Preview

HKUST-1_VASP_Phonons
- AFM
  - BornEffectiveCharges
    - DYNMAT
      
      49 Bytes
    - INCAR
      
      1.2 kB
    - KPOINTS
      
      95 Bytes
    - OSZICAR
      
      33.4 kB
    - OUTCAR
      
      841.3 kB
    - POSCAR
      
      17.5 kB
    - POTCAR
      
      798.8 kB
    - XDATCAR
      
      6.2 kB
    - vasprun.xml
      
      24.8 MB
  - FORCE_SETS
    
    3.5 MB
  - INCAR
    
    1.2 kB
  - KPOINTS
    
    95 Bytes
  - POSCAR
    
    17.5 kB
  - POTCAR
    
    798.8 kB
  - SPOSCAR
    
    9.8 kB
  - band.conf
    
    403 Bytes
  - band.yaml
    
    17.3 MB
  - disp.zip
    
    935.0 MB
  - force_constants.hdf5
    
    1.4 MB
  - mesh.yaml
    
    9.9 MB
  - phonopy.yaml
    
    63.9 kB
  - phonopy_disp.yaml
    
    110.6 kB
- FM
  - BornEffectiveCharges
    - DYNMAT
      
      49 Bytes
    - INCAR
      
      1.1 kB
    - KPOINTS
      
      95 Bytes
    - OSZICAR
      
      20.0 kB
    - OUTCAR
      
      478.8 kB
    - POSCAR
      
      17.5 kB
    - POTCAR
      
      798.8 kB
    - XDATCAR
      
      6.2 kB
    - vasprun.xml
      
      236.4 kB
  - FORCE_SETS
    
    3.5 MB
  - INCAR
    
    1.1 kB
  - KPOINTS
    
    95 Bytes
  - POSCAR
    
    17.5 kB
  - POTCAR
    
    798.8 kB
  - SPOSCAR
    
    9.8 kB
  - band.conf
    
    589 Bytes
  - band.yaml
    
    7.7 MB
  - disp.yaml
    
    110.6 kB
  - disp.zip
    
    197.2 MB
  - force_constants.hdf5
    
    1.4 MB
  - mesh.yaml
    
    9.9 MB
  - phonopy.yaml
    
    63.9 kB
  - phonopy_disp.yaml
    
    110.6 kB
- NM
  - PBE_700eV_D3
    - FORCE_SETS
      
      181.4 kB
    - INCAR
      
      963 Bytes
    - KPOINTS
      
      95 Bytes
    - POSCAR
      
      17.5 kB
    - POTCAR
      
      798.8 kB
    - SPOSCAR
      
      9.8 kB
    - band.conf
      
      592 Bytes
    - band.yaml
      
      7.7 MB
    - disp.tar.bz2
      
      27.6 MB
    - force_constants.hdf5
      
      1.3 MB
    - mesh.yaml
      
      942.7 kB
    - phonopy.yaml
      
      64.0 kB
    - phonopy_disp.yaml
      
      66.2 kB
  - PBE_900eV_D3
    - BORN
      
      696 Bytes
    - BornEffectiveCharges
      - CONTCAR
        
        17.5 kB
      - DOSCAR
        
        5.7 MB
      - DYNMAT
        
        49 Bytes
      - EIGENVAL
        
        16.8 kB
      - IBZKPT
        
        132 Bytes
      - INCAR
        
        937 Bytes
      - KPOINTS
        
        95 Bytes
      - OSZICAR
        
        24.2 kB
      - OUTCAR
        
        549.1 kB
      - PCDAT
        
        234 Bytes
      - POSCAR
        
        17.5 kB
      - POTCAR
        
        798.8 kB
      - PROCAR
        
        5.4 MB
      - WAVECAR
        
        1.0 GB
      - XDATCAR
        
        6.2 kB
      - vasprun.xml
        
        12.4 MB
    - FORCE_CONSTANTS
      
      5.1 MB
    - FORCE_SETS
      
      3.5 MB
    - INCAR
      
      937 Bytes
    - KPOINTS
      
      95 Bytes
    - POSCAR
      
      17.5 kB
    - POTCAR
      
      798.8 kB
    - SPOSCAR
      
      9.8 kB
    - band.conf
      
      593 Bytes
    - band.yaml
      
      17.3 MB
    - disp-.zip
      
      540.8 MB
    - force_constants.hdf5
      
      1.5 MB
    - mesh.yaml
      
      942.7 kB
    - phonopy.yaml
      
      63.9 kB
    - phonopy_disp.yaml
      
      110.6 kB
  - PBE_900eV_D4
    - FORCE_SETS
      
      181.4 kB
    - INCAR
      
      901 Bytes
    - KPOINTS
      
      95 Bytes
    - POSCAR
      
      17.5 kB
    - POTCAR
      
      798.8 kB
    - SPOSCAR
      
      9.8 kB
    - band.conf
      
      592 Bytes
    - band.yaml
      
      7.7 MB
    - disp.tar.bz2
      
      26.1 MB
    - force_constants.hdf5
      
      1.3 MB
    - mesh.yaml
      
      942.7 kB
    - phonopy.yaml
      
      64.0 kB
    - phonopy_disp.yaml
      
      66.2 kB
  - PBE_900eV_no_Dispersion
    - FORCE_SETS
      
      181.4 kB
    - INCAR
      
      929 Bytes
    - KPOINTS
      
      95 Bytes
    - POSCAR
      
      17.5 kB
    - POTCAR
      
      798.8 kB
    - SPOSCAR
      
      9.8 kB
    - band.conf
      
      592 Bytes
    - band.yaml
      
      7.7 MB
    - disp.tar.bz2
      
      27.6 MB
    - force_constants.hdf5
      
      1.3 MB
    - mesh.yaml
      
      942.7 kB
    - phonopy.yaml
      
      64.0 kB
    - phonopy_disp.yaml
      
      66.2 kB

HKUST-1_VASP_Phonons.zip