2        6        7       12       14 
           2        4        4        6        7 
           2        4        6        7       10 
           2        6        7       10       14 
           2        6       10       11       14 
           4        6       10       10       14 
           2       10       11       13       14 
           2       10       12       13       14 
           2        6       10       12       14 
           2       11       12       13       13 
           2       11       13       13       14 
           2       12       13       13       14 
  
        0.00617284 
 
 
  
   optical spectra Si23B3C7N8O32H29 SiCON +
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
      248
       -1
       -1
       390.00000000
        0
        0
        0
        0
         0.00000000
   
        -5
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -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      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      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  
   
   
       200
        -5
         6
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000001
           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
   
  
  
       50
       50
       50
      100
      100
      100
    F  
  
  
        1
        8
        0
        2
         0.00000000
         0.00010000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         0.73000000      0.82000000      1.11000000      0.75000000      0.77000000      0.32000000
      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  
        16.00000000     10.81100000     28.08500000     14.00100000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
         5.91063344
         1.00000000
  
  
    T  
    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  
    T  
    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
      200
        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  
  
 
 
       102 
         6 
  
   ion
   element
   atomtype
   
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    B    2
    B    2
    B    2
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    Si   3
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       3B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      23Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      29H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.01600000       0.00000000       0.00000000 
           0.00000000      10.01600000       0.00000000 
           0.00000000       0.00000000      10.01600000 
   
      1004.80768410 
   
           0.09984026       0.00000000       0.00000000 
           0.00000000       0.09984026       0.00000000 
           0.00000000       0.00000000       0.09984026 
   
  
  
