Index

_

__init__() (aiida_kkr.parsers.kkr.KkrParser method) (aiida_kkr.parsers.kkrimp.KkrimpParser method) (aiida_kkr.parsers.kkrimporter.KkrImporterParser method) (aiida_kkr.parsers.kkrnano.KKRnanoParser method) (aiida_kkr.parsers.voro.VoronoiParser method) (aiida_kkr.tools.plot_kkr.plot_kkr method) __weakref__ (aiida_kkr.tools.plot_kkr.plot_kkr attribute) (aiida_kkr.tools.tools_kkrimp.modify_potential attribute) _activate_jij_calc() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _change_atominfo() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _check_and_extract_input_nodes() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _check_file_existance() (aiida_kkr.parsers.kkrimp.KkrimpParser method) _check_illegal_parameter_overwrite() (aiida_kkr.calculations.kkr.KkrCalculation method) _check_input_dict() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _check_key_setting_consistency() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _check_tk_gui() (in module aiida_kkr.tools.plot_kkr) _check_valid_parent() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) (aiida_kkr.calculations.voro.VoronoiCalculation method) _convert_all_values_2_python_natives() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _copy_BdG_pot() (aiida_kkr.calculations.kkr.KkrCalculation method) _create_or_update_ldaupot() (aiida_kkr.calculations.kkr.KkrCalculation method) _dict_from_table() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _extract_and_write_config() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _extract_l_valence_charges() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _find_block() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _findSimpleEntries() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _get_and_verify_hostfiles() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _get_BdG_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method) _get_deci_file() (aiida_kkr.calculations.kkr.KkrCalculation method) _get_default_retrieve_list() (aiida_kkr.calculations.kkr.KkrCalculation method) _get_dos_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method) _get_index_list() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _get_Jij_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method) _get_jijrad() (aiida_kkr.workflows.jijs.kkr_jij_wc method) _get_kkrflex_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method) _get_lattice_constant() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _get_lines() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _get_local_copy_list() (aiida_kkr.calculations.kkr.KkrCalculation method) (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _get_natom() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _get_new_noco_angles() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) _get_old_ldaupot() (aiida_kkr.calculations.kkr.KkrCalculation method)

_get_para_jij() (aiida_kkr.workflows.jijs.kkr_jij_wc method) _get_parent_calc() (aiida_kkr.calculations.kkr.KkrCalculation method) _get_pot_and_shape() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _get_qdos_filelist() (aiida_kkr.calculations.kkr.KkrCalculation method) _get_rbasis_atom_symbol() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _get_shapes_array() (aiida_kkr.calculations.kkr.KkrCalculation method) _get_struc() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation class method) _get_structure_inputs() (aiida_kkr.calculations.kkr.KkrCalculation method) _getParametersEntry() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _has_ase_notebook() (in module aiida_kkr.tools.plot_kkr) _has_struc() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation class method) _identifyBlocks() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _in_notebook() (in module aiida_kkr.tools.plot_kkr) _init_internal_params() (aiida_kkr.calculations.kkrimporter.KkrImporterCalculation method) _init_ldau() (aiida_kkr.calculations.kkr.KkrCalculation method) _initialize_kkrimp_params() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _is_KkrCalc() (aiida_kkr.calculations.voro.VoronoiCalculation method) _is_KkrnanoCalc() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _kick_out_corestates_kkrhost() (aiida_kkr.calculations.kkr.KkrCalculation method) _make_nonco_angles() (in module aiida_kkr.workflows.jijs) _overwrite_parameters_from_input() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method) _prepare_qdos_calc() (aiida_kkr.calculations.kkr.KkrCalculation method) _process_DOS_file() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _read_table_block() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _set_ef_value_potential() (aiida_kkr.calculations.kkr.KkrCalculation method) _set_nosoc() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _set_parent_remotedata() (aiida_kkr.calculations.kkr.KkrCalculation method) _stringFromList() (aiida_kkr.parsers.kkrnano.KKRnanoParser method) _update_params() (in module aiida_kkr.calculations.kkr) _use_decimation() (aiida_kkr.calculations.kkr.KkrCalculation method) _use_initial_noco_angles() (aiida_kkr.calculations.kkr.KkrCalculation method) _use_lloyd() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _use_nonco_bfield() (aiida_kkr.calculations.kkr.KkrCalculation method) _write_efermi_file() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _write_input_file() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _write_kkrflex_angle() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _write_kkrflex_rimpshift() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) _write_nonco_angles() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _write_potential_file() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _write_rbasis() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) _write_scoef_file() (aiida_kkr.calculations.kkr.KkrCalculation method) _write_shapefun_file() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method)

