def _get_c_dipole_dipole(self, K_list, q, q_dir_cart):
import phonopy._phonopy as phonoc
pos = self._pcell.get_positions()
num_atom = self._pcell.get_number_of_atoms()
volume = self._pcell.get_volume()
C = np.zeros((num_atom, 3, num_atom, 3),
dtype=self._dtype_complex,
order='C')
phonoc.dipole_dipole(C.view(dtype='double'),
np.array(K_list, dtype='double', order='C'), q,
q_dir_cart, self._born, self._dielectric,
np.array(pos, dtype='double', order='C'),
self._unit_conversion * 4.0 * np.pi / volume,
self._symprec)
return C
def _get_c_dipole_dipole(self, q_cart, q_dir_cart):
import phonopy._phonopy as phonoc
pos = self._pcell.get_positions()
num_atom = len(pos)
volume = self._pcell.get_volume()
dd = np.zeros((num_atom, 3, num_atom, 3),
dtype=self._dtype_complex,
order='C')
phonoc.dipole_dipole(dd.view(dtype='double'),
self._dd_q0.view(dtype='double'), self._G_list,
q_cart, q_dir_cart, self._born, self._dielectric,
np.array(pos, dtype='double', order='C'),
self._unit_conversion * 4.0 * np.pi / volume,
self._Lambda, self._symprec)
return dd
def _get_c_dipole_dipole(self, q_cart, q_dir_cart):
import phonopy._phonopy as phonoc
pos = self._pcell.get_positions()
num_atom = len(pos)
volume = self._pcell.get_volume()
dd = np.zeros((num_atom, 3, num_atom, 3),
dtype=self._dtype_complex, order='C')
phonoc.dipole_dipole(dd.view(dtype='double'),
self._dd_q0.view(dtype='double'),
self._G_list,
q_cart,
q_dir_cart,
self._born,
self._dielectric,
np.array(pos, dtype='double', order='C'),
self._unit_conversion * 4.0 * np.pi / volume,
self._Lambda,
self._symprec)
return dd