__init__

KPath.__init__(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]

The Kpath object to handle labels and ticks for band structure

Parameters:

  • kpoints (np.ndarray) – The kpoints to be used for the kpath

  • n_grids (List[int]) – The number of grids to be used for each segment

  • segment_names (List[Tuple[str, str]]) – This is a list of tuples containing the names of the segments. The first element of the tuple is the name of the start point of the segment and the second element is the name of the end point of the segment.

  • tick_name_map (Dict[int, str]) – A dictionary containing the names of ticks on the kpath. The key is the index of the tick and the value is the name of the tick.

  • reciprocal_lattice (np.ndarray) – The reciprocal lattice of the crystal

  • discontinuity_threshold (float) – The threshold for a discontinuity

  • zero_diff_threshold (float) – The threshold for a zero difference