MD JobServer / TaskServer



 
  vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 05 14 
  00:13:19 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     240
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.41000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            4.73727000       0.00000000       0.00000000 
            0.00000000       4.73727000       0.00000000 
            0.00000000       0.00000000      18.37276000 
    
        412.31646513 
    
            0.21109204       0.00000000       0.00000000 
            0.00000000       0.21109204       0.00000000 
            0.00000000       0.00000000       0.05442840 
    
   
   
           0.66671296       0.26420073       0.37667116 
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           0.31477075       0.42074608       0.26694074 
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           0.00942187       0.29242283       0.15663168 
           0.85358475       0.15765176       0.71609252 
   
  
  
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          3        3        1 
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          0.11111111 
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   No title
    F  
  
  
   normal
       400.00000000
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         0.00001000
       38
       10
      102
       -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
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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     F  
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     F  
   
   
     F  
     F  
   
   
       240
        -5
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      T  
      F  
           0.00000000
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          4
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          0.40000000
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          4
      F  
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          5
    
   
   
     F  
     F  
         0
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       24
       24
       90
       48
       48
      180
    F  
  
  
        0
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        1
      256
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        2
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        0
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      301
        10.00000000
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        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        6
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
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         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
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        0
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    F  
    F  
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    F  
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    T  
    F  
    F  
    F  
    T  
        0
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    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
      240
        1
        3
        4
        0
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    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  
  
 
 
        22 
         3 
  
   ion
   element
   atomtype
   
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   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
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           4.73727000       0.00000000       0.00000000 
           0.00000000       4.73727000       0.00000000 
           0.00000000       0.00000000      18.37276000 
   
       412.31646513 
   
           0.21109204       0.00000000       0.00000000 
           0.00000000       0.21109204       0.00000000 
           0.00000000       0.00000000       0.05442840 
   
  
  
          0.66671296       0.26420073       0.37667116 
          0.95719169       0.83512609       0.92871944 
          0.38650616       0.23009174       0.59588828 
          0.76595413       0.31177684       0.83856201 
          0.01015715       0.16125240       0.59357879 
          0.80321241       0.61662417       0.88068737 
          0.16268387       0.29389741       0.04673639 
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          0.52137208       0.48298592       0.45791341 
          0.31477075       0.42074608       0.26694074 
          0.07498540       0.02358197       0.68560140 
          0.28569120       0.75038046       0.19776858 
          0.36448837       0.80002754       0.91211093 
          0.22616809       0.87528772       0.64456961 
          0.27352948       0.44341724       0.41832266 
          0.56787314       0.54832899       0.80174250 
          0.87406703       0.17445845       0.96921078 
          0.80404133       0.33872496       0.72273111 
          0.10275380       0.17676750       0.10848940 
          0.55754580       0.24711787       0.03692796 
          0.00942187       0.29242283       0.15663168 
          0.85358475       0.15765176       0.71609252 
  
 
 
  
       2.76    3.07
       2.80    3.12
   
        333.57168661 
      -1019.35259809 
     -14917.12075362 
        748.64072905 
      14269.25296877 
     -14517.83836857 
          0.00746264 
        160.32633219 
      17435.26881048 
       2492.75626946 
       2492.74880682 
       2492.75378191 
   
  
  
       2.64    2.93
       2.64    2.93
   
        482.22718132 
        482.21659335 
        482.22365199 
   
  
  
       2.66    2.87
       2.67    2.87
   
         35.72722261 
         35.73081956 
         35.72842160