vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 08 08 
  20:03:00 
 
 
  Optical_TIMEEV_BPDAPDA2_geo1174
       1
  Accurate
  TIMEEV
   F  
       1
       2
       1
       2
      -1
        0.00001000
       -0.02000000
       0
       1
      400.00000000
     346
        0.77000000      0.32000000      0.75000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
   T  
   T  
       4
       1
 
 
  
   
    
           10.68520113       0.00000000       0.00000000 
            0.00000000      10.68520113       0.00000000 
            0.00000000       0.00000000      10.68520113 
    
       1219.96705899 
    
            0.09358738       0.00000000       0.00000000 
            0.00000000       0.09358738       0.00000000 
            0.00000000       0.00000000       0.09358738 
    
   
   
           0.89167668       0.10851568       0.41438476 
           0.95717831       0.11456368       0.52658115 
           0.07762067       0.06275597       0.53508445 
           0.93704253       0.04817863       0.30974994 
           0.05279939       0.99100513       0.32016151 
           0.12799239       0.99900668       0.42913538 
           0.76937483       0.16871836       0.42582711 
           0.87055836       0.17778434       0.61912581 
           0.25137795       0.93281419       0.42490501 
           0.32450029       0.90320285       0.53157569 
           0.43049346       0.82860847       0.51554810 
           0.29326277       0.88804439       0.30720347 
           0.39724792       0.81175005       0.29249214 
           0.46582853       0.78426063       0.39837141 
           0.58186843       0.71089465       0.40881864 
           0.51850397       0.77322606       0.60876063 
           0.71279064       0.63362859       0.59015557 
           0.72242610       0.61368890       0.72000365 
           0.81827290       0.53916810       0.76776538 
           0.80289792       0.57844190       0.51077360 
           0.89756097       0.50400876       0.56079807 
           0.90586295       0.48328616       0.68930601 
           0.71410023       0.91403861       0.04555289 
           0.71701889       0.93728318       0.91701132 
           0.81349721       0.89504690       0.84249705 
           0.80784919       0.84330851       0.10146126 
           0.90603219       0.80045186       0.02626225 
           0.91221105       0.82561831       0.89672449 
           0.60072087       0.97524665       0.09810933 
           0.60204090       0.00803360       0.88131929 
           0.01254716       0.77306391       0.81677191 
           0.11012499       0.69792119       0.86625579 
           0.18976587       0.63793503       0.78293713 
           0.00569931       0.79013559       0.68605410 
           0.08471372       0.72842468       0.60339194 
           0.17471442       0.65054007       0.65461504 
           0.26196282       0.56719335       0.58940455 
           0.29459403       0.54852255       0.80491059 
           0.43931630       0.42678653       0.65845270 
           0.51718442       0.37542503       0.75163898 
           0.62226570       0.30398085       0.71956929 
           0.46901780       0.40147687       0.53323369 
           0.57377406       0.33261532       0.50212583 
           0.65291815       0.28183432       0.59371300 
           0.13111593       0.07040408       0.62194791 
           0.88130335       0.04356651       0.22438788 
           0.08339173       0.93578782       0.24042834 
           0.29859818       0.93509058       0.62515422 
           0.24368242       0.91398815       0.22226442 
           0.42444167       0.77503164       0.20123836 
           0.82243363       0.52253209       0.86838842 
           0.65349088       0.65402877       0.78278004 
           0.79673186       0.59145665       0.41023463 
           0.96580145       0.46182746       0.49754625 
           0.80916382       0.91535392       0.74291513 
           0.80357520       0.81982987       0.20065107 
           0.97852299       0.74332168       0.06994855 
           0.12199663       0.68295110       0.96654476 
           0.93279220       0.84864073       0.64607398 
           0.07449545       0.73776542       0.50253661 
           0.68176692       0.26769424       0.79379106 
           0.49688846       0.39310169       0.84992543 
           0.41141691       0.43803698       0.45833750 
           0.59268104       0.31815012       0.40379870 
           0.97833848       0.42278321       0.72783348 
           0.45763861       0.07653003       0.00136330 
           0.75932864       0.21174322       0.55174530 
           0.61166732       0.70505541       0.53900266 
           0.53795194       0.02587306       0.99416420 
           0.33585569       0.50752031       0.68398014 
           0.88852109       0.19457560       0.73086334 
           0.69323310       0.17754884       0.34092075 
           0.51115150       0.77952000       0.72271844 
           0.64178849       0.66564942       0.32222539 
           0.56775082       0.04370654       0.77821250 
           0.56618658       0.98339222       0.20664753 
           0.33743890       0.51471038       0.90539101 
           0.26660457       0.55243777       0.47572296 
   
  
  
           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 
  
 
 
  
          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_TIMEEV_BPDAPDA2_geo1174
    F  
  
  
   accura
       400.00000000
       644.87300000
         0.00001000
       38
       10
      348
       -1
       -1
       266.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00025000     -0.00025000     -0.00025000     -0.00025000
      -100
         2
     F  
   
