triqs_dft_tools.converters.vasp.VaspConverter

class triqs_dft_tools.converters.vasp.VaspConverter(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]: Conversion from VASP output to an hdf5 file that can be used as input for the SumkDFT class.

Methods

`__init__`(filename[, hdf_filename, ...])	Init of the class.
`convert_dft_input`()	Reads the input files, and stores the data in the HDFfile
`convert_misc_input`(bandwin_file, ...)	Reads input for the band window from bandwin_file, which is case.oubwin,
`convert_symmetry_input`(ctrl_head, orbits, ...)	Reads input for the symmetrisations from symm_file, which is case.sympar or case.symqmc.
`det_shell_equivalence`(corr_shells)	Determine the equivalence of correlated shells.
`read_data`(fh)	Generator for reading plain data.
`read_fortran_file`(filename, to_replace)	Returns a generator that yields all numbers in the Fortran file as float, with possible replacements.
`read_header_and_data`(filename)	Opens a file and returns a JSON-header and the generator for the plain data.
`repack`()	Calls the h5repack routine in order to reduce the file size of the hdf5 archive.