symmetrize#

Procar.symmetrize(symprec: float = 1e-05, outcar: str | None = None, structure=None, spglib: bool = True)[source]#

A method that will symmetrize the kpoints, projections, and bands of the calculation

Parameters:

  • symprec (float, optional) – The symmetry precision, by default 1e-5

  • outcar (str, optional) – The OUTCAR filename, by default None

  • structure (pyprocar.core.Structure, optional) – The structure of the calculation, by default None

  • spglib (bool, optional) – Boolean value to use spglib for the symmetrization, by default True