Index A | B | C | D | E | F | G | H | I | K | L | M | N | O | P | Q | R | S | U | V | W A aflow_extract module applydisplace() (displace_phonopy.DisplacePhonopy method) B band module band_file_epw() (in module create_epw_inputs) band_phonopy() (in module vasp_process) band_plot_vasp_line() (in module plot) band_wann_plot() (in module plot) C cellpar() (htepc.INPUTscf method) (in module scftocif) changeaxis() (in module magnetic) check_freq() (in module checkfreq) check_json module checkfreq module cif_to_gsinput module ciftoscf() (in module cif_to_gsinput) ciftoxsf() (in module create_epw_inputs) clean() (plot_bandproj.DataProcessor method) (plot_bandproj.PROCARProcessor method) combine_element() (plot_bandproj.DataProcessor method) combine_orbital() (plot_bandproj.DataProcessor method) config() (in module check_json) convergence_test module convert_gnu() (plot_bandproj.DataProcessor method) convert_species_list() (in module htepc) convert_to_numpy() (plot_bandproj.DataProcessor method) convex_hull() (in module crystal) convexhull() (in module element_extract) create_dos() (htepc.INPUTscf method) create_elph() (htepc.INPUTscf method) create_epw_inputs module create_folder() (in module element_extract) create_input() (in module element_extract) create_matdyn() (htepc.INPUTscf method) create_phdos() (htepc.INPUTscf method) create_q2r() (htepc.INPUTscf method) create_structure_list() (in module structure_group) create_wt_inputs module crystal module crystal_extract() (in module crystal) D data (displace_phonopy.DisplacePhonopy attribute) data_combine() (in module element_extract) data_one_element_compound() (in module element_extract) data_two_element_compound() (in module element_extract) DataProcessor (class in plot_bandproj) deformation() (in module elastic) dict_ (plot_bandproj.DataProcessor attribute) dict_1 (plot_bandproj.DataProcessor attribute) dict_2 (plot_bandproj.DataProcessor attribute) displace_phonopy module DisplacePhonopy (class in displace_phonopy) dos module dos_in() (in module dos) dos_plot() (in module plot) dos_plot_vasp() (in module plot) download() (htepc.MpConnect method) (in module aflow_extract) (in module element_extract) (in module oqmd_extract) download_by_entry() (in module element_extract) E ecut_set() (htepc.MpConnect method) eigen (displace_phonopy.DisplacePhonopy attribute) eigen_process() (in module vasp_process) elastic module element_extract module elph module elph_in() (in module elph) encut_check() (in module vasp_process) epw_bandcheck() (in module wannier90) epw_sc() (in module create_epw_inputs) epw_sc_from_json() (in module create_epw_inputs) extract() (in module element_extract) extract_data() (plot_bandproj.DataProcessor method) (plot_bandproj.PROCARProcessor method) extract_data_2() (plot_bandproj.DataProcessor method) (plot_bandproj.PROCARProcessor method) extract_elements_with_spin() (in module htepc) extract_relax() (htepc.OUTPUTscf method) F filename (displace_phonopy.DisplacePhonopy attribute) final_dict (plot_bandproj.DataProcessor attribute) find_all_indices() (in module plot_bandproj) fit_param() (in module fitting_elph_smearing) fitting_elph_smearing module freq_process module freq_process() (in module freq_process) func() (in module fitting_elph_smearing) func_erfc() (in module create_epw_inputs) G generate_kpath() (htepc.INPUTscf method) generate_submission module generate_submission_files() (in module generate_submission) get_prop_list() (htepc.MpConnect method) get_properties() (htepc.MpConnect method) getecut_sssp() (htepc.MpConnect method) geteigenvec() (displace_phonopy.DisplacePhonopy method) getevenkpt() (htepc.MpConnect method) getkpt() (htepc.MpConnect method) H htepc module I INPUTscf (class in htepc) insert() (in module htepc) irr_q() (in module elph) K kmesh_nscf module kpath module kpath() (in module kpath) kpoint_path module kpoint_path() (in module create_wt_inputs) (in module kpoint_path) kpoint_qe() (in module convergence_test) kpoint_vasp() (in module convergence_test) kptline() (in module plot) L lambda_in module lambda_in() (in module lambda_in) M magnetic module magnetic_structure() (in module magnetic) main() (in module aflow_extract) (in module band) (in module checkfreq) (in module cif_to_gsinput) (in module create_epw_inputs) (in module create_wt_inputs) (in module crystal) (in module elastic) (in module element_extract) (in module fitting_elph_smearing) (in module generate_submission) (in module kmesh_nscf) (in module kpath) (in module lambda_in) (in module magnetic) (in