vasp 
  6.3.2  
  27Jun22 (build Jan 12 2023 12:08:26) complex                          parallel 
  Lin64 
  2023 05 07 
  00:21:11 
 
 
  (SiO2)2  single point Gauissan smear
       1
  Normal
  Damped
   F  
       1
       0
       1
      60
       2
      -1
        0.00001000
       0
       0
      400.00000000
      60
    3000
        1.11000000      0.73000000
   F  
        0.40000000
       0
        0.05000000
       1
   F  
   F  
      10
   T  
   F  
        0.10000000
        0.20000000
   T  
       1
       2
       2
       2
       4
  Normal
 
 
  
   
    
            4.17380000       0.00000000       0.00000000 
            0.00000000       4.17380000       0.00000000 
            0.00000000       0.00000000       2.66630000 
    
         46.44856295 
    
            0.23958982       0.00000000       0.00000000 
            0.00000000       0.23958982       0.00000000 
            0.00000000       0.00000000       0.37505157 
    
   
   
           0.00000000       0.00000000       0.00000000 
           0.50000000       0.50000000       0.50000000 
           0.30670000       0.30670000       0.00000000 
           0.80670000       0.19330000       0.50000000 
           0.19330000       0.80670000       0.50000000 
           0.69330000       0.69330000       0.00000000 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
  
 
 
  
          8        8       10 
         0.00000000       0.00000000       0.00000000 
         0.12500000       0.00000000       0.00000000 
         0.00000000       0.12500000       0.00000000 
         0.00000000       0.00000000       0.10000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.12500000       0.00000000       0.00000000 
          0.25000000       0.00000000       0.00000000 
          0.37500000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.12500000       0.12500000       0.00000000 
          0.25000000       0.12500000       0.00000000 
          0.37500000       0.12500000       0.00000000 
          0.50000000       0.12500000       0.00000000 
          0.25000000       0.25000000       0.00000000 
          0.37500000       0.25000000       0.00000000 
          0.50000000       0.25000000       0.00000000 
          0.37500000       0.37500000       0.00000000 
          0.50000000       0.37500000       0.00000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.10000000 
          0.12500000       0.00000000       0.10000000 
          0.25000000       0.00000000       0.10000000 
          0.37500000       0.00000000       0.10000000 
          0.50000000       0.00000000       0.10000000 
          0.12500000       0.12500000       0.10000000 
          0.25000000       0.12500000       0.10000000 
          0.37500000       0.12500000       0.10000000 
          0.50000000       0.12500000       0.10000000 
          0.25000000       0.25000000       0.10000000 
          0.37500000       0.25000000       0.10000000 
          0.50000000       0.25000000       0.10000000 
          0.37500000       0.37500000       0.10000000 
          0.50000000       0.37500000       0.10000000 
          0.50000000       0.50000000       0.10000000 
          0.00000000       0.00000000       0.20000000 
          0.12500000       0.00000000       0.20000000 
          0.25000000       0.00000000       0.20000000 
          0.37500000       0.00000000       0.20000000 
          0.50000000       0.00000000       0.20000000 
          0.12500000       0.12500000       0.20000000 
          0.25000000       0.12500000       0.20000000 
          0.37500000       0.12500000       0.20000000 
          0.50000000       0.12500000       0.20000000 
          0.25000000       0.25000000       0.20000000 
          0.37500000       0.25000000       0.20000000 
          0.50000000       0.25000000       0.20000000 
          0.37500000       0.37500000       0.20000000 
          0.50000000       0.37500000       0.20000000 
          0.50000000       0.50000000       0.20000000 
          0.00000000       0.00000000       0.30000000 
          0.12500000       0.00000000       0.30000000 
          0.25000000       0.00000000       0.30000000 
          0.37500000       0.00000000       0.30000000 
          0.50000000       0.00000000       0.30000000 
          0.12500000       0.12500000       0.30000000 
          0.25000000       0.12500000       0.30000000 
          0.37500000       0.12500000       0.30000000 
          0.50000000       0.12500000       0.30000000 
          0.25000000       0.25000000       0.30000000 
          0.37500000       0.25000000       0.30000000 
          0.50000000       0.25000000       0.30000000 
          0.37500000       0.37500000       0.30000000 
          0.50000000       0.37500000       0.30000000 
          0.50000000       0.50000000       0.30000000 
          0.00000000       0.00000000       0.40000000 
          0.12500000       0.00000000       0.40000000 
          0.25000000       0.00000000       0.40000000 
          0.37500000       0.00000000       0.40000000 
          0.50000000       0.00000000       0.40000000 
          0.12500000       0.12500000       0.40000000 
          0.25000000       0.12500000       0.40000000 
          0.37500000       0.12500000       0.40000000 
          0.50000000       0.12500000       0.40000000 
          0.25000000       0.25000000       0.40000000 
          0.37500000       0.25000000       0.40000000 
          0.50000000       0.25000000       0.40000000 
          0.37500000       0.37500000       0.40000000 
          0.50000000       0.37500000       0.40000000 
          0.50000000       0.50000000       0.40000000 
          0.00000000       0.00000000       0.50000000 
          0.12500000       0.00000000       0.50000000 
          0.25000000       0.00000000       0.50000000 
          0.37500000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.12500000       0.12500000       0.50000000 
          0.25000000       0.12500000       0.50000000 
          0.37500000       0.12500000       0.50000000 
          0.50000000       0.12500000       0.50000000 
          0.25000000       0.25000000       0.50000000 
          0.37500000       0.25000000       0.50000000 
          0.50000000       0.25000000       0.50000000 
          0.37500000       0.37500000       0.50000000 
          0.50000000       0.37500000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.00156250 
          0.00625000 
          0.00625000 
          0.00625000 
          0.00312500 
          0.00625000 
          0.01250000 
          0.01250000 
          0.00625000 
          0.00625000 
          0.01250000 
          0.00625000 
          0.00625000 
          0.00625000 
          0.00156250 
          0.00312500 
          0.01250000 
          0.01250000 
          0.01250000 
          0.00625000 
          0.01250000 
          0.02500000 
          0.02500000 
          0.01250000 
          0.01250000 
          0.02500000 
          0.01250000 
          0.01250000 
          0.01250000 
          0.00312500 
          0.00312500 
          0.01250000 
          0.01250000 
          0.01250000 
          0.00625000 
          0.01250000 
          0.02500000 
          0.02500000 
          0.01250000 
          0.01250000 
          0.02500000 
          0.01250000 
          0.01250000 
          0.01250000 
          0.00312500 
          0.00312500 
          0.01250000 
          0.01250000 
          0.01250000 
          0.00625000 
          0.01250000 
          0.02500000 
          0.02500000 
          0.01250000 
          0.01250000 
          0.02500000 
          0.01250000 
          0.01250000 
          0.01250000 
          0.00312500 
          0.00312500 
          0.01250000 
          0.01250000 
          0.01250000 
          0.00625000 
          0.01250000 
          0.02500000 
          0.02500000 
          0.01250000 
          0.01250000 
          0.02500000 
          0.01250000 
          0.01250000 
          0.01250000 
          0.00312500 
          0.00156250 
          0.00625000 
          0.00625000 
          0.00625000 
          0.00312500 
          0.00625000 
          0.01250000 
          0.01250000 
          0.00625000 
          0.00625000 
          0.01250000 
          0.00625000 
          0.00625000 
          0.00625000 
          0.00156250 
  
