vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 22:14:57) gamma-only                       parallel 
  Lin64 
  2025 09 03 
  02:09:00 
 
 
  Response_PMDAODA_CPU
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      0.75000000      0.73000000      0.32000000
   F  
       1
        0.20000000
       1
   F  
   F  
   F  
       1
 
 
  
   
    
           40.00000000       0.00000000       0.00000000 
            0.00000000      40.00000000       0.00000000 
            0.00000000       0.00000000      40.00000000 
    
      64000.00000000 
    
            0.02500000       0.00000000       0.00000000 
            0.00000000       0.02500000       0.00000000 
            0.00000000       0.00000000       0.02500000 
    
   
   
           0.48280441       0.13779589       0.00469822 
           0.51163898       0.16101011       0.00997719 
           0.53641490       0.14398005       0.02813354 
           0.52392799       0.10942676       0.03539626 
           0.56675783       0.15884118       0.03674559 
           0.57059791       0.19181084       0.02614285 
           0.54568561       0.20885208       0.00833384 
           0.51542118       0.19402766       0.99957265 
           0.55781602       0.24339805       0.00123148 
           0.59960438       0.21491073       0.03082643 
           0.61046103       0.27469344       0.01407048 
           0.59921098       0.30432555       0.02889671 
           0.61842157       0.33320105       0.02684131 
           0.64897926       0.33258268       0.00974004 
           0.66041580       0.30297648       0.99499353 
           0.64104834       0.27407259       0.99728661 
           0.69256585       0.36591384       0.98604454 
           0.68540532       0.37866531       0.95436270 
           0.71159760       0.38437729       0.93199965 
           0.74452137       0.37725869       0.94125504 
           0.75129650       0.36450465       0.97306181 
           0.72530717       0.35881797       0.99572025 
           0.49220834       0.10798771       0.02053216 
           0.59015199       0.24538291       0.01550109 
           0.66647054       0.36228004       0.00900651 
           0.45653032       0.14278660       0.98997237 
           0.53746760       0.08682773       0.05081517 
           0.54351020       0.26579891       0.98624723 
           0.62615483       0.20934509       0.04480217 
           0.58611338       0.14560925       0.05068287 
           0.49612120       0.20726105       0.98556092 
           0.57521263       0.30479854       0.04184475 
           0.60999258       0.35656928       0.03809839 
           0.68419825       0.30250128       0.98169701 
           0.64979869       0.25092017       0.98585713 
           0.65954752       0.38423129       0.94769468 
           0.70619445       0.39458725       0.90726764 
           0.77699999       0.35900932       0.98040545 
           0.73013485       0.34908984       0.02073893 
           0.47741893       0.08729451       0.02127670 
           0.76493231       0.38178451       0.92371297 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   Response_PMDAODA_CPU
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       93
       -1
       -1
       140.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000      0.00000000
      -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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
      196
      196
      196
      392
      392
      392
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         0.77000000      0.75000000      0.73000000      0.32000000
      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  
        12.01100000     14.00100000     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    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  
        1
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
       936.58536585
         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  
       -1
       -1
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -1.60000002
        -1.60000002
        -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  
  
 
 
        41 
         4 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    N    2
    N    2
    O    3
    O    3
    O    3
    O    3
    O    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      22C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       5O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          40.00000000       0.00000000       0.00000000 
           0.00000000      40.00000000       0.00000000 
           0.00000000       0.00000000      40.00000000 
   
     64000.00000000 
   
           0.02500000       0.00000000       0.00000000 
           0.00000000       0.02500000       0.00000000 
           0.00000000       0.00000000       0.02500000 
   
  
  
          0.48280441       0.13779589       0.00469822 
          0.51163898       0.16101011       0.00997719 
          0.53641490       0.14398005       0.02813354 
          0.52392799       0.10942676       0.03539626 
          0.56675783       0.15884118       0.03674559 
          0.57059791       0.19181084       0.02614285 
          0.54568561       0.20885208       0.00833384 
          0.51542118       0.19402766       0.99957265 
          0.55781602       0.24339805       0.00123148 
          0.59960438       0.21491073       0.03082643 
          0.61046103       0.27469344       0.01407048 
          0.59921098       0.30432555       0.02889671 
          0.61842157       0.33320105       0.02684131 
          0.64897926       0.33258268       0.00974004 
          0.66041580       0.30297648       0.99499353 
          0.64104834       0.27407259       0.99728661 
          0.69256585       0.36591384       0.98604454 
          0.68540532       0.37866531       0.95436270 
          0.71159760       0.38437729       0.93199965 
          0.74452137       0.37725869       0.94125504 
          0.75129650       0.36450465       0.97306181 
          0.72530717       0.35881797       0.99572025 
          0.49220834       0.10798771       0.02053216 
          0.59015199       0.24538291       0.01550109 
          0.66647054       0.36228004       0.00900651 
          0.45653032       0.14278660       0.98997237 
          0.53746760       0.08682773       0.05081517 
          0.54351020       0.26579891       0.98624723 
          0.62615483       0.20934509       0.04480217 
          0.58611338       0.14560925       0.05068287 
          0.49612120       0.20726105       0.98556092 
          0.57521263       0.30479854       0.04184475 
          0.60999258       0.35656928       0.03809839 
          0.68419825       0.30250128       0.98169701 
          0.64979869       0.25092017       0.98585713 
          0.65954752       0.38423129       0.94769468 
          0.70619445       0.39458725       0.90726764 
          0.77699999       0.35900932       0.98040545 
          0.73013485       0.34908984       0.02073893 
          0.47741893       0.08729451       0.02127670 
          0.76493231       0.38178451       0.92371297