Index

A

angles_to_vec() (in module masci_tools.io.common_functions)

C

CDF_voigt_profile() (in module masci_tools.vis.plot_methods) change_zoom() (in module masci_tools.vis.kkr_plot_shapefun)

check_error_category() (in module masci_tools.io.parsers.kkrparser_functions) check_voronoi_output() (in module masci_tools.io.parsers.voroparser_functions) construct_corelevel_spectrum() (in module masci_tools.vis.plot_methods)

D

default_histogram() (in module masci_tools.vis.plot_methods) dispersionplot() (in module masci_tools.vis.kkr_plot_bandstruc_qdos) (in module masci_tools.vis.kkr_plot_FS_qdos) (in module masci_tools.vis.kkr_plot_dos)

dosplot() (in module masci_tools.vis.kkr_plot_bandstruc_qdos) (in module masci_tools.vis.kkr_plot_FS_qdos) (in module masci_tools.vis.kkr_plot_dos)

F

fill_keywords_to_inputfile() (masci_tools.io.kkr_params.kkrparams method) find_neighbors() (in module masci_tools.io.kkrimp_scoef_tools)

FSqdos2D() (in module masci_tools.vis.kkr_plot_bandstruc_qdos) (in module masci_tools.vis.kkr_plot_FS_qdos) (in module masci_tools.vis.kkr_plot_dos)

G

gaussian() (in module masci_tools.vis.plot_methods) get_all_mandatory() (masci_tools.io.kkr_params.kkrparams method) get_corestates_from_potential() (in module masci_tools.io.common_functions) get_description() (masci_tools.io.kkr_params.kkrparams method) get_dict() (masci_tools.io.kkr_params.kkrparams method) get_distance() (in module masci_tools.io.kkrimp_scoef_tools) get_ef_from_potfile() (in module masci_tools.io.common_functions) get_highest_core_state() (in module masci_tools.io.common_functions) get_KKRcalc_parameter_defaults() (masci_tools.io.kkr_params.kkrparams class method) get_kmeshinfo() (in module masci_tools.io.parsers.kkrparser_functions) get_lattice_vectors() (in module masci_tools.io.parsers.kkrparser_functions)

get_missing_keys() (masci_tools.io.kkr_params.kkrparams method) get_natom() (in module masci_tools.io.parsers.kkrparser_functions) get_nspin() (in module masci_tools.io.parsers.kkrparser_functions) get_orbmom() (in module masci_tools.io.parsers.kkrparser_functions) get_set_values() (masci_tools.io.kkr_params.kkrparams method) get_single_particle_energies() (in module masci_tools.io.parsers.kkrparser_functions) get_spinmom_per_atom() (in module masci_tools.io.parsers.kkrparser_functions) get_structure_data() (in module masci_tools.io.kkrimp_scoef_tools) get_type() (masci_tools.io.kkr_params.kkrparams method) get_valence_min() (in module masci_tools.io.parsers.voroparser_functions) get_value() (masci_tools.io.kkr_params.kkrparams method)

H

histogram() (in module masci_tools.vis.plot_methods)

hyp2f2() (in module masci_tools.vis.plot_methods)

I

interpolate_dos() (in module masci_tools.io.common_functions)

is_mandatory() (masci_tools.io.kkr_params.kkrparams method)

K

kkrimp_parser_functions (class in masci_tools.io.parsers.kkrimp_parser_functions)

kkrparams (class in masci_tools.io.kkr_params)

L

lorentzian() (in module masci_tools.vis.plot_methods)

M

make_scoef() (in module masci_tools.io.kkrimp_scoef_tools) masci_tools.io.common_functions (module) masci_tools.io.io_fleur_bands (module) masci_tools.io.io_hdf5 (module) masci_tools.io.kkr_params (module) masci_tools.io.kkr_read_shapefun_info (module) masci_tools.io.kkrimp_scoef_tools (module) masci_tools.io.parsers.kkrimp_parser_functions (module) masci_tools.io.parsers.kkrparser_functions (module) masci_tools.io.parsers.voroparser_functions (module)

masci_tools.vis.kkr_plot_bandstruc_qdos (module) masci_tools.vis.kkr_plot_dos (module) masci_tools.vis.kkr_plot_FS_qdos (module) masci_tools.vis.kkr_plot_shapefun (module) masci_tools.vis.plot_methods (module) modify_potential (class in masci_tools.io.parsers.kkrimp_parser_functions) multi_scatter_plot() (in module masci_tools.vis.plot_methods) multiaxis_scatterplot() (in module masci_tools.vis.plot_methods) multiple_scatterplots() (in module masci_tools.vis.plot_methods) multiplot_moved() (in module masci_tools.vis.plot_methods)

