JobServer Home Summary Jobs Administration Documentation http://amd-9 -- v3.8.1  2024-09-29 12:18:45 


 
  vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 09 27 
  16:14:32 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      242.67600000
        1.30000000      1.41000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
           9.39666000       0.00000000       0.00000000 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
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          0.91580542       0.91751642       0.36363994 
          0.95365326       0.18802265       0.42010285 
  
 
 
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          2        2        1 
         0.00000000       0.00000000       0.00000000 
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          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       242.67600000
       446.01400000
         0.00001000
       38
       10
      916
       -1
       -1
      1526.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
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      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
        -5
         2
        242.67600000
    
      T  
      F  
           0.00000000
           0.00000000
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
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          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       36
       36
      112
       72
       72
      224
    F  
  
  
        0
       -1
        0
        2
         0.00000000
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         0.50000000
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         0.00010000
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        1
        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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        95.94000000    118.71000000
         0.00000000      0.00000000
         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
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        1
        1
        1
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        0
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    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        13.99468800
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
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    F  
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    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
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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  
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        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
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        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       109 
         2 
  
   ion
   element
   atomtype
   
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Sn   2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     108Mo     95.94000000     14.00000000  PAW_PBE Mo_sv 02Feb2006               
       1Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
   
  
 
 
  
   
           9.39666000       0.00000000       0.00000000 
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      2542.36832031 
   
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          0.26308479       0.89837300       0.01107188 
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          0.41580542       0.41751642       0.41803136 
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          0.20443704       0.23450671       0.71943344 
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          0.58247208       0.58418308       0.68998843 
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          0.91580542       0.58418308       0.68998843 
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          0.91580542       0.91751642       0.47242277 
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          0.91580542       0.91751642       0.25485648 
          0.74913875       0.75084975       0.30924853 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
   
   
   
       8581.08344698 
     426677.00505336 
    -602621.13788100 
       7373.83571235 
     163333.52382866 
    -161374.45513553 
         -0.02579803 
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      30838.50829561 
      30838.53409363 
      30838.51689495
JobServer Home Summary Jobs Administration Documentation http://amd-9 -- v3.8.1  2024-09-29 12:18:45