module mainprogram) (in module plot) (in module plot_bandproj) (in module poscar_to_vasp) (in module projection_phband) (in module pymatgen_phase_diagram) (in module qe_axsf2cellpos) (in module qe_input) (in module scftocif) (in module site_subs) (in module structure_group) (in module vasp_input) (in module vasp_process) main_qe() (in module convergence_test) main_vasp() (in module convergence_test) mainprogram module make_line_kpt() (in module kpath) mass_extract() (displace_phonopy.DisplacePhonopy method) matdyn module matdyn_dos module matdyn_dos() (in module matdyn_dos) matdyn_in() (in module matdyn) maxecut_sssp() (htepc.MpConnect method) maxecut_sssp_for_subs() (htepc.MpConnect method) metal_filter() (in module element_extract) module aflow_extract band check_json checkfreq cif_to_gsinput convergence_test create_epw_inputs create_wt_inputs crystal displace_phonopy dos elastic element_extract elph fitting_elph_smearing freq_process generate_submission htepc kmesh_nscf kpath kpoint_path lambda_in magnetic mainprogram matdyn matdyn_dos oqmd_extract phonband plot plot_bandproj poscar_to_vasp projection_phband pymatgen_phase_diagram q2r qe_axsf2cellpos qe_input scftocif site_subs structure_group vasp_input vasp_process wannier90 write_potcar MpConnect (class in htepc) N nband (plot_bandproj.DataProcessor attribute) negative_freq() (displace_phonopy.DisplacePhonopy method) nkpoint (plot_bandproj.DataProcessor attribute) nrow (plot_bandproj.DataProcessor attribute) O oqmd_extract module OUTPUTscf (class in htepc) P parse() (displace_phonopy.DisplacePhonopy method) parse_input() (in module projection_phband) parse_lambda() (in module fitting_elph_smearing) parse_symmetry_analysis() (in module elph) phonband module phonband_in() (in module phonband) phonon_input() (in module create_epw_inputs) plot module plot() (in module plot) plot_bandproj module plot_gamma() (in module plot) plot_phase() (in module pymatgen_phase_diagram) plot_projection() (in module plot) pos_to_kpt() (in module cif_to_gsinput) (in module htepc) poscar2potcar() (in module write_potcar) poscar_create() (in module aflow_extract) poscar_to_input() (in module oqmd_extract) poscar_to_vasp module post_band() (htepc.INPUTscf method) post_phband() (htepc.INPUTscf method) prepare_nscf() (in module create_epw_inputs) print_info() (plot_bandproj.DataProcessor method) (plot_bandproj.PROCARProcessor method) print_mode() (displace_phonopy.DisplacePhonopy method) print_qpt() (displace_phonopy.DisplacePhonopy method) print_to_file() (in module projection_phband) printk() (in module kpath) PROCARProcessor (class in plot_bandproj) proj_dict (plot_bandproj.DataProcessor attribute) projdata (plot_bandproj.DataProcessor attribute) projection() (in module projection_phband) projection_phband module projwfc() (in module create_epw_inputs) properties_string() (in module aflow_extract) property() (htepc.MpConnect method) pw2wan_input() (in module create_epw_inputs) pymatgen_cif() (in module cif_to_gsinput) pymatgen_phase_diagram module Q q2r module q2r_in() (in module q2r) qe_axsf2cellpos module qe_input module qe_input() (in module qe_input) R read_structure_file() (in module structure_group) reading_input() (in module projection_phband) ref_data (plot_bandproj.DataProcessor attribute) remove() (in module element_extract) reorder_dictionary() (in module htepc) S scdmfit() (in module create_epw_inputs) scf_to_dos_scf() (in module htepc) scf_tocif() (in module scftocif) scftocif module scftocif() (htepc.INPUTscf method) search() (in module oqmd_extract) search_data() (in module aflow_extract) setting() (htepc.MpConnect method) setting_input() (htepc.INPUTscf method) setting_qeinput() (htepc.MpConnect method) site_subs module stable() (in module element_extract) standardize() (htepc.INPUTscf method) structure_group module submission() (in module convergence_test) substitution() (in module site_subs) U update_scf() (htepc.OUTPUTscf method) V vasp_input module vasp_input() (in module vasp_input) vasp_process module vasp_process() (in module vasp_process) W wannier90 module write_band_element() (plot_bandproj.PROCARProcessor method) write_band_input() (in module band) write_band_orbital() (plot_bandproj.PROCARProcessor method) write_file() (in module elph) write_filedos() (in module plot) write_phonproj_in() (in module projection_phband) write_potcar module write_proj_elm_orbi() (plot_bandproj.DataProcessor method) write_unique_structures() (in module structure_group) wt_body() (in module create_wt_inputs)