A

adapt_emin() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) adapt_retrieve_tmatnew() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) add_jij_files() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) add_lmdos_files_to_retrieve() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) aiida_kkr.calculations.kkr module aiida_kkr.calculations.kkrimp module aiida_kkr.calculations.kkrimporter module aiida_kkr.calculations.kkrnano module aiida_kkr.calculations.voro module aiida_kkr.parsers.kkr module aiida_kkr.parsers.kkrimp module aiida_kkr.parsers.kkrimporter module aiida_kkr.parsers.kkrnano module aiida_kkr.parsers.voro module

aiida_kkr.tools.common_workfunctions module aiida_kkr.tools.plot_kkr module aiida_kkr.tools.tools_kkrimp module aiida_kkr.workflows.bs module aiida_kkr.workflows.dos module aiida_kkr.workflows.eos module aiida_kkr.workflows.gf_writeout module aiida_kkr.workflows.jijs module aiida_kkr.workflows.kkr_imp module aiida_kkr.workflows.kkr_imp_sub module aiida_kkr.workflows.kkr_scf module aiida_kkr.workflows.voro_start module

C

change_conv_para() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) check_2Dinput_consistency() (in module aiida_kkr.tools.common_workfunctions) check_dos() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) (aiida_kkr.workflows.voro_start.kkr_startpot_wc method) check_input_params() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) check_voro_out() (aiida_kkr.workflows.eos.kkr_eos_wc method) check_voronoi() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) (aiida_kkr.workflows.voro_start.kkr_startpot_wc method) classify_and_plot_node() (aiida_kkr.tools.plot_kkr.plot_kkr method)

collect_data_and_fit() (aiida_kkr.workflows.eos.kkr_eos_wc method) condition() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method) (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) construct_startpot() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method) convergence_on_track() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method) (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) create_or_update_ldaupot() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) create_scf_result_node() (in module aiida_kkr.workflows.kkr_scf) create_scoef_array() (in module aiida_kkr.tools.tools_kkrimp)

D

define() (aiida_kkr.calculations.kkr.KkrCalculation class method) (aiida_kkr.calculations.kkrimp.KkrimpCalculation class method) (aiida_kkr.calculations.kkrnano.KKRnanoCalculation class method) (aiida_kkr.calculations.voro.VoronoiCalculation class method) (aiida_kkr.workflows.bs.kkr_bs_wc class method) (aiida_kkr.workflows.dos.kkr_dos_wc class method) (aiida_kkr.workflows.eos.kkr_eos_wc class method) (aiida_kkr.workflows.gf_writeout.kkr_flex_wc class method) (aiida_kkr.workflows.jijs.kkr_jij_wc class method) (aiida_kkr.workflows.kkr_imp.kkr_imp_wc class method) (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc class method) (aiida_kkr.workflows.kkr_scf.kkr_scf_wc class method) (aiida_kkr.workflows.voro_start.kkr_startpot_wc class method)

do_iteration_check() (aiida_kkr.workflows.voro_start.kkr_startpot_wc method) dosplot() (aiida_kkr.tools.plot_kkr.plot_kkr method)

E

error_handler() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method) (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method) (aiida_kkr.workflows.voro_start.kkr_startpot_wc method)

extract_imp_pot_sfd() (in module aiida_kkr.workflows.kkr_imp_sub)

