def __init__(self,
supercell,
primitive,
mesh,
fc2,
nac_params=None,
nac_q_direction=None,
sigmas=None,
cutoff_frequency=1e-4,
frequency_step=None,
num_frequency_points=None,
temperatures=None,
frequency_factor_to_THz=VaspToTHz,
frequency_scale_factor=None,
is_mesh_symmetry=True,
symprec=1e-5,
output_filename=None,
log_level=0):
if sigmas is None:
self._sigmas = [None]
else:
self._sigmas = sigmas
self._supercell = supercell
self._primitive = primitive
self._mesh = mesh
self._fc2 = fc2
self._nac_params = nac_params
self._nac_q_direction = nac_q_direction
self._cutoff_frequency = cutoff_frequency
self._frequency_step = frequency_step
self._num_frequency_points = num_frequency_points
self._temperatures = temperatures
self._frequency_factor_to_THz = frequency_factor_to_THz
self._frequency_scale_factor = frequency_scale_factor
self._is_mesh_symmetry = is_mesh_symmetry
self._symprec = symprec
self._filename = output_filename
self._log_level = log_level
self._jdos = JointDos(
self._mesh,
self._primitive,
self._supercell,
self._fc2,
nac_params=self._nac_params,
nac_q_direction=self._nac_q_direction,
cutoff_frequency=self._cutoff_frequency,
frequency_step=self._frequency_step,
num_frequency_points=self._num_frequency_points,
temperatures=self._temperatures,
frequency_factor_to_THz=self._frequency_factor_to_THz,
frequency_scale_factor=self._frequency_scale_factor,
is_mesh_symmetry=self._is_mesh_symmetry,
symprec=self._symprec,
filename=output_filename,
log_level=self._log_level)
