def _set_triplets_integration_weights_c(g,
g_zero,
interaction,
frequency_points,
neighboring_phonons=False):
import phono3py._phono3py as phono3c
reciprocal_lattice = np.linalg.inv(interaction.get_primitive().get_cell())
mesh = interaction.get_mesh_numbers()
thm = TetrahedronMethod(reciprocal_lattice, mesh=mesh)
grid_address = interaction.get_grid_address()
bz_map = interaction.get_bz_map()
triplets_at_q = interaction.get_triplets_at_q()[0]
if neighboring_phonons:
unique_vertices = thm.get_unique_tetrahedra_vertices()
for i, j in zip((1, 2), (1, -1)):
neighboring_grid_points = np.zeros(len(unique_vertices) *
len(triplets_at_q),
dtype='intc')
phono3c.neighboring_grid_points(neighboring_grid_points,
triplets_at_q[:, i].flatten(),
j * unique_vertices, mesh,
grid_address, bz_map)
interaction.set_phonons(np.unique(neighboring_grid_points))
phono3c.triplets_integration_weights(g, g_zero, frequency_points,
thm.get_tetrahedra(), mesh,
triplets_at_q,
interaction.get_phonons()[0],
grid_address, bz_map)
def _set_triplets_integration_weights_c(g, g_zero, pp, frequency_points):
import phono3py._phono3py as phono3c
thm = TetrahedronMethod(pp.bz_grid.microzone_lattice)
triplets_at_q = pp.get_triplets_at_q()[0]
frequencies = pp.get_phonons()[0]
phono3c.triplets_integration_weights(
g,
g_zero,
frequency_points, # f0
np.array(np.dot(thm.get_tetrahedra(), pp.bz_grid.P.T), dtype="int_", order="C"),
pp.bz_grid.D_diag,
triplets_at_q,
frequencies, # f1
frequencies, # f2
pp.bz_grid.addresses,
pp.bz_grid.gp_map,
pp.bz_grid.store_dense_gp_map * 1 + 1,
g.shape[0],
)
def _set_triplets_integration_weights_c(g,
g_zero,
interaction,
frequency_points,
neighboring_phonons=False):
import phono3py._phono3py as phono3c
reciprocal_lattice = np.linalg.inv(interaction.primitive.cell)
mesh = interaction.mesh_numbers
thm = TetrahedronMethod(reciprocal_lattice, mesh=mesh)
grid_address = interaction.grid_address
bz_map = interaction.bz_map
triplets_at_q = interaction.get_triplets_at_q()[0]
if neighboring_phonons:
unique_vertices = thm.get_unique_tetrahedra_vertices()
for i, j in zip((1, 2), (1, -1)):
neighboring_grid_points = np.zeros(len(unique_vertices) *
len(triplets_at_q),
dtype=bz_map.dtype)
phono3c.neighboring_grid_points(
neighboring_grid_points,
np.array(triplets_at_q[:, i], dtype='uintp').ravel(),
j * unique_vertices, mesh, grid_address, bz_map)
interaction.run_phonon_solver(np.unique(neighboring_grid_points))
frequencies = interaction.get_phonons()[0]
phono3c.triplets_integration_weights(
g,
g_zero,
frequency_points, # f0
thm.get_tetrahedra(),
mesh,
triplets_at_q,
frequencies, # f1
frequencies, # f2
grid_address,
bz_map,
g.shape[0])