N

neworder_potential() (masci_tools.io.parsers.kkrimp_parser_functions.modify_potential method)

P

parse_kkr_outputfile() (in module masci_tools.io.parsers.kkrparser_functions) parse_kkrimp_outputfile() (masci_tools.io.parsers.kkrimp_parser_functions.kkrimp_parser_functions method) parse_voronoi_output() (in module masci_tools.io.parsers.voroparser_functions) plot_bands() (in module masci_tools.vis.plot_methods) plot_bands2() (in module masci_tools.vis.plot_methods) plot_bands_and_dos() (in module masci_tools.vis.plot_methods) plot_certain_bands() (in module masci_tools.vis.plot_methods) plot_convergence_results() (in module masci_tools.vis.plot_methods) plot_convergence_results_m() (in module masci_tools.vis.plot_methods) plot_convex_hull2d() (in module masci_tools.vis.plot_methods) plot_corelevel_spectra() (in module masci_tools.vis.plot_methods) plot_corelevels() (in module masci_tools.vis.plot_methods)

plot_dos() (in module masci_tools.vis.plot_methods) plot_dos_atom_resolved() (in module masci_tools.vis.plot_methods) plot_dos_total_atom_resolved() (in module masci_tools.vis.plot_methods) plot_dos_total_l_resolved() (in module masci_tools.vis.plot_methods) plot_fleur_bands() (in module masci_tools.vis.plot_methods) plot_lattice_constant() (in module masci_tools.vis.plot_methods) plot_one_element_corelv() (in module masci_tools.vis.plot_methods) plot_relaxation_results() (in module masci_tools.vis.plot_methods) plot_residuen() (in module masci_tools.vis.plot_methods) plot_shapefun() (in module masci_tools.vis.kkr_plot_shapefun) plot_spin_dos() (in module masci_tools.vis.plot_methods) pseudo_voigt_profile() (in module masci_tools.vis.plot_methods)

R

read_fleur_banddos_hdf() (in module masci_tools.io.io_fleur_bands) read_hdf() (in module masci_tools.io.io_hdf5) read_keywords_from_inputcard() (masci_tools.io.kkr_params.kkrparams method)

read_shapefun() (in module masci_tools.io.kkr_read_shapefun_info) remove_value() (masci_tools.io.kkr_params.kkrparams method) rotate_onto_z() (in module masci_tools.io.kkrimp_scoef_tools)

S

select_reference() (in module masci_tools.io.kkrimp_scoef_tools) set_multiple_values() (masci_tools.io.kkr_params.kkrparams method) set_plot_defaults() (in module masci_tools.vis.plot_methods)

set_value() (masci_tools.io.kkr_params.kkrparams method) shapefun_from_scoef() (masci_tools.io.parsers.kkrimp_parser_functions.modify_potential method) single_scatterplot() (in module masci_tools.vis.plot_methods) surface_plot() (in module masci_tools.vis.plot_methods)

U

update_to_kkrimp() (masci_tools.io.kkr_params.kkrparams method)

update_to_voronoi() (masci_tools.io.kkr_params.kkrparams method) use_newsosol() (in module masci_tools.io.parsers.kkrparser_functions)

V

vec_to_angles() (in module masci_tools.io.common_functions)

voigt_profile() (in module masci_tools.vis.plot_methods)

W

waterfall_plot() (in module masci_tools.vis.plot_methods)

write_scoef() (in module masci_tools.io.kkrimp_scoef_tools)

Z

zoom_in() (in module masci_tools.vis.kkr_plot_shapefun)