FileReaderOptions Struct Reference

FileReaderOptions Struct Reference#

LibRPA: librpa::FileReaderOptions Struct Reference

LibRPA

Options controlling dataset input from LibRPA files. More...

Public Attributes
std::string	input_dir
	Directory containing LibRPA input files.

double	cs_threshold = 1.0e-12
	Screening threshold for RI coefficients.

double	coulomb_threshold = 1.0e-12
	Screening threshold for Coulomb matrices.

bool	read_ri = true
	Whether to read RI and Coulomb data.

bool	read_band_data = true
	Read separate band files; false copies SCF data.

std::string	fn_stru = "stru_out"

std::string	fn_bz_sampling = "bz_sampling_out"

std::string	fn_basis = "basis_out"

std::string	fn_basis_wfc = "basis_wfc_out"

std::string	fn_basis_aux = "basis_aux_out"

std::string	fn_eigocc_scf = "band_out"

std::string	fn_velocity = "velocity_matrix"

std::string	fn_band_kpath_info = "band_kpath_info"

std::string	prefix_eigvecs_scf = "KS_eigenvector"

std::string	prefix_lri_coeff = "Cs_data"

std::string	prefix_lri_coeff_shrink = "Cs_shrinked_data"

std::string	prefix_coul_cut = "coulomb_unshrinked_cut"

Options controlling dataset input from LibRPA files.

The documentation for this struct was generated from the following file: