structuretoolkit.analyse.get_ir_reciprocal_mesh

structuretoolkit.analyse.get_ir_reciprocal_mesh#

structuretoolkit.analyse.get_ir_reciprocal_mesh(structure, mesh, is_shift=array([0, 0, 0], dtype=int32), is_time_reversal=True, symprec=1e-05)[source]#
Parameters:

  • structure (Atoms) – The structure to analyse.

  • mesh

  • is_shift

  • is_time_reversal

  • symprec (float) – Symmetry search precision

Returns: