get_eigens

atomate2.common.jobs.anharmonicity.get_eigens(dynmat)

Calculate the eigenmodes and eigenfrequencies from the dynamical matrix.

Parameters:

dynmat (np.ndarray) – Dynamical matrix

Returns:

Tuple with first element being the array of eigenmodes and the second being the matrix of eigenfrequencies

Return type:

tuple[np.ndarray, np.ndarray]