vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 21:42:41) complex                          parallel 
  Lin64 
  2025 03 30 
  23:42:00 
 
 
  optical spectra Si35(B)(C10)(N11)(O43)H31  from job 1610 MBJLDA
       0
  Normal
  Damped
   F  
       1
       2
       1
    3000
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
     660
        1.11000000      0.77000000      0.75000000      0.32000000      0.82000000      0.73000000
   F  
        0.40000000
       1
        0.20000000
       1
   F  
   T  
   F  
   T  
       1
  MBJ
   T  
 
 
  
   
    
           11.38450579       0.00000000       0.00000000 
            0.00000000      11.38450579       0.00000000 
            0.00000000       0.00000000      11.38450579 
    
       1475.51132410 
    
            0.08783868       0.00000000       0.00000000 
            0.00000000       0.08783868       0.00000000 
            0.00000000       0.00000000       0.08783868 
    
   
   
           0.95337577       0.42897037       0.99101745 
           0.98465732       0.78354110       0.99179053 
           0.67678772       0.96161429       0.93608504 
           0.45539615       0.84638781       0.27203440 
           0.81054797       0.80188755       0.89283261 
           0.52516249       0.41719435       0.25984534 
           0.58061602       0.39455377       0.01920230 
           0.78353368       0.51617079       0.89734666 
           0.16098213       0.49227233       0.57255544 
           0.12056376       0.33484147       0.44771711 
           0.74067016       0.57772730       0.43790524 
           0.83541186       0.46692373       0.70494065 
           0.21726896       0.24332274       0.21757718 
           0.04706261       0.25158117       0.04417851 
           0.35518615       0.66532468       0.53172482 
           0.63925602       0.70200948       0.56710662 
           0.09444313       0.16593917       0.57420995 
           0.04623578       0.80668993       0.58579051 
           0.33577467       0.04280949       0.65050927 
           0.23943280       0.80870504       0.62698728 
           0.80122103       0.91758820       0.64397887 
           0.98259178       0.61671593       0.54350569 
           0.63319915       0.29115583       0.70675089 
           0.40253354       0.49345997       0.02843720 
           0.34500219       0.69199548       0.02470666 
           0.72519438       0.23456587       0.31459292 
           0.49557658       0.00566910       0.45654341 
           0.00538501       0.36017196       0.72962943 
           0.56784488       0.00669158       0.10370841 
           0.21588475       0.76878406       0.26374828 
           0.03191138       0.01918239       0.89019122 
           0.43902162       0.16405756       0.24407317 
           0.60493323       0.08613054       0.68947240 
           0.80480314       0.05113435       0.14502771 
           0.95782381       0.85129436       0.23549480 
           0.06362484       0.55275510       0.02293253 
           0.50695531       0.72121360       0.07669612 
           0.65720586       0.70537513       0.24316625 
           0.63356920       0.26106358       0.93845538 
           0.95296323       0.48703180       0.34494353 
           0.67361320       0.44105680       0.51045296 
           0.27186830       0.31310028       0.07590667 
           0.51056484       0.61588448       0.76611426 
           0.99369258       0.04289086       0.51646751 
           0.49052949       0.37229717       0.70818896 
           0.05832294       0.65940150       0.95035547 
           0.52532256       0.71866644       0.20760244 
           0.68353638       0.59416247       0.29506556 
           0.71369413       0.29518171       0.84111246 
           0.98143298       0.38155782       0.40968411 
           0.73633427       0.37775603       0.60791436 
           0.18652616       0.28535159       0.99022297 
           0.62234275       0.63922738       0.70332183 
           0.95748641       0.94491845       0.60077467 
           0.29746632       0.91345092       0.71685656 
           0.89707226       0.58039267       0.41890512 
           0.15060933       0.51241888       0.01007840 
           0.05834850       0.57341761       0.11742475 
           0.13526533       0.67563266       0.90525627 
           0.56219501       0.65042671       0.04047934 
           0.54192738       0.80233149       0.03837407 
