def _run_c(self, g_zero):
import phono3py._phono3py as phono3c
num_band = self._primitive.get_number_of_atoms() * 3
if g_zero is None or self._symmetrize_fc3_q:
_g_zero = np.zeros(self._interaction_strength.shape,
dtype='byte', order='C')
else:
_g_zero = g_zero
phono3c.interaction(self._interaction_strength,
_g_zero,
self._frequencies,
self._eigenvectors,
self._triplets_at_q,
self._grid_address,
self._mesh,
self._fc3,
self._smallest_vectors,
self._multiplicity,
self._masses,
self._p2s,
self._s2p,
self._band_indices,
self._symmetrize_fc3_q,
self._cutoff_frequency)
self._interaction_strength *= self._unit_conversion
def _run_c(self, g_zero):
import phono3py._phono3py as phono3c
if g_zero is None or self._symmetrize_fc3q:
_g_zero = np.zeros(self._interaction_strength.shape,
dtype="byte",
order="C")
else:
_g_zero = g_zero
phono3c.interaction(
self._interaction_strength,
_g_zero,
self._frequencies,
self._eigenvectors,
self._triplets_at_q,
self._bz_grid.addresses,
self._bz_grid.D_diag,
self._bz_grid.Q,
self._fc3,
self._svecs,
self._multi,
self._masses,
self._p2s,
self._s2p,
self._band_indices,
self._symmetrize_fc3q,
self._cutoff_frequency,
)
self._interaction_strength *= self._unit_conversion
self._g_zero = g_zero
def _run_c(self, g_zero=None):
import phono3py._phono3py as phono3c
num_band = self._primitive.get_number_of_atoms() * 3
svecs, multiplicity = get_smallest_vectors(self._supercell,
self._primitive,
self._symprec)
masses = np.array(self._primitive.get_masses(), dtype='double')
p2s = self._primitive.get_primitive_to_supercell_map()
s2p = self._primitive.get_supercell_to_primitive_map()
if g_zero is None:
_g_zero = np.zeros(self._interaction_strength.shape,
dtype='byte',
order='C')
else:
_g_zero = g_zero
phono3c.interaction(self._interaction_strength, _g_zero,
self._frequencies, self._eigenvectors,
self._triplets_at_q, self._grid_address,
self._mesh, self._fc3, svecs, multiplicity, masses,
p2s, s2p, self._band_indices,
self._symmetrize_fc3_q, self._cutoff_frequency)
self._interaction_strength *= self._unit_conversion