Vorschau

VASP_convergence
- .DS_Store
  
  6.1 kB
- 2DCu_PBEsol
  - .DS_Store
    
    6.1 kB
  - encut
    - .DS_Store
      
      6.1 kB
    - 1000
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        6.4 MB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        622 Bytes
      - OUTCAR
        
        186.6 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        11.5 MB
    - 500
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        3.8 kB
      - OUTCAR
        
        239.3 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        119.6 kB
    - 600
      - .DS_Store
        
        6.1 kB
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        6.4 MB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        715 Bytes
      - OUTCAR
        
        188.5 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        11.5 MB
    - 700
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        6.4 MB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        808 Bytes
      - OUTCAR
        
        190.4 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        11.5 MB
    - 800
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        6.4 MB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        715 Bytes
      - OUTCAR
        
        188.5 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        11.5 MB
    - 850
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        6.4 MB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        622 Bytes
      - OUTCAR
        
        186.6 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        11.5 MB
    - 900
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        6.4 MB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        622 Bytes
      - OUTCAR
        
        186.6 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        11.5 MB
  - kpoints
    - .DS_Store
      
      6.1 kB
    - 211
      - .DS_Store
        
        6.1 kB
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        6.4 MB
      - EIGENVAL
        
        33.1 kB
      - IBZKPT
        
        207 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        529 Bytes
      - OUTCAR
        
        202.5 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        15.8 MB
    - 222
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        6.4 MB
      - EIGENVAL
        
        131.8 kB
      - IBZKPT
        
        657 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        1.6 kB
      - OUTCAR
        
        333.0 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        41.6 MB
    - 333
      - CONTCAR
        
        10.6 kB
      - DOSCAR
        
        6.4 MB
      - EIGENVAL
        
        164.7 kB
      - IBZKPT
        
        807 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        1.7 kB
      - OUTCAR
        
        370.7 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        50.2 MB
- 2DVO_PBEsol
  - .DS_Store
    
    6.1 kB
  - encut
    - .DS_Store
      
      10.2 kB
    - 500
      - .DS_Store
        
        6.1 kB
      - CONTCAR
        
        10.7 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        14.3 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        808 Bytes
      - OUTCAR
        
        173.7 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - REPORT
        
        0 Bytes
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        108.3 kB
    - 600
      - .DS_Store
        
        8.2 kB
      - CONTCAR
        
        10.7 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        14.3 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        2.0 kB
      - OUTCAR
        
        199.5 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - REPORT
        
        0 Bytes
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        112.0 kB
    - 700
      - .DS_Store
        
        8.2 kB
      - CONTCAR
        
        10.7 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        808 Bytes
      - OUTCAR
        
        173.6 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - REPORT
        
        0 Bytes
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        110.9 kB
    - 800
      - CONTCAR
        
        10.7 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        14.3 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        994 Bytes
      - OUTCAR
        
        177.6 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - REPORT
        
        0 Bytes
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        108.9 kB
    - 850
      - CONTCAR
        
        10.7 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        808 Bytes
      - OUTCAR
        
        173.6 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - REPORT
        
        0 Bytes
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        110.9 kB
    - 900
      - CONTCAR
        
        10.7 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        16.6 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        808 Bytes
      - OUTCAR
        
        173.2 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - REPORT
        
        0 Bytes
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        110.9 kB
  - kpoints
    - .DS_Store
      
      6.1 kB
    - 211
      - CONTCAR
        
        10.7 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        28.5 kB
      - IBZKPT
        
        207 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        1.8 kB
      - OUTCAR
        
        210.8 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        127.4 kB
    - 222
      - CONTCAR
        
        10.7 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        113.3 kB
      - IBZKPT
        
        657 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        1.7 kB
      - OUTCAR
        
        301.2 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        5.6 kB
      - POTCAR
        
        1.2 MB
      - XDATCAR
        
        3.8 kB
      - vasprun.xml
        
        223.3 kB
- CuTPP_PBEsol
  - .DS_Store
    
    6.1 kB
  - encut
    - .DS_Store
      
      10.2 kB
    - 400
      - .DS_Store
        
        6.1 kB
      - CONTCAR
        
        17.3 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        20.5 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        3.5 kB
      - OUTCAR
        
        249.6 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        789.6 kB
      - XDATCAR
        
        6.1 kB
      - vasprun.xml
        
        147.9 kB
    - 600
      - CONTCAR
        
        17.3 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        20.5 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        994 Bytes
      - OUTCAR
        
        200.3 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        789.6 kB
      - XDATCAR
        
        6.1 kB
      - vasprun.xml
        
        140.4 kB
    - 700
      - CONTCAR
        
        17.3 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        20.5 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        808 Bytes
      - OUTCAR
        
        196.4 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        789.6 kB
      - XDATCAR
        
        6.1 kB
      - vasprun.xml
        
        139.8 kB
    - 800
      - CONTCAR
        
        17.3 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        20.5 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        901 Bytes
      - OUTCAR
        
        198.4 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        789.6 kB
      - XDATCAR
        
        6.1 kB
      - vasprun.xml
        
        140.1 kB
    - 850
      - CONTCAR
        
        17.3 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        20.5 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        715 Bytes
      - OUTCAR
        
        194.5 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        789.6 kB
      - XDATCAR
        
        6.1 kB
      - vasprun.xml
        
        139.5 kB
    - 900
      - CONTCAR
        
        17.3 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        20.5 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        715 Bytes
      - OUTCAR
        
        194.5 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        789.6 kB
      - XDATCAR
        
        6.1 kB
      - vasprun.xml
        
        139.5 kB
  - kpoints
    - .DS_Store
      
      6.1 kB
    - 222
      - CONTCAR
        
        17.3 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        81.3 kB
      - IBZKPT
        