          0.58940625       0.53856039       0.81265817 
          0.22726464       0.09936549       0.31583746 
          0.21411756       0.12701496       0.04788262 
          0.35670342       0.34033208       0.94354194 
          0.54809020       0.38476754       0.63748385 
          0.61245819       0.79602394       0.15407412 
          0.57769611       0.61351826       0.58669178 
          0.39543270       0.03950396       0.81160168 
          0.47159072       0.12674428       0.06147841 
          0.82997889       0.76997411       0.31818474 
          0.60308316       0.21073686       0.83465859 
          0.53306246       0.11380930       0.60428398 
          0.09431902       0.66283559       0.92274948 
          0.11512344       0.26897876       0.84894956 
          0.22389832       0.48449759       0.46453916 
          0.44693147       0.46932348       0.39664125 
          0.88066057       0.62582365       0.81131955 
          0.10293575       0.74949800       0.15499075 
          0.75159957       0.22755786       0.59014784 
          0.87530226       0.38441804       0.87624889 
          0.72074296       0.51306859       0.35935406 
          0.50343741       0.76787827       0.39149100 
          0.48084059       0.84403212       0.65000713 
          0.98489869       0.90493709       0.51159156 
          0.34902418       0.85028458       0.19457913 
          0.54418843       0.00769627       0.28655906 
          0.07624206       0.58213428       0.64848512 
          0.98435769       0.36816235       0.48488619 
          0.98947016       0.59770177       0.39223921 
          0.32647329       0.27205302       0.48244614 
          0.94619756       0.18219710       0.03134743 
          0.81466323       0.46733190       0.65923420 
          0.85439199       0.49164947       0.78947065 
          0.57435908       0.51431929       0.67871431 
          0.33479188       0.40508009       0.44385714 
          0.53128086       0.66577388       0.90359048 
          0.40251495       0.45473055       0.05807733 
          0.22211631       0.76924585       0.26244550 
          0.68976598       0.80261257       0.00758886 
          0.24168256       0.13192970       0.47338517 
          0.58238097       0.42816487       0.30948037 
          0.52102332       0.08316690       0.91155796 
          0.06966383       0.51026200       0.50089619 
          0.42971004       0.99686456       0.65518190 
          0.21035886       0.27723463       0.98159495 
          0.95474016       0.23149712       0.87377982 
          0.84845721       0.89983837       0.41634517 
          0.56967744       0.14039980       0.19541915 
          0.98870076       0.69628081       0.05191349 
          0.87681994       0.32879906       0.59898061 
          0.60744112       0.23906924       0.67340521 
          0.13434594       0.09278754       0.18457619 
          0.57287861       0.76785721       0.53888415 
          0.02693937       0.98783346       0.64832391 
          0.50103320       0.85512252       0.25444738 
          0.03413979       0.68446142       0.77047199 
          0.84848980       0.60769156       0.30502859 
          0.86718434       0.18029921       0.18230944 
          0.39496591       0.61149846       0.99309442 
          0.86560282       0.81425580       0.02064242 
          0.32399523       0.99489971       0.52784092 
          0.08539751       0.84724756       0.73916576 
          0.57339523       0.25677084       0.32070088 
          0.71450269       0.15935823       0.11173904 
          0.10676035       0.12774014       0.58141357 
          0.28080890       0.42599195       0.17758714 
          0.57221359       0.45782357       0.12815479 
          0.65169124       0.95466404       0.90916369 
          0.85350008       0.06972626       0.33667175 
          0.15461478       0.40057736       0.10806867 
          0.91620113       0.06950065       0.78065271 
          0.72736473       0.86516064       0.55150617 
          0.88492578       0.56491920       0.12886675 
          0.30564425       0.65043157       0.96218153 
          0.89277761       0.91157477       0.03565979 
          0.27417547       0.90781420       0.50995582 
          0.12711171       0.87740228       0.82793721 
          0.52453099       0.22322857       0.40389985 
          0.70686215       0.19765098       0.01793140 
          0.11755125       0.20074147       0.65244013 
          0.27163591       0.50357848       0.24311299 
          0.65781252       0.91861228       0.80528021 
          0.75840002       0.11445253       0.37165055 
          0.11709492       0.48795490       0.05350421 
          0.81596341       0.07590386       0.73809003 
          0.78781927       0.81319886       0.62758755 
          0.92062032       0.46246624       0.12390913 
          0.74017469       0.01630316       0.92313372 
          0.92857095       0.11643925       0.40259166 
          0.07700213       0.36882312       0.17786007 
          0.90980030       0.99210442       0.85761618 
          0.69786583       0.96073278       0.59590350 
          0.79135997       0.56540754       0.07173659 
          0.46548344       0.77054693       0.82700905 
          0.27447388       0.64258113       0.31178235 
          0.06513245       0.96502953       0.17000565 
          0.88016268       0.31483146       0.24274659 
          0.16664377       0.84555956       0.37524022 
          0.04119646       0.19925462       0.23097611 
          0.64334605       0.38896173       0.08148789 
          0.60791698       0.55958289       0.10832471 
          0.96906660       0.27915497       0.69731244 
  
 
 
  
      26.26   26.40
      26.39   26.53
   
        539.60236902 
     -12779.86472543 
      -6879.67510696 
       1040.10983330 
      15707.93322135 
     -15372.05040998 
          0.00000000 
       -228.06487506 
      19924.01026666 
       1952.00057290 
       1952.00057290 
       1952.00057290 
   
  
  
      46.89   46.91
      46.90   46.91
   
       -557.13712065 
       -557.13712065 
       -557.13712065 
   
  
  
      51.20   51.21
      51.21   51.22
   
       -744.34851302 
       -744.34851302 
       -744.34851302 
   
  
  
      52.45   52.46
      52.46   52.47
   
       -748.09634566 
       -748.09634566 
       -748.09634566 
   
  
  
      51.49   51.50
      51.70   51.72
   
       -748.19938708 
       -748.19938708 
       -748.19938708 
   
  
  
      49.47   49.49
      49.81   49.83
   
       -669.07704326 
       -669.07704326 
       -669.07704326 
   
  
  
      54.24   54.25
      54.58   54.59
   
       -666.98973810 
       -666.98973810 
       -666.98973810