vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 06 26 
  23:54:47 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
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  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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       4740.99950739 
    
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          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
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       -1
       -1
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        0
        0
        0
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         1
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     T  
     T  
   
   
     T  
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      -100
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     F  
   
   
         0
         2
         1
   
   
         1
     F  
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         -1.00000000
     F  
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     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
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          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
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          1.60000000
          1.00000000
    
          4
      F  
        -45
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       70
       70
      126
      140
      140
      252
    F  
  
  
        0
       -1
        0
        2
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        -3.00000000
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         0.00010000
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        1
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        2
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        0
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      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  
        47.88000000     16.00000000     28.08500000     12.01100000      1.00000000     35.45300000
         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
        12.26120562
         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  
  
 
 
       232 
         6 
  
   ion
   element
   atomtype
   
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Si   3
    C    4
    C    4
    C    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    Cl   6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      72Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
     145O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
          13.83534000       0.00000000       0.00000000 
           0.00000000      13.83534000       0.00000000 
           0.00000000       0.00000000      24.76796000 
   
      4740.99950739 
   
           0.07227867       0.00000000       0.00000000 
           0.00000000       0.07227867       0.00000000 
           0.00000000       0.00000000       0.04037474 
   
  
  
          0.00371103       0.16413443       0.59178657 
          0.16919270       0.33155114       0.27400962 
          0.00415744       0.16261968       0.46121610 
          0.16919270       0.33155114       0.39279171 
          0.00252603       0.16488447       0.33340067 
          0.17101525       0.33097900       0.50850458 
          0.00252603       0.16488447       0.21461858 
          0.17230562       0.33108687       0.62418922 
          0.00893327       0.49147118       0.58824751 
          0.16919270       0.66488447       0.27400962 
          0.00260720       0.49859685       0.46031842 
          0.16919270       0.66488447       0.39279171 
          0.00252603       0.49821781       0.33340067 
          0.17197682       0.66203849       0.50860944 
          0.00252603       0.49821781       0.21461858 
          0.16904860       0.66439772       0.62425238 
          0.00093449       0.83021864       0.59183673 
          0.16919270       0.99821781       0.27400962 
          0.00395282       0.82804600       0.46160591 
          0.16919270       0.99821781       0.39279171 
          0.00252603       0.83155114       0.33340067 
          0.16960795       0.99644295       0.50837015 
          0.00252603       0.83155114       0.21461858 
          0.16914414       0.99721665       0.62438291 
          0.33554413       0.16478412       0.59079557 
          0.50252603       0.33155114       0.27400962 
          0.33541649       0.16540202       0.46034726 
          0.50252603       0.33155114       0.39279171 
          0.33585936       0.16488447       0.33340067 
          0.50556365       0.32908938       0.50852968 
          0.33585936       0.16488447       0.21461858 
          0.50346055       0.33168765       0.62415934 
          0.34011455       0.50203427       0.59164508 
          0.50252603       0.66488447       0.27400962 
          0.33962668       0.49642518       0.46152693 
          0.50252603       0.66488447       0.39279171 
          0.33585936       0.49821781       0.33340067 
          0.50251090       0.66096158       0.51275055 
          0.33585936       0.49821781       0.21461858 
          0.50620452       0.66724548       0.63425548 
          0.33207803       0.83378249       0.58804274 
          0.50252603       0.99821781       0.27400962 
