atomistics.workflows.phonons.helper.get_supercell_matrix

atomistics.workflows.phonons.helper.get_supercell_matrix#

atomistics.workflows.phonons.helper.get_supercell_matrix(interaction_range: float, cell: ndarray) ndarray[source]#

Calculate the supercell matrix based on the interaction range and cell.

Parameters:
  • interaction_range (float) – The interaction range.

  • cell (np.ndarray) – The cell.

Returns:

The supercell matrix.

Return type:

np.ndarray