Source code for seekpath
# pylint: disable=cyclic-import, wrong-import-position
# ruff: noqa: E402
"""
The seekpath module contains routines to get automatically the
path in a 3D Brillouin zone to plot band structures.
Author: Giovanni Pizzi, PSI (2016-onwards)
Maintainer: Timo Reents, PSI (2025-onwards)
Licence: MIT License, see LICENSE.txt file
"""
__version__ = '2.2.1'
__author__ = 'Giovanni Pizzi, PSI'
__maintainer__ = 'Timo Reents, PSI'
__copyright__ = (
'Copyright (c), 2016-2026, Giovanni Pizzi, PAUL SCHERRER INSTITUT '
'(Laboratory for Materials Simulations), EPFL '
'(Theory and Simulation of Materials (THEOS) and National Centre '
'for Computational Design and Discovery of Novel Materials '
'(NCCR MARVEL)), Switzerland.'
)
__credits__ = ['Yoyo Hinuma', 'Jae-Mo Lihm']
__license__ = 'MIT license'
__paper__ = (
'Y. Hinuma, G. Pizzi, Y. Kumagai, F. Oba, I. Tanaka, '
'Band structure diagram paths based on crystallography, '
'Comp. Mat. Sci. 128, 140 (2017). DOI: 10.1016/j.commatsci.2016.10.015'
)
[docs]class SupercellWarning(UserWarning):
"""
A warning issued when the cell is an undistorted supercell of a smaller
unit cell, and the kpoint path for a non-standardized cell (i.e., for the
original cell) is requested.
"""
from .getpaths import (
get_path,
get_explicit_k_path,
get_path_orig_cell,
get_explicit_k_path_orig_cell,
)
from .hpkot import EdgeCaseWarning, SymmetryDetectionError
from .brillouinzone import brillouinzone
__all__ = (
'get_path',
'get_explicit_k_path',
'get_path_orig_cell',
'get_explicit_k_path_orig_cell',
'EdgeCaseWarning',
'SymmetryDetectionError',
'SupercellWarning',
'brillouinzone',
)