F

find_cluster_radius_alat() (aiida_kkr.workflows.voro_start.kkr_startpot_wc method) find_neighbors() (in module aiida_kkr.tools.tools_kkrimp)

find_parent_struc_from_voro_or_stwpd() (aiida_kkr.calculations.kkrnano.KKRnanoCalculation class method) find_parent_structure() (aiida_kkr.calculations.voro.VoronoiCalculation class method)

G

generate_inputcard_from_structure() (in module aiida_kkr.tools.common_workfunctions) get_a0_from_node() (in module aiida_kkr.tools.plot_kkr) get_BS() (aiida_kkr.workflows.bs.kkr_bs_wc method) get_datetime_from_str() (in module aiida_kkr.tools.plot_kkr) get_distance() (in module aiida_kkr.tools.tools_kkrimp) get_dos() (aiida_kkr.workflows.dos.kkr_dos_wc method) (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) (aiida_kkr.workflows.voro_start.kkr_startpot_wc method) get_ef_from_parent() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method) (in module aiida_kkr.tools.plot_kkr) get_flex() (aiida_kkr.workflows.gf_writeout.kkr_flex_wc method) get_imp_info_from_parent() (in module aiida_kkr.tools.tools_kkrimp) get_inputs_common() (in module aiida_kkr.tools.common_workfunctions) get_inputs_kkr() (in module aiida_kkr.tools.common_workfunctions) get_inputs_kkrimp() (in module aiida_kkr.tools.common_workfunctions) get_inputs_kkrimporter() (in module aiida_kkr.tools.common_workfunctions) get_inputs_voronoi() (in module aiida_kkr.tools.common_workfunctions) get_ldaupot_from_retrieved() (aiida_kkr.calculations.kkrimp.KkrimpCalculation class method) get_natyp() (in module aiida_kkr.tools.common_workfunctions) get_node() (in module aiida_kkr.tools.plot_kkr) get_old_ldaupot() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method)

get_parent_paranode() (in module aiida_kkr.tools.common_workfunctions) get_primitive_structure() (in module aiida_kkr.workflows.eos) get_qdos_data_from_node() (in module aiida_kkr.tools.plot_kkr) get_qdos_filenames() (in module aiida_kkr.tools.plot_kkr) get_remote_symlink() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) get_rms_kkrcalc() (aiida_kkr.tools.plot_kkr.plot_kkr method) get_rms_kkrcalc_from_remote() (in module aiida_kkr.tools.plot_kkr) get_run_test_opts() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) get_site_symbols() (in module aiida_kkr.workflows.kkr_scf) get_sorting_indices() (in module aiida_kkr.tools.plot_kkr) get_structure_data() (in module aiida_kkr.tools.tools_kkrimp) get_username() (in module aiida_kkr.tools.common_workfunctions) get_wf_defaults() (aiida_kkr.workflows.bs.kkr_bs_wc class method) (aiida_kkr.workflows.dos.kkr_dos_wc class method) (aiida_kkr.workflows.eos.kkr_eos_wc class method) (aiida_kkr.workflows.gf_writeout.kkr_flex_wc class method) (aiida_kkr.workflows.jijs.kkr_jij_wc class method) (aiida_kkr.workflows.kkr_imp.kkr_imp_wc class method) (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc class method) (aiida_kkr.workflows.kkr_scf.kkr_scf_wc class method) (aiida_kkr.workflows.voro_start.kkr_startpot_wc class method) group_nodes() (aiida_kkr.tools.plot_kkr.plot_kkr method)

H

has_starting_potential_input() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method)

I

init_ldau() (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) initial_mag() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)

initialize_params() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) inspect_kkr() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) inspect_kkrimp() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)

