Example #1
0
 def _phonons_allclose(self, ph, fc333):
     ph333 = Phonopy(ph.unitcell,
                     supercell_matrix=[3, 3, 3],
                     primitive_matrix=ph.primitive_matrix)
     ph333.force_constants = fc333
     ph333.nac_params = ph.nac_params
     comm_points = self._get_comm_points(ph)
     ph.run_qpoints(comm_points)
     ph333.run_qpoints(comm_points)
     np.testing.assert_allclose(ph.get_qpoints_dict()['frequencies'],
                                ph333.get_qpoints_dict()['frequencies'],
                                atol=1e-5)