triqs_dft_tools.converters.elk.ElkConverter.__init__

ElkConverter.__init__(filename, hdf_filename=None, dft_subgrp='dft_input', symmcorr_subgrp='dft_symmcorr_input', bc_subgrp='dft_bandchar_input', symmpar_subgrp='dft_symmpar_input', bands_subgrp='dft_bands_input', misc_subgrp='dft_misc_input', transp_subgrp='dft_transp_input', cont_subgrp='dft_contours_input', repacking=False)

Initialise the class.

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?