def _symmetrize_reducible_collision_matrix(self):
import anharmonic._phono3py as phono3c
phono3c.symmetrize_collision_matrix(self._collision_matrix)
# Average matrix elements belonging to degenerate bands
col_mat = self._collision_matrix
for i, gp in enumerate(self._ir_grid_points):
freqs = self._frequencies[gp]
deg_sets = degenerate_sets(freqs)
for dset in deg_sets:
bi_set = []
for j in range(len(freqs)):
if j in dset:
bi_set.append(j)
sum_col = (col_mat[:, :, i, bi_set, :, :].sum(axis=2) /
len(bi_set))
for j in bi_set:
col_mat[:, :, i, j, :, :] = sum_col
for i, gp in enumerate(self._ir_grid_points):
freqs = self._frequencies[gp]
deg_sets = degenerate_sets(freqs)
for dset in deg_sets:
bi_set = []
for j in range(len(freqs)):
if j in dset:
bi_set.append(j)
sum_col = (col_mat[:, :, :, :, i, bi_set].sum(axis=4) /
len(bi_set))
for j in bi_set:
col_mat[:, :, :, :, i, j] = sum_col
def _symmetrize_reducible_collision_matrix(self):
import anharmonic._phono3py as phono3c
phono3c.symmetrize_collision_matrix(self._collision_matrix)
# Average matrix elements belonging to degenerate bands
col_mat = self._collision_matrix
for i, gp in enumerate(self._ir_grid_points):
freqs = self._frequencies[gp]
deg_sets = degenerate_sets(freqs)
for dset in deg_sets:
bi_set = []
for j in range(len(freqs)):
if j in dset:
bi_set.append(j)
sum_col = (col_mat[:, :, i, bi_set, :, :].sum(axis=2) /
len(bi_set))
for j in bi_set:
col_mat[:, :, i, j, :, :] = sum_col
for i, gp in enumerate(self._ir_grid_points):
freqs = self._frequencies[gp]
deg_sets = degenerate_sets(freqs)
for dset in deg_sets:
bi_set = []
for j in range(len(freqs)):
if j in dset:
bi_set.append(j)
sum_col = (col_mat[:, :, :, :, i, bi_set].sum(axis=4) /
len(bi_set))
for j in bi_set:
col_mat[:, :, :, :, i, j] = sum_col