VASP_RAW_DATA_ORG

emmet.archival.vasp.raw.VASP_RAW_DATA_ORG = {'electronic_structure': ['EIGENVAL', 'DOSCAR'], 'input': ['INCAR', 'KPOINTS', 'KPOINTS_OPT', 'POSCAR', 'POTCAR', 'POTCAR.spec', 'vaspin.h5', 'INCAR.orig', 'KPOINTS.orig', 'KPOINTS_OPT.orig', 'POSCAR.orig', 'POTCAR.orig', 'POTCAR.spec.orig', 'vaspin.h5.orig'], 'output': ['CONTCAR', 'IBZKPT', 'OSZICAR', 'OUTCAR', 'PCDAT', 'PROCAR', 'REPORT', 'vasprun.xml', 'vaspout.h5', 'XDATCAR'], 'volumetric': ['CHGCAR', 'CHG', 'AECCAR0', 'AECCAR1', 'AECCAR2', 'ELFCAR', 'LOCPOT', 'POT'], 'workflow': ['FW.json', 'custodian.json', 'transformations.json']}

dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object’s

(key, value) pairs

dict(iterable) -> new dictionary initialized as if via:

d = {} for k, v in iterable:

d[k] = v

dict(**kwargs) -> new dictionary initialized with the name=value pairs

in the keyword argument list. For example: dict(one=1, two=2)