           0.48253208       0.63597421       0.22862492 
           0.67822091       0.77756717       0.30297142 
           0.70592427       0.71841406       0.16098356 
           0.70576286       0.53216928       0.23372212 
           0.56169677       0.20278180       0.91009751 
           0.68473267       0.21339543       0.00426894 
           0.78138455       0.23549962       0.83830889 
           0.03296851       0.52449728       0.30558055 
           0.89319225       0.46570579       0.27133432 
           0.91466218       0.31855587       0.41040101 
           0.64882022       0.37531883       0.44430771 
           0.59066302       0.47599930       0.54440683 
           0.78482210       0.31372519       0.55907102 
           0.35989414       0.28008536       0.05391063 
           0.27832591       0.41279711       0.09582640 
           0.20368688       0.31148775       0.90636151 
           0.43833913       0.66975416       0.72982877 
           0.51891235       0.65580862       0.85353017 
           0.68634174       0.65983791       0.76241698 
           0.03297448       0.00367514       0.43785544 
           0.91378262       0.09103014       0.48958368 
           0.98282156       0.97330815       0.68584886 
           0.31006186       0.88402068       0.80236611 
           0.89146865       0.72767601       0.36950110 
           0.42859043       0.30273425       0.73429794 
           0.47134203       0.38787947       0.61440875 
           0.46124165       0.48449834       0.78474062 
           0.65096822       0.49961141       0.94958488 
           0.38587385       0.46592214       0.87707873 
           0.80414967       0.22692853       0.42992657 
           0.91885255       0.98287624       0.19643548 
           0.36544800       0.00111093       0.51369998 
           0.59125325       0.03009276       0.55483423 
           0.99777740       0.35201330       0.87128325 
           0.01331535       0.22565809       0.68050662 
           0.45802611       0.93413997       0.16041254 
           0.51418356       0.14075055       0.12176751 
           0.16083030       0.86081839       0.50854248 
           0.20287956       0.65532691       0.36004128 
           0.06127970       0.90684227       0.98006014 
           0.93574623       0.75896485       0.12769666 
           0.50183059       0.10619536       0.35644409 
           0.29982469       0.12592581       0.23646140 
           0.44919735       0.10619756       0.70777912 
           0.76005141       0.04856260       0.67400158 
           0.68289287       0.98629400       0.19270972 
           0.80255676       0.18512117       0.19358113 
           0.88333161       0.81391064       0.35139549 
           0.09766502       0.84582224       0.26314624 
           0.71263028       0.82970901       0.57098662 
           0.29677312       0.54434815       0.58914997 
           0.84219569       0.83607241       0.75525363 
           0.87786065       0.59360700       0.64524850 
           0.25457612       0.71935885       0.13716714 
           0.22087392       0.13026886       0.63576928 
           0.53129992       0.88429758       0.38595320 
           0.32057415       0.85123352       0.31279158 
           0.30799209       0.75022034       0.90490848 
           0.43526625       0.51269192       0.18962617 
           0.77479503       0.66304682       0.90049072 
           0.43360814       0.30392788       0.26101855 
           0.08166437       0.21216202       0.18049602 
           0.49818783       0.68636433       0.52243446 
           0.00468420       0.13178327       0.97634857 
           0.33128323       0.63792085       0.38542894 
           0.63108312       0.39319485       0.15542898 
           0.60920676       0.01146303       0.82024898 
           0.12643806       0.43490188       0.70267891 
           0.78983042       0.04087045       0.99910245 
           0.21163462       0.32261094       0.33614589 
   
  
  
           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 
         103 
         104 
         105 
         106 
         107 
         108 
         109 
         110 
         111 
         112 
         113 
         114 
         115 
         116 
         117 
         118 
         119 
         120 
         121 
         122 
         123 
         124 
         125 
         126 
         127 
         128 
         129 
         130 
         131 
  
