pyprocar.core.KPath¶

class pyprocar.core.KPath(kpoints: ndarray | None = None, n_grids: List[int] | None = None, segment_names: List[Tuple[str, str]] | None = None, tick_name_map: Dict[int, str] | None = None, reciprocal_lattice=None, discontinuity_threshold=0.2, zero_diff_threshold=1e-06, as_latex=True)[source]¶

Methods

`KPath.__init__`([kpoints, n_grids, ...])	The Kpath object to handle labels and ticks for band structure
`KPath.generate_points`()	Generate the kpath points
`KPath.get_continuous_segments`()
`KPath.get_distances`([isegments, ...])
`KPath.get_kpoints_transformed`(...)	A method to get the transformed kpoints
`KPath.get_optimized_kpoints_transformed`(...)	A method to get the optimized kpoints after a transformation
`KPath.get_segment_indices`()
`KPath.get_segments`([isegments, cartesian])
`KPath.get_special_kpoint_names`([segment_names])
`KPath.get_special_kpoints`([as_segments, ...])
`KPath.plot`([add_point_labels_args, ...])	Plots the band structure.
`KPath.write_to_file`([filename, fmt])	Write the kpath to a file.

Attributes

`KPath.brillouin_zone`
`KPath.continuous_start_indices`
`KPath.discontinuity_start_indices`
`KPath.k_distances`
`KPath.knames`
`KPath.kpoints`
`KPath.kpoints_cartesian`
`KPath.n_grids`
`KPath.n_kpoints`
`KPath.n_segments`	The number of band segments
`KPath.reciprocal_lattice`
`KPath.segment_indices`
`KPath.segment_names`
`KPath.special_kpoint_map`
`KPath.special_kpoint_names`
`KPath.special_kpoints`
`KPath.tick_name_map`	The list of tick names
`KPath.tick_names`
`KPath.tick_names_latex`
`KPath.tick_positions`