def __init__(self,
phonon,
phonon_plus,
phonon_minus,
mesh,
shift=None,
is_time_reversal=True,
is_gamma_center=False,
is_mesh_symmetry=True):
self._phonon = phonon
self._mesh = np.array(mesh, dtype='intc')
self._factor = phonon.get_unit_conversion_factor(),
primitive = phonon.get_primitive()
primitive_symmetry = phonon.get_primitive_symmetry()
gruneisen = Gruneisen(phonon.get_dynamical_matrix(),
phonon_plus.get_dynamical_matrix(),
phonon_minus.get_dynamical_matrix())
self._qpoints, self._weights = get_qpoints(
self._mesh,
np.linalg.inv(primitive.get_cell()),
q_mesh_shift=shift,
is_time_reversal=is_time_reversal,
is_gamma_center=is_gamma_center,
rotations=primitive_symmetry.get_pointgroup_operations(),
is_mesh_symmetry=is_mesh_symmetry)
gruneisen.set_qpoints(self._qpoints)
self._gamma = gruneisen.get_gruneisen()
self._gamma_prime = gruneisen.get_gamma_prime()
self._eigenvalues = gruneisen.get_eigenvalues()
self._frequencies = np.sqrt(
abs(self._eigenvalues)) * np.sign(self._eigenvalues) * self._factor