K

kkr_bs_wc (class in aiida_kkr.workflows.bs) kkr_dos_wc (class in aiida_kkr.workflows.dos) kkr_eos_wc (class in aiida_kkr.workflows.eos) kkr_flex_wc (class in aiida_kkr.workflows.gf_writeout) kkr_imp_sub_wc (class in aiida_kkr.workflows.kkr_imp_sub) kkr_imp_wc (class in aiida_kkr.workflows.kkr_imp) kkr_jij_wc (class in aiida_kkr.workflows.jijs) kkr_scf_wc (class in aiida_kkr.workflows.kkr_scf)

kkr_startpot_wc (class in aiida_kkr.workflows.voro_start) KkrCalculation (class in aiida_kkr.calculations.kkr) KkrimpCalculation (class in aiida_kkr.calculations.kkrimp) KkrImporterCalculation (class in aiida_kkr.calculations.kkrimporter) KkrImporterParser (class in aiida_kkr.parsers.kkrimporter) KkrimpParser (class in aiida_kkr.parsers.kkrimp) KKRnanoCalculation (class in aiida_kkr.calculations.kkrnano) KKRnanoParser (class in aiida_kkr.parsers.kkrnano) KkrParser (class in aiida_kkr.parsers.kkr)

M

make_kkrimp_rmsplot() (aiida_kkr.tools.plot_kkr.plot_kkr method) make_scoef() (in module aiida_kkr.tools.tools_kkrimp) modify_potential (class in aiida_kkr.tools.tools_kkrimp) module aiida_kkr.calculations.kkr aiida_kkr.calculations.kkrimp aiida_kkr.calculations.kkrimporter aiida_kkr.calculations.kkrnano aiida_kkr.calculations.voro aiida_kkr.parsers.kkr aiida_kkr.parsers.kkrimp aiida_kkr.parsers.kkrimporter aiida_kkr.parsers.kkrnano aiida_kkr.parsers.voro aiida_kkr.tools.common_workfunctions aiida_kkr.tools.plot_kkr aiida_kkr.tools.tools_kkrimp aiida_kkr.workflows.bs aiida_kkr.workflows.dos aiida_kkr.workflows.eos aiida_kkr.workflows.gf_writeout aiida_kkr.workflows.jijs aiida_kkr.workflows.kkr_imp aiida_kkr.workflows.kkr_imp_sub aiida_kkr.workflows.kkr_scf aiida_kkr.workflows.voro_start

move_kkrflex_files() (aiida_kkr.workflows.gf_writeout.kkr_flex_wc method)

N

neworder_potential() (aiida_kkr.tools.tools_kkrimp.modify_potential method)

P

parse() (aiida_kkr.parsers.kkr.KkrParser method) (aiida_kkr.parsers.kkrimp.KkrimpParser method) (aiida_kkr.parsers.kkrnano.KKRnanoParser method) (aiida_kkr.parsers.voro.VoronoiParser method) parse_BS_data() (in module aiida_kkr.workflows.bs) plot_group() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_imp_cluster() (in module aiida_kkr.tools.plot_kkr) plot_kkr (class in aiida_kkr.tools.plot_kkr) plot_kkr_calc() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_kkr_dos() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_kkr_eos() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_kkr_scf() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_kkr_single_node() (aiida_kkr.tools.plot_kkr.plot_kkr method)

plot_kkr_startpot() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_kkrimp_calc() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_kkrimp_dos_wc() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_kkrimp_sub_wc() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_kkrimp_wc() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_struc() (aiida_kkr.tools.plot_kkr.plot_kkr method) plot_voro_calc() (aiida_kkr.tools.plot_kkr.plot_kkr method) prepare_for_submission() (aiida_kkr.calculations.kkr.KkrCalculation method) (aiida_kkr.calculations.kkrimp.KkrimpCalculation method) (aiida_kkr.calculations.kkrnano.KKRnanoCalculation method) (aiida_kkr.calculations.voro.VoronoiCalculation method) prepare_strucs() (aiida_kkr.workflows.eos.kkr_eos_wc method) print_clean_inouts() (aiida_kkr.tools.plot_kkr.plot_kkr method)