          0.33787547       0.82908044       0.46053585 
          0.50252603       0.99821781       0.39279171 
          0.33585936       0.83155114       0.33340067 
          0.50080876       0.00024259       0.50834524 
          0.33585936       0.83155114       0.21461858 
          0.50059427       0.99950101       0.62431590 
          0.66960846       0.16469472       0.59098936 
          0.83585936       0.33155114       0.27400962 
          0.67220875       0.16217632       0.46125260 
          0.83585936       0.33155114       0.39279171 
          0.66919270       0.16488447       0.33340067 
          0.83865073       0.32889693       0.50840918 
          0.66919270       0.16488447       0.21461858 
          0.83696983       0.33045753       0.62449052 
          0.67436711       0.49565025       0.58877227 
          0.83585936       0.66488447       0.27400962 
          0.67133602       0.49758639       0.46089149 
          0.83585936       0.66488447       0.39279171 
          0.66919270       0.49821781       0.33340067 
          0.83698068       0.66370574       0.51121759 
          0.66919270       0.49821781       0.21461858 
          0.84235813       0.65821050       0.63063064 
          0.65895669       0.83724318       0.58536359 
          0.83585936       0.99821781       0.27400962 
          0.66990844       0.82623743       0.45994932 
          0.83585936       0.99821781       0.39279171 
          0.66919270       0.83155114       0.33340067 
          0.83769547       0.99432816       0.50847124 
          0.66919270       0.83155114       0.21461858 
          0.83574173       0.99784669       0.62417739 
          0.10372278       0.26367289       0.57550880 
          0.26322603       0.23751781       0.27400962 
          0.07515936       0.09225114       0.27400962 
          0.23680289       0.06484653       0.57517469 
          0.10399794       0.26513688       0.45523995 
          0.26322603       0.23751781       0.39279171 
          0.07515936       0.09225114       0.39279171 
          0.23496227       0.06444145       0.45501652 
          0.09655936       0.25891781       0.33340067 
          0.27087203       0.23021764       0.51585012 
          0.06891923       0.09849968       0.51583780 
          0.24182603       0.07085114       0.33340067 
          0.09655936       0.25891781       0.21461858 
          0.26606146       0.23463057       0.64014421 
          0.07441543       0.09357866       0.64042831 
          0.24182603       0.07085114       0.21461858 
          0.10464707       0.59572585       0.57461314 
          0.26322603       0.57085114       0.27400962 
          0.07515936       0.42558447       0.27400962 
          0.23779048       0.39822451       0.57504588 
          0.10349776       0.59805840       0.45479211 
          0.26322603       0.57085114       0.39279171 
          0.07515936       0.42558447       0.39279171 
          0.23590376       0.39719171       0.45505706 
          0.09655936       0.59225114       0.33340067 
          0.27151917       0.56364224       0.51579315 
          0.06897053       0.43196559       0.51543104 
          0.24182603       0.40418447       0.33340067 
          0.09655936       0.59225114       0.21461858 
          0.26430377       0.57039702       0.64035589 
          0.07676169       0.42368690       0.64015648 
          0.24182603       0.40418447       0.21461858 
          0.10224765       0.93051199       0.57496613 
          0.26322603       0.90418447       0.27400962 
          0.07515936       0.75891781       0.27400962 
          0.23265231       0.73229409       0.57400994 
          0.10286726       0.93190386       0.45497195 
          0.26322603       0.90418447       0.39279171 
          0.07515936       0.75891781       0.39279171 
          0.23550329       0.73036629       0.45489635 
          0.09655936       0.92558447       0.33340067 
          0.26987285       0.89726200       0.51430265 
          0.06794746       0.76374229       0.51547769 
          0.24182603       0.73751781       0.33340067 
          0.09655936       0.92558447       0.21461858 
          0.26236016       0.90451245       0.64039651 
          0.07431843       0.75939821       0.63999661 
          0.24182603       0.73751781       0.21461858 
          0.43571051       0.26342195       0.57549758 
          0.59655936       0.23751781       0.27400962 
          0.40849270       0.09225114       0.27400962 
          0.56892650       0.06585334       0.57532328 
          0.43640983       0.26509949       0.45487508 
          0.59655936       0.23751781       0.39279171 
          0.40849270       0.09225114       0.39279171 
          0.56912310       0.06349140       0.45499739 
          0.42989270       0.25891781       0.33340067 
          0.60400234       0.22913787       0.51541783 
          0.40205791       0.09926776       0.51512246 
          0.57515936       0.07085114       0.33340067 
          0.42989270       0.25891781       0.21461858 
          0.59817707       0.23510736       0.63976527 
          0.40679831       0.09383631       0.64021421 
          0.57515936       0.07085114       0.21461858 
          0.43585132       0.59750332       0.57861045 
          0.59655936       0.57085114       0.27400962 
          0.40849270       0.42558447       0.27400962 
          0.57122818       0.39442310       0.57400277 
          0.43754326       0.59880354       0.45630828 
          0.59655936       0.57085114       0.39279171 
          0.40849270       0.42558447       0.39279171 
          0.56916538       0.39708056       0.45506607 
          0.42989270       0.59225114       0.33340067 
          0.60460975       0.56347880       0.51572196 
          0.40325476       0.43185005       0.51581111 
          0.57515936       0.40418447       0.33340067 
          0.42989270       0.59225114       0.21461858 
          0.59927487       0.56196069       0.63286400 
          0.40827386       0.42540098       0.63999695 
          0.57515936       0.40418447       0.21461858 
          0.43436394       0.93395407       0.57454036 
          0.59655936       0.90418447       0.27400962 
          0.40849270       0.75891781       0.27400962 
          0.56962577       0.73283061       0.57852034 
          0.43712938       0.93204020       0.45513445 
          0.59655936       0.90418447       0.39279171 
          0.40849270       0.75891781       0.39279171 
          0.56814313       0.73002558       0.45672870 
          0.42989270       0.92558447       0.33340067 
          0.60406494       0.89631643       0.51664583 
          0.40169491       0.76545051       0.51540345 
          0.57515936       0.73751781       0.33340067 
          0.42989270       0.92558447       0.21461858 
          0.59710523       0.90489379       0.63871753 
          0.40020569       0.76154770       0.63238221 
          0.57515936       0.73751781       0.21461858 
          0.76954796       0.26312524       0.57512412 
          0.92989270       0.23751781       0.27400962 
          0.74182603       0.09225114       0.27400962 
          0.90377067       0.06525196       0.57560793 
          0.77062043       0.26466204       0.45492388 
          0.92989270       0.23751781       0.39279171 
          0.74182603       0.09225114       0.39279171 
          0.90245160       0.06344509       0.45514131 
          0.76322603       0.25891781       0.33340067 
          0.93755840       0.22987226       0.51542796 
          0.73560482       0.09809514       0.51572220 
          0.90849270       0.07085114       0.33340067 
          0.76322603       0.25891781       0.21461858 
          0.93240324       0.23469714       0.64034728 
          0.74044223       0.09293899       0.63975973 
          0.90849270       0.07085114       0.21461858 
          0.77231159       0.59731398       0.57797929 
          0.92989270       0.57085114       0.27400962 
          0.74182603       0.42558447       0.27400962 
          0.90473600       0.39557809       0.57447363 
          0.77052377       0.59946915       0.45608938 
          0.92989270       0.57085114       0.39279171 
          0.74182603       0.42558447       0.39279171 
          0.90266100       0.39696925       0.45489475 
          0.76322603       0.59225114       0.33340067 
          0.93730137       0.56373218       0.51481114 
          0.73671960       0.43164612       0.51478510 
          0.90849270       0.40418447       0.33340067 
          0.76322603       0.59225114       0.21461858 
          0.93808049       0.56412814       0.63479785 
          0.74386901       0.42293391       0.64024927 
          0.90849270       0.40418447       0.21461858 
          0.76952505       0.93229759       0.57451067 
          0.92989270       0.90418447       0.27400962 
          0.74182603       0.75891781       0.27400962 
          0.90289663       0.73170355       0.57875529 
          0.76978841       0.93127609       0.45506502 
          0.92989270       0.90418447       0.39279171 
          0.74182603       0.75891781       0.39279171 
          0.90121296       0.73034621       0.45600605 
          0.76322603       0.92558447       0.33340067 
          0.93701115       0.89593962       0.51627107 
          0.73461724       0.76528394       0.51567714 
          0.90849270       0.73751781       0.33340067 
          0.76322603       0.92558447       0.21461858 
          0.93208593       0.90432318       0.64016442 
          0.73962870       0.76529126       0.63782517 
          0.90849270       0.73751781       0.21461858 
          0.51963158       0.68347826       0.70673851 
          0.47026869       0.67533366       0.78422419 
          0.40617993       0.55817729       0.78266486 
          0.54848964       0.68295998       0.84033457 
          0.39130276       0.78048108       0.78458288 
          0.36470884       0.55093550       0.74768852 
          0.45365039       0.49647762       0.78346608 
          0.36007774       0.55317396       0.81581160 
          0.59859993       0.62509848       0.83837275 
          0.58558545       0.75201026       0.84201912 
          0.51041137       0.67694609       0.87587778 
          0.33797679       0.77372876       0.81468066 
          0.42988482       0.84826698       0.79228291 
          0.35629233       0.78554463       0.74680169 
          0.68273572       0.74244943       0.68517143 
          0.78471811       0.65524229       0.74655906 
  
  
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
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