        357 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        1.4 kB
      - OUTCAR
        
        273.9 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        789.6 kB
      - XDATCAR
        
        6.1 kB
      - vasprun.xml
        
        210.3 kB
    - 333
      - CONTCAR
        
        17.3 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        121.9 kB
      - IBZKPT
        
        507 Bytes
      - INCAR
        
        1.2 kB
      - KPOINTS
        
        19 Bytes
      - OSZICAR
        
        1.4 kB
      - OUTCAR
        
        317.8 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        789.6 kB
      - XDATCAR
        
        6.1 kB
      - vasprun.xml
        
        256.1 kB
- VOTPP_PBEsol
  - .DS_Store
    
    6.1 kB
  - encut
    - .DS_Store
      
      6.1 kB
    - 500
      - .DS_Store
        
        6.1 kB
      - CONTCAR
        
        8.9 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        10.8 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        998 Bytes
      - KPOINTS
        
        95 Bytes
      - OSZICAR
        
        3.0 kB
      - OUTCAR
        
        205.1 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        1.0 MB
      - XDATCAR
        
        3.2 kB
      - vasprun.xml
        
        104.0 kB
    - 600
      - CONTCAR
        
        8.9 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        10.8 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        998 Bytes
      - KPOINTS
        
        95 Bytes
      - OSZICAR
        
        3.1 kB
      - OUTCAR
        
        207.2 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        1.0 MB
      - XDATCAR
        
        3.2 kB
      - vasprun.xml
        
        104.3 kB
    - 700
      - CONTCAR
        
        8.9 kB
      - DOSCAR
        
        5.4 MB
      - EIGENVAL
        
        10.8 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.0 kB
      - KPOINTS
        
        95 Bytes
      - OSZICAR
        
        3.0 kB
      - OUTCAR
        
        219.6 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        1.0 MB
      - XDATCAR
        
        3.2 kB
      - vasprun.xml
        
        8.4 MB
    - 800
      - CONTCAR
        
        8.9 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        10.8 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        998 Bytes
      - KPOINTS
        
        95 Bytes
      - OSZICAR
        
        1.1 kB
      - OUTCAR
        
        165.3 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        1.0 MB
      - XDATCAR
        
        3.2 kB
      - vasprun.xml
        
        98.2 kB
    - 850
      - CONTCAR
        
        8.9 kB
      - DOSCAR
        
        5.4 MB
      - EIGENVAL
        
        10.8 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.0 kB
      - KPOINTS
        
        95 Bytes
      - OSZICAR
        
        622 Bytes
      - OUTCAR
        
        170.1 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        1.0 MB
      - XDATCAR
        
        3.2 kB
      - vasprun.xml
        
        8.4 MB
    - 900
      - CONTCAR
        
        8.9 kB
      - DOSCAR
        
        5.4 MB
      - EIGENVAL
        
        10.8 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        1.0 kB
      - KPOINTS
        
        95 Bytes
      - OSZICAR
        
        715 Bytes
      - OUTCAR
        
        172.0 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        1.0 MB
      - XDATCAR
        
        3.2 kB
      - vasprun.xml
        
        8.4 MB
  - kpoints
    - .DS_Store
      
      6.1 kB
    - 222
      - CONTCAR
        
        8.9 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        42.4 kB
      - IBZKPT
        
        357 Bytes
      - INCAR
        
        998 Bytes
      - KPOINTS
        
        95 Bytes
      - OSZICAR
        
        1.4 kB
      - OUTCAR
        
        205.9 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        1.0 MB
      - XDATCAR
        
        3.2 kB
      - vasprun.xml
        
        135.0 kB
    - 333
      - CONTCAR
        
        8.9 kB
      - DOSCAR
        
        18.3 kB
      - EIGENVAL
        
        63.5 kB
      - IBZKPT
        
        507 Bytes
      - INCAR
        
        998 Bytes
      - KPOINTS
        
        95 Bytes
      - OSZICAR
        
        1.3 kB
      - OUTCAR
        
        227.1 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        9.0 kB
      - POTCAR
        
        1.0 MB
      - XDATCAR
        
        3.2 kB
      - vasprun.xml
        
        158.7 kB
__MACOSX
- ._VASP_convergence
  
  220 Bytes
- VASP_convergence
  - ._.DS_Store
    
    120 Bytes
  - 2DCu_PBEsol
    - ._.DS_Store
      
      120 Bytes
    - encut
      - ._.DS_Store
        
        120 Bytes
    - kpoints
      - ._.DS_Store
        
        120 Bytes
  - 2DVO_PBEsol
    - ._.DS_Store
      
      120 Bytes
    - encut
      - ._.DS_Store
        
        120 Bytes
      - 500
        
        ._.DS_Store
        
        120 Bytes
      - 600
        
        ._.DS_Store
        
        120 Bytes
      - 700
        
        ._.DS_Store
        
        120 Bytes
    - kpoints
      - ._.DS_Store
        
        120 Bytes
  - CuTPP_PBEsol
    - ._.DS_Store
      
      120 Bytes
    - encut
      - ._.DS_Store
        
        120 Bytes
      - 400
        
        ._.DS_Store
        
        120 Bytes
    - kpoints
      - ._.DS_Store
        
        120 Bytes
  - VOTPP_PBEsol
    - ._.DS_Store
      
      120 Bytes
    - encut
      - ._.DS_Store
        
        120 Bytes
      - 500
        
        ._.DS_Store
        
        120 Bytes
        
        ._INCAR
        
        176 Bytes
        
        ._POSCAR
        
        176 Bytes
    - kpoints
      - ._.DS_Store
        
        120 Bytes
      - 333
        
        ._INCAR
        
        176 Bytes

VASP_convergence.zip