 
 
  
          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 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   optical spectra Si35(B)(C10)(N11)(O43)H3
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       53
       10
      672
       -1
       -1
       527.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      -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      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  
   
   
     T  
     F  
   
   
      3000
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000000
           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
   
  
  
       56
       56
       56
      112
      112
      112
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.77000000      0.75000000      0.32000000      0.82000000      0.73000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    T  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
       14
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     12.01100000     14.00100000      1.00000000     10.81100000     16.00000000
         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  
    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  
        2
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
         6.75806713
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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  
       -1
       -1
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -1.60000002
        -1.60000002
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
        1
        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
  
  
        1
    F  
  
  
    F  
  
 
 
       131 
         6 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    B    5
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      35Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      10C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      11N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      31H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      43O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          11.38450579       0.00000000       0.00000000 
           0.00000000      11.38450579       0.00000000 
           0.00000000       0.00000000      11.38450579 
   
      1475.51132410 
   
           0.08783868       0.00000000       0.00000000 
           0.00000000       0.08783868       0.00000000 
           0.00000000       0.00000000       0.08783868 
   
  
  
          0.95337577       0.42897037       0.99101745 
          0.98465732       0.78354110       0.99179053 
          0.67678772       0.96161429       0.93608504 
          0.45539615       0.84638781       0.27203440 
          0.81054797       0.80188755       0.89283261 
          0.52516249       0.41719435       0.25984534 
          0.58061602       0.39455377       0.01920230 
          0.78353368       0.51617079       0.89734666 
          0.16098213       0.49227233       0.57255544 
          0.12056376       0.33484147       0.44771711 
          0.74067016       0.57772730       0.43790524 
          0.83541186       0.46692373       0.70494065 
          0.21726896       0.24332274       0.21757718 
          0.04706261       0.25158117       0.04417851 
          0.35518615       0.66532468       0.53172482 
          0.63925602       0.70200948       0.56710662 
          0.09444313       0.16593917       0.57420995 
          0.04623578       0.80668993       0.58579051 
          0.33577467       0.04280949       0.65050927 
          0.23943280       0.80870504       0.62698728 
          0.80122103       0.91758820       0.64397887 
          0.98259178       0.61671593       0.54350569 
          0.63319915       0.29115583       0.70675089 
          0.40253354       0.49345997       0.02843720 
          0.34500219       0.69199548       0.02470666 
          0.72519438       0.23456587       0.31459292 
          0.49557658       0.00566910       0.45654341 
          0.00538501       0.36017196       0.72962943 
          0.56784488       0.00669158       0.10370841 
          0.21588475       0.76878406       0.26374828 
          0.03191138       0.01918239       0.89019122 
          0.43902162       0.16405756       0.24407317 
          0.60493323       0.08613054       0.68947240 
          0.80480314       0.05113435       0.14502771 
          0.95782381       0.85129436       0.23549480 
          0.06362484       0.55275510       0.02293253 
          0.50695531       0.72121360       0.07669612 
          0.65720586       0.70537513       0.24316625 
          0.63356920       0.26106358       0.93845538 
          0.95296323       0.48703180       0.34494353 
          0.67361320       0.44105680       0.51045296 
          0.27186830       0.31310028       0.07590667 
          0.51056484       0.61588448       0.76611426 
