aiida_vasp.common.sumo_kpath

Using SUMO interface for getting the band structure This module requires sumo to be installed.

Module Contents

Functions

kpath_from_sumo	Obtain kpoint path from sumo
kpath_from_sumo_v2	Obtain kpoint path from sumo

API

aiida_vasp.common.sumo_kpath.kpath_from_sumo(structure: aiida.orm.StructureData, mode: aiida.orm.Str, symprec: aiida.orm.Float, line_density: aiida.orm.Float) → dict[str, aiida.orm.StructureData | aiida.orm.KpointsData]

Obtain kpoint path from sumo

Supports multiple modes: bradcrack, pymatgen, latimer-munro, seekpath

aiida_vasp.common.sumo_kpath.kpath_from_sumo_v2(structure: aiida.orm.StructureData, band_settings: aiida.orm.Dict) → dict[str, aiida.orm.StructureData | aiida.orm.KpointsData]

Obtain kpoint path from sumo

Supports multiple modes: bradcrack, pymatgen, latimer-munro, seekpath