   
         1
         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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
         0
         2
        400.00000000
    
      T  
      F  
           0.00000000
           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
   
  
  
       70
       70
       70
      140
      140
      140
    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
         0.77000000      0.32000000      0.75000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000      1.00000000     14.00100000     16.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
         9.38436199
         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  
    T  
    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
        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
  
  
    F  
  
 
 
        78 
         4 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    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
    N    3
    N    3
    N    3
    N    3
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      44C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       4N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          10.68520113       0.00000000       0.00000000 
           0.00000000      10.68520113       0.00000000 
           0.00000000       0.00000000      10.68520113 
   
      1219.96705899 
   
           0.09358738       0.00000000       0.00000000 
           0.00000000       0.09358738       0.00000000 
           0.00000000       0.00000000       0.09358738 
   
  
  
          0.89167668       0.10851568       0.41438476 
          0.95717831       0.11456368       0.52658115 
          0.07762067       0.06275597       0.53508445 
          0.93704253       0.04817863       0.30974994 
          0.05279939       0.99100513       0.32016151 
          0.12799239       0.99900668       0.42913538 
          0.76937483       0.16871836       0.42582711 
          0.87055836       0.17778434       0.61912581 
          0.25137795       0.93281419       0.42490501 
          0.32450029       0.90320285       0.53157569 
          0.43049346       0.82860847       0.51554810 
          0.29326277       0.88804439       0.30720347 
          0.39724792       0.81175005       0.29249214 
          0.46582853       0.78426063       0.39837141 
          0.58186843       0.71089465       0.40881864 
          0.51850397       0.77322606       0.60876063 
          0.71279064       0.63362859       0.59015557 
          0.72242610       0.61368890       0.72000365 
          0.81827290       0.53916810       0.76776538 
          0.80289792       0.57844190       0.51077360 
          0.89756097       0.50400876       0.56079807 
          0.90586295       0.48328616       0.68930601 
          0.71410023       0.91403861       0.04555289 
          0.71701889       0.93728318       0.91701132 
          0.81349721       0.89504690       0.84249705 
          0.80784919       0.84330851       0.10146126 
          0.90603219       0.80045186       0.02626225 
          0.91221105       0.82561831       0.89672449 
          0.60072087       0.97524665       0.09810933 
          0.60204090       0.00803360       0.88131929 
          0.01254716       0.77306391       0.81677191 
          0.11012499       0.69792119       0.86625579 
          0.18976587       0.63793503       0.78293713 
          0.00569931       0.79013559       0.68605410 
          0.08471372       0.72842468       0.60339194 
          0.17471442       0.65054007       0.65461504 
          0.26196282       0.56719335       0.58940455 
          0.29459403       0.54852255       0.80491059 
          0.43931630       0.42678653       0.65845270 
          0.51718442       0.37542503       0.75163898 
          0.62226570       0.30398085       0.71956929 
          0.46901780       0.40147687       0.53323369 
          0.57377406       0.33261532       0.50212583 
          0.65291815       0.28183432       0.59371300 
          0.13111593       0.07040408       0.62194791 
          0.88130335       0.04356651       0.22438788 
          0.08339173       0.93578782       0.24042834 
          0.29859818       0.93509058       0.62515422 
          0.24368242       0.91398815       0.22226442 
          0.42444167       0.77503164       0.20123836 
          0.82243363       0.52253209       0.86838842 
          0.65349088       0.65402877       0.78278004 
          0.79673186       0.59145665       0.41023463 
          0.96580145       0.46182746       0.49754625 
          0.80916382       0.91535392       0.74291513 
          0.80357520       0.81982987       0.20065107 
          0.97852299       0.74332168       0.06994855 
          0.12199663       0.68295110       0.96654476 
          0.93279220       0.84864073       0.64607398 
          0.07449545       0.73776542       0.50253661 
          0.68176692       0.26769424       0.79379106 
          0.49688846       0.39310169       0.84992543 
          0.41141691       0.43803698       0.45833750 
          0.59268104       0.31815012       0.40379870 
          0.97833848       0.42278321       0.72783348 
          0.45763861       0.07653003       0.00136330 
          0.75932864       0.21174322       0.55174530 
          0.61166732       0.70505541       0.53900266 
          0.53795194       0.02587306       0.99416420 
          0.33585569       0.50752031       0.68398014 
          0.88852109       0.19457560       0.73086334 
          0.69323310       0.17754884       0.34092075 
          0.51115150       0.77952000       0.72271844 
          0.64178849       0.66564942       0.32222539 
          0.56775082       0.04370654       0.77821250 
          0.56618658       0.98339222       0.20664753 
          0.33743890       0.51471038       0.90539101 
          0.26660457       0.55243777       0.47572296 
  
 
 
  
   
           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 
   
  
      7.96    7.96
      8.03    8.03
     71.02   71.01
    774.86  774.74
    777.34  777.20
    775.42  775.28