          0.99369258       0.04289086       0.51646751 
          0.49052949       0.37229717       0.70818896 
          0.05832294       0.65940150       0.95035547 
          0.52532256       0.71866644       0.20760244 
          0.68353638       0.59416247       0.29506556 
          0.71369413       0.29518171       0.84111246 
          0.98143298       0.38155782       0.40968411 
          0.73633427       0.37775603       0.60791436 
          0.18652616       0.28535159       0.99022297 
          0.62234275       0.63922738       0.70332183 
          0.95748641       0.94491845       0.60077467 
          0.29746632       0.91345092       0.71685656 
          0.89707226       0.58039267       0.41890512 
          0.15060933       0.51241888       0.01007840 
          0.05834850       0.57341761       0.11742475 
          0.13526533       0.67563266       0.90525627 
          0.56219501       0.65042671       0.04047934 
          0.54192738       0.80233149       0.03837407 
          0.48253208       0.63597421       0.22862492 
          0.67822091       0.77756717       0.30297142 
          0.70592427       0.71841406       0.16098356 
          0.70576286       0.53216928       0.23372212 
          0.56169677       0.20278180       0.91009751 
          0.68473267       0.21339543       0.00426894 
          0.78138455       0.23549962       0.83830889 
          0.03296851       0.52449728       0.30558055 
          0.89319225       0.46570579       0.27133432 
          0.91466218       0.31855587       0.41040101 
          0.64882022       0.37531883       0.44430771 
          0.59066302       0.47599930       0.54440683 
          0.78482210       0.31372519       0.55907102 
          0.35989414       0.28008536       0.05391063 
          0.27832591       0.41279711       0.09582640 
          0.20368688       0.31148775       0.90636151 
          0.43833913       0.66975416       0.72982877 
          0.51891235       0.65580862       0.85353017 
          0.68634174       0.65983791       0.76241698 
          0.03297448       0.00367514       0.43785544 
          0.91378262       0.09103014       0.48958368 
          0.98282156       0.97330815       0.68584886 
          0.31006186       0.88402068       0.80236611 
          0.89146865       0.72767601       0.36950110 
          0.42859043       0.30273425       0.73429794 
          0.47134203       0.38787947       0.61440875 
          0.46124165       0.48449834       0.78474062 
          0.65096822       0.49961141       0.94958488 
          0.38587385       0.46592214       0.87707873 
          0.80414967       0.22692853       0.42992657 
          0.91885255       0.98287624       0.19643548 
          0.36544800       0.00111093       0.51369998 
          0.59125325       0.03009276       0.55483423 
          0.99777740       0.35201330       0.87128325 
          0.01331535       0.22565809       0.68050662 
          0.45802611       0.93413997       0.16041254 
          0.51418356       0.14075055       0.12176751 
          0.16083030       0.86081839       0.50854248 
          0.20287956       0.65532691       0.36004128 
          0.06127970       0.90684227       0.98006014 
          0.93574623       0.75896485       0.12769666 
          0.50183059       0.10619536       0.35644409 
          0.29982469       0.12592581       0.23646140 
          0.44919735       0.10619756       0.70777912 
          0.76005141       0.04856260       0.67400158 
          0.68289287       0.98629400       0.19270972 
          0.80255676       0.18512117       0.19358113 
          0.88333161       0.81391064       0.35139549 
          0.09766502       0.84582224       0.26314624 
          0.71263028       0.82970901       0.57098662 
          0.29677312       0.54434815       0.58914997 
          0.84219569       0.83607241       0.75525363 
          0.87786065       0.59360700       0.64524850 
          0.25457612       0.71935885       0.13716714 
          0.22087392       0.13026886       0.63576928 
          0.53129992       0.88429758       0.38595320 
          0.32057415       0.85123352       0.31279158 
          0.30799209       0.75022034       0.90490848 
          0.43526625       0.51269192       0.18962617 
          0.77479503       0.66304682       0.90049072 
          0.43360814       0.30392788       0.26101855 
          0.08166437       0.21216202       0.18049602 
          0.49818783       0.68636433       0.52243446 
          0.00468420       0.13178327       0.97634857 
          0.33128323       0.63792085       0.38542894 
          0.63108312       0.39319485       0.15542898 
          0.60920676       0.01146303       0.82024898 
          0.12643806       0.43490188       0.70267891 
          0.78983042       0.04087045       0.99910245 
          0.21163462       0.32261094       0.33614589 
  
 
 
  
         1.00000000