triqs_dft_tools.converters.vasp.VaspConverter.__init__
- VaspConverter.__init__(filename, hdf_filename=None, dft_subgrp='dft_input', symmcorr_subgrp='dft_symmcorr_input', parproj_subgrp='dft_parproj_input', symmpar_subgrp='dft_symmpar_input', bands_subgrp='dft_bands_input', misc_subgrp='dft_misc_input', transp_subgrp='dft_transp_input', repacking=False, proj_or_hk='proj')[source]
Init of the class. Variable filename gives the root of all filenames, e.g. case.ctqmcout, case.h5, and so on.
- Parameters:
filename : string
Base name of DFT files.
hdf_filename : string, optional
Name of hdf5 archive to be created.
dft_subgrp : string, optional
Name of subgroup storing necessary DFT data.
symmcorr_subgrp : string, optional
Name of subgroup storing correlated-shell symmetry data.
parproj_subgrp : string, optional
Name of subgroup storing partial projector data.
symmpar_subgrp : string, optional
Name of subgroup storing partial-projector symmetry data.
bands_subgrp : string, optional
Name of subgroup storing band data.
misc_subgrp : string, optional
Name of subgroup storing miscellaneous DFT data.
transp_subgrp : string, optional
Name of subgroup storing transport data.
repacking : boolean, optional
Does the hdf5 archive need to be repacked to save space?
proj_or_hk : string, optional
Select scheme to convert between KS bands and localized orbitals.