get_supercell_size#

atomate2.common.jobs.phonons.get_supercell_size(structure, min_length, prefer_90_degrees, **kwargs)[source]#

Determine supercell size with given min_length.

Parameters:
  • structure (Structure Object) – Input structure that will be used to determine supercell

  • min_length (float) – minimum length of cell in Angstrom

  • prefer_90_degrees (bool) – if True, the algorithm will try to find a cell with 90 degree angles first

  • **kwargs – Additional parameters that can be set.

Return type:

list[list[float]]