structuretoolkit.analyse.get_spacegroup

Contents

structuretoolkit.analyse.get_spacegroup#

structuretoolkit.analyse.get_spacegroup(structure, symprec=1e-05, angle_tolerance=-1.0)[source]#
Parameters:
  • structure (Atoms) – The structure to analyse.

  • symprec (float) – Symmetry search precision

  • angle_tolerance (float) – Angle search tolerance

Returns:

https://atztogo.github.io/spglib/python-spglib.html