JobServer Home Summary Jobs Administration Documentation http://amd-9 -- v3.8.1  2024-11-17 06:16:26 


 
  vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 09 27 
  14:17:34 
 
 
   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 
           0.00000000       0.10642079       0.00000000 
           0.00000000       0.00000000       0.03473030 
   
  
  
          0.08304625       0.08361658       0.20071629 
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          0.74971292       0.75028325       0.30950288 
          0.91637959       0.91694992       0.69024278 
          0.74971292       0.75028325       0.63585137 
          0.91637959       0.91694992       0.36389429 
          0.53292788       0.63220579       0.55717930 
  
 
 
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        109 
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.00000000       0.50000000       0.00000000 
          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  
          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  
   
   
     F  
     F  
   
   
        60
        -5
         2
        242.67600000
    
      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
   
  
  
       36
       36
      112
       72
       72
      224
    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
         1.30000000      1.41000000
      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
         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
        13.99468800
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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         0.00200000
        -0.10000000
         0.00000000
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    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
         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 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
           0.00000000       0.10642079       0.00000000 
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          0.08304625       0.41694992       0.63585137 
          0.24971292       0.58361658       0.36389429 
          0.08304625       0.75028325       0.20071629 
          0.33319873       0.83427494       0.72300993 
          0.08304625       0.75028325       0.52706854 
          0.24971292       0.91694992       0.47267712 
          0.08304625       0.75028325       0.41828571 
          0.24971292       0.91694992       0.58145995 
          0.29076613       0.76089355       0.74103367 
          0.24971292       0.91694992       0.25511083 
          0.08304625       0.75028325       0.30950288 
          0.24971292       0.91694992       0.69024278 
          0.08304625       0.75028325       0.63585137 
          0.24971292       0.91694992       0.36389429 
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          0.58304625       0.25028325       0.47267712 
          0.41637959       0.08361658       0.41828571 
          0.58304625       0.25028325       0.58145995 
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          0.58304625       0.25028325       0.25511083 
          0.41637959       0.08361658       0.30950288 
          0.58304625       0.25028325       0.69024278 
          0.41637959       0.08361658       0.63585137 
          0.58304625       0.25028325       0.36389429 
          0.41637959       0.41694992       0.20071629 
          0.34928856       0.81638621       0.70049018 
          0.41637959       0.41694992       0.52706854 
          0.58304625       0.58361658       0.47267712 
          0.41637959       0.41694992       0.41828571 
          0.58304625       0.58361658       0.58145995 
          0.47166730       0.36861115       0.72958205 
          0.58304625       0.58361658       0.25511083 
          0.41637959       0.41694992       0.30950288 
          0.58304625       0.58361658       0.69024278 
          0.41637959       0.41694992       0.63585137 
          0.58304625       0.58361658       0.36389429 
          0.41637959       0.75028325       0.20071629 
          0.55927291       0.83045944       0.79690042 
          0.41637959       0.75028325       0.52706854 
          0.58304625       0.91694992       0.47267712 
          0.41637959       0.75028325       0.41828571 
          0.58304625       0.91694992       0.58145995 
          0.97578187       0.17919592       0.92575507 
          0.58304625       0.91694992       0.25511083 
          0.41637959       0.75028325       0.30950288 
          0.58304625       0.91694992       0.69024278 
          0.41637959       0.75028325       0.63585137 
          0.58304625       0.91694992       0.36389429 
          0.74971292       0.08361658       0.20071629 
          0.83916847       0.32729553       0.79766317 
          0.74971292       0.08361658       0.52706854 
          0.91637959       0.25028325       0.47267712 
          0.74971292       0.08361658       0.41828571 
          0.91637959       0.25028325       0.58145995 
          0.72034874       0.07495252       0.76107279 
          0.91637959       0.25028325       0.25511083 
          0.74971292       0.08361658       0.30950288 
          0.91637959       0.25028325       0.69024278 
          0.74971292       0.08361658       0.63585137 
          0.91637959       0.25028325       0.36389429 
          0.74971292       0.41694992       0.20071629 
          0.93286231       0.66799971       0.81435775 
          0.74971292       0.41694992       0.52706854 
          0.91637959       0.58361658       0.47267712 
          0.74971292       0.41694992       0.41828571 
          0.91637959       0.58361658       0.58145995 
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          0.91637959       0.58361658       0.25511083 
          0.74971292       0.41694992       0.30950288 
          0.91637959       0.58361658       0.69024278 
          0.74971292       0.41694992       0.63585137 
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          0.74971292       0.75028325       0.20071629 
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          0.74971292       0.75028325       0.52706854 
          0.91637959       0.91694992       0.47267712 
          0.74971292       0.75028325       0.41828571 
          0.91637959       0.91694992       0.58145995 
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          0.91637959       0.91694992       0.25511083 
          0.74971292       0.75028325       0.30950288 
          0.91637959       0.91694992       0.69024278 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
   
   
   
       8581.08344698 
     517295.51398438 
    -708033.40807534 
       7333.08833194 
     163333.52382866 
    -161374.45513553 
         -0.02143938 
     -14397.36570028 
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      15743.34780498 
      15743.36924436 
      15743.35495144
JobServer Home Summary Jobs Administration Documentation http://amd-9 -- v3.8.1  2024-11-17 06:16:26