def set_phph_interaction(self, nac_params=None, nac_q_direction=None, use_Peierls_model=False, frequency_scale_factor=None): self._interaction = Interaction( self._supercell, self._primitive, self._mesh, self._primitive_symmetry, fc3=self._fc3, band_indices=self._band_indices_flatten, use_Peierls_model=use_Peierls_model, frequency_factor_to_THz=self._frequency_factor_to_THz, cutoff_frequency=self._cutoff_frequency, is_nosym=self._is_nosym, symmetrize_fc3_q=self._symmetrize_fc3_q, lapack_zheev_uplo=self._lapack_zheev_uplo) self._interaction.set_dynamical_matrix( self._fc2, self._phonon_supercell, self._phonon_primitive, nac_params=nac_params, frequency_scale_factor=frequency_scale_factor) self._interaction.set_nac_q_direction(nac_q_direction=nac_q_direction)
def set_phph_interaction(self, nac_params=None, nac_q_direction=None, constant_averaged_interaction=None, frequency_scale_factor=None, unit_conversion=None): self._interaction = Interaction( self._supercell, self._primitive, self._mesh, self._primitive_symmetry, fc3=self._fc3, band_indices=self._band_indices_flatten, constant_averaged_interaction=constant_averaged_interaction, frequency_factor_to_THz=self._frequency_factor_to_THz, unit_conversion=unit_conversion, cutoff_frequency=self._cutoff_frequency, is_mesh_symmetry=self._is_mesh_symmetry, symmetrize_fc3_q=self._symmetrize_fc3_q, lapack_zheev_uplo=self._lapack_zheev_uplo) self._interaction.set_dynamical_matrix( self._fc2, self._phonon_supercell, self._phonon_primitive, nac_params=nac_params, frequency_scale_factor=frequency_scale_factor) self._interaction.set_nac_q_direction(nac_q_direction=nac_q_direction)