 
 
  
   (SiO2)2  single point Gauissan smear
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       53
       10
       60
       -1
       -1
        32.00000000
        0
        0
        0
        0
         0.00000000
   
         0
          0.05000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000
      -100
         2
     F  
   
   
         1
         0
         1
   
   
         1
     F  
          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
           0.00000004
           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
   
  
  
       20
       20
       14
       40
       40
       28
    F  
  
  
        0
       -1
        0
        0
         0.00000000
         0.00010000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        10.00000000
  
  
        3
         0.00001000
  
  
       10
         1.11000000      0.73000000
     3000
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    T  
         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  
        28.08500000     16.00000000
         0.00000000      0.00000000
         1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    T  
   normal
    F  
    F  
    F  
    F  
    F  
    T  
        -1.00000000
        0
        0
         0.25000000
        -1.00000000
         0.00000000
         0.75000000
         0.75000000
         1.00000000
         1.00000000
        2
        2
        2
    F  
    F  
    F  
        4
        1
    F  
         0.20000000
         0.20000000
        1
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
         4.64485630
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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
        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
  
  
        1
    F  
  
  
    F  
  
 
 
         6 
         2 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           4.17380000       0.00000000       0.00000000 
           0.00000000       4.17380000       0.00000000 
           0.00000000       0.00000000       2.66630000 
   
        46.44856295 
   
           0.23958982       0.00000000       0.00000000 
           0.00000000       0.23958982       0.00000000 
           0.00000000       0.00000000       0.37505157 
   
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.50000000       0.50000000 
          0.30670000       0.30670000       0.00000000 
          0.80670000       0.19330000       0.50000000 
          0.19330000       0.80670000       0.50000000 
          0.69330000       0.69330000       0.00000000