5.53.1. extras.symmetry.symmetrize¶
- eminus.extras.symmetry.symmetrize(atoms, space_group=False, time_reversal=True)[source]¶
Symmetrize k-points of an Atoms object.
Reference: WIREs Comput. Mol. Sci. 8, e1340.
- Parameters:
atoms – Atoms object.
- Keyword Arguments:
space_group – Whether to consider space group symmetry.
time_reversal – Whether to consider time reversal symmetry.