def _run_c_with_band_indices_with_g(self):
import anharmonic._phono3py as phono3c
phono3c.imag_self_energy_with_g(self._imag_self_energy,
self._pp_strength,
self._triplets_at_q,
self._weights_at_q,
self._frequencies,
self._temperature,
self._g,
self._unit_conversion,
self._cutoff_frequency)
def _run_c_with_frequency_points_with_g(self):
import anharmonic._phono3py as phono3c
g = np.zeros((2,) + self._pp_strength.shape, dtype='double')
ise_at_f = np.zeros(self._imag_self_energy.shape[1], dtype='double')
for i in range(len(self._frequency_points)):
for j in range(g.shape[2]):
g[:, :, j, :, :] = self._g[:, :, i, :, :]
phono3c.imag_self_energy_with_g(ise_at_f,
self._pp_strength,
self._triplets_at_q,
self._weights_at_q,
self._frequencies,
self._temperature,
g,
self._unit_conversion,
self._cutoff_frequency)
self._imag_self_energy[i] = ise_at_f
def _run_c_with_band_indices_with_g(self):
import anharmonic._phono3py as phono3c
if self._g_zero is None:
_g_zero = np.zeros(self._pp_strength.shape,
dtype='byte', order='C')
else:
_g_zero = self._g_zero
phono3c.imag_self_energy_with_g(self._imag_self_energy,
self._pp_strength,
self._triplets_at_q,
self._weights_at_q,
self._frequencies,
self._temperature,
self._g,
_g_zero,
self._unit_conversion,
self._cutoff_frequency)
def _run_c_with_frequency_points_with_g(self):
import anharmonic._phono3py as phono3c
num_band0 = self._pp_strength.shape[1]
g_shape = list(self._g.shape)
g_shape[2] = num_band0
g = np.zeros(tuple(g_shape), dtype='double', order='C')
ise_at_f = np.zeros(num_band0, dtype='double')
_g_zero = np.zeros(g_shape, dtype='byte', order='C')
for i in range(len(self._frequency_points)):
for j in range(num_band0):
g[:, :, j, :, :] = self._g[:, :, i, :, :]
phono3c.imag_self_energy_with_g(ise_at_f,
self._pp_strength,
self._triplets_at_q,
self._weights_at_q,
self._frequencies,
self._temperature,
g,
_g_zero, # don't use g_zero
self._unit_conversion,
self._cutoff_frequency)
self._imag_self_energy[i] = ise_at_f
