def run_phonon_solver(self, grid_points=None):
"""Calculate phonons at grid_points.
This method is used in get_triplets_integration_weights by this
method name. So this name is not allowed to change.
"""
if grid_points is None:
_grid_points = np.arange(len(self._bz_grid.addresses),
dtype="int_")
else:
_grid_points = grid_points
run_phonon_solver_c(
self._dm,
self._frequencies,
self._eigenvectors,
self._phonon_done,
_grid_points,
self._bz_grid.addresses,
self._bz_grid.QDinv,
self._frequency_factor_to_THz,
self._nac_q_direction,
self._lapack_zheev_uplo,
)
def _run_phonon_solver_c(self, grid_points):
run_phonon_solver_c(self._dm,
self._frequencies,
self._eigenvectors,
self._phonon_done,
grid_points,
self._grid_address,
self._mesh,
self._frequency_factor_to_THz,
self._nac_q_direction,
self._lapack_zheev_uplo)
def _run_phonon_solver_c(self, grid_points):
run_phonon_solver_c(
self._dm,
self._frequencies,
self._eigenvectors,
self._phonon_done,
grid_points,
self._bz_grid.addresses,
self._bz_grid.QDinv,
frequency_conversion_factor=self._frequency_factor_to_THz,
nac_q_direction=self._nac_q_direction,
lapack_zheev_uplo=self._lapack_zheev_uplo,
)