R

rescale() (in module aiida_kkr.workflows.eos) rescale_no_wf() (in module aiida_kkr.workflows.eos) return_results() (aiida_kkr.workflows.bs.kkr_bs_wc method) (aiida_kkr.workflows.dos.kkr_dos_wc method) (aiida_kkr.workflows.eos.kkr_eos_wc method) (aiida_kkr.workflows.gf_writeout.kkr_flex_wc method) (aiida_kkr.workflows.jijs.kkr_jij_wc method) (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method) (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method) (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) (aiida_kkr.workflows.voro_start.kkr_startpot_wc method)

rmsplot() (aiida_kkr.tools.plot_kkr.plot_kkr method) rotate_onto_z() (in module aiida_kkr.tools.tools_kkrimp) run_gf_writeout() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method) run_kkr() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) run_kkr_steps() (aiida_kkr.workflows.eos.kkr_eos_wc method) run_kkrimp() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method) run_kkrimp_scf() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method) run_voroaux() (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method) run_voronoi() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) (aiida_kkr.workflows.voro_start.kkr_startpot_wc method) run_vorostart() (aiida_kkr.workflows.eos.kkr_eos_wc method)

S

save_fig_to_file() (in module aiida_kkr.tools.plot_kkr) select_reference() (in module aiida_kkr.tools.tools_kkrimp) set_energy_params() (in module aiida_kkr.workflows.bs) set_jij_params() (aiida_kkr.workflows.jijs.kkr_jij_wc method) set_params_BS() (aiida_kkr.workflows.bs.kkr_bs_wc method) set_params_dos() (aiida_kkr.workflows.dos.kkr_dos_wc method) set_params_flex() (aiida_kkr.workflows.gf_writeout.kkr_flex_wc method) shapefun_from_scoef() (aiida_kkr.tools.tools_kkrimp.modify_potential method) start() (aiida_kkr.workflows.bs.kkr_bs_wc method) (aiida_kkr.workflows.dos.kkr_dos_wc method) (aiida_kkr.workflows.eos.kkr_eos_wc method) (aiida_kkr.workflows.gf_writeout.kkr_flex_wc method) (aiida_kkr.workflows.jijs.kkr_jij_wc method) (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method) (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method) (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) (aiida_kkr.workflows.voro_start.kkr_startpot_wc method)

strucplot_ase_notebook() (in module aiida_kkr.tools.plot_kkr) structure_from_params() (in module aiida_kkr.tools.common_workfunctions) submit_Jij_calcs() (aiida_kkr.workflows.jijs.kkr_jij_wc method)

T

test_and_get_codenode() (in module aiida_kkr.tools.common_workfunctions)

U

update_kkr_params() (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method) update_kkrimp_params() (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method)

update_params() (in module aiida_kkr.tools.common_workfunctions) update_params_wf() (in module aiida_kkr.tools.common_workfunctions) update_voro_input() (in module aiida_kkr.workflows.voro_start)

V

validate_input() (aiida_kkr.workflows.bs.kkr_bs_wc method) (aiida_kkr.workflows.dos.kkr_dos_wc method) (aiida_kkr.workflows.gf_writeout.kkr_flex_wc method) (aiida_kkr.workflows.jijs.kkr_jij_wc method) (aiida_kkr.workflows.kkr_imp.kkr_imp_wc method) (aiida_kkr.workflows.kkr_imp_sub.kkr_imp_sub_wc method) (aiida_kkr.workflows.kkr_scf.kkr_scf_wc method)

vca_check() (in module aiida_kkr.tools.common_workfunctions) VoronoiCalculation (class in aiida_kkr.calculations.voro) VoronoiParser (class in aiida_kkr.parsers.voro)

W

write_scoef() (in module aiida_kkr.tools.tools_kkrimp)

write_scoef_full_imp_cls() (in module aiida_kkr.tools.tools_kkrimp)