def __init__(self):
Settings.__init__(self)
self._coarse_mesh_shifts = None
self._cutoff_fc3_distance = None
self._cutoff_pair_distance = None
self._cutoff_frequency = 1e-4
self._cutoff_lifetime = 1e-4 # in second
self._grid_points = None
self._ion_clamped = False
self._is_bterta = False
self._is_lbte = False
self._is_linewidth = False
self._is_frequency_shift = False
self._mass_variances = None
self._max_freepath = None
self._mesh_divisors = None
self._no_kappa_stars = False
self._read_amplitude = False
self._read_collision = None
self._read_gamma = False
self._phonon_supercell_matrix = None
self._temperatures = None
self._write_amplitude = False
self._write_collision = False
self._write_gamma = False
def __init__(self):
Settings.__init__(self)
self._boundary_mfp = 1.0e6 # In micrometre. The default value is
# just set to avoid divergence.
self._coarse_mesh_shifts = None
self._constant_averaged_pp_interaction = None
self._cutoff_fc3_distance = None
self._cutoff_pair_distance = None
self._grid_addresses = None
self._grid_points = None
self._ion_clamped = False
self._is_bterta = False
self._is_imag_self_energy = False
self._is_isotope = False
self._is_lbte = False
self._is_linewidth = False
self._is_frequency_shift = False
self._mass_variances = None
self._max_freepath = None
self._mesh_divisors = None
self._no_kappa_stars = False
self._read_amplitude = False
self._read_collision = None
self._read_gamma = False
self._run_with_g = True
self._phonon_supercell_matrix = None
self._pinv_cutoff = 1.0e-8
self._scattering_event_class = None # scattering event class 1 or 2
self._temperatures = None
self._average_pp_interaction = False
self._write_amplitude = False
self._write_collision = False
self._write_gamma = False
self._write_detailed_gamma = False
def __init__(self):
Settings.__init__(self)
self._boundary_mfp = 1.0e6 # In micrometre. The default value is
# just set to avoid divergence.
self._coarse_mesh_shifts = None
self._constant_averaged_pp_interaction = None
self._cutoff_fc3_distance = None
self._cutoff_pair_distance = None
self._grid_addresses = None
self._grid_points = None
self._ion_clamped = False
self._is_bterta = False
self._is_isotope = False
self._is_lbte = False
self._is_linewidth = False
self._is_frequency_shift = False
self._mass_variances = None
self._max_freepath = None
self._mesh_divisors = None
self._no_kappa_stars = False
self._read_amplitude = False
self._read_collision = None
self._read_gamma = False
self._phonon_supercell_matrix = None
self._pinv_cutoff = 1.0e-8
self._scattering_event_class = None # scattering event class 1 or 2
self._temperatures = None
self._average_pp_interaction = False
self._write_amplitude = False
self._write_collision = False
self._write_gamma = False
def __init__(self):
Settings.__init__(self)
self._coarse_mesh_shifts = None
self._cutoff_fc3_distance = None
self._cutoff_pair_distance = None
self._cutoff_mfp = None # in micrometre
self._grid_addresses = None
self._grid_points = None
self._ion_clamped = False
self._is_bterta = False
self._is_isotope = False
self._is_lbte = False
self._is_linewidth = False
self._is_frequency_shift = False
self._mass_variances = None
self._max_freepath = None
self._mesh_divisors = None
self._no_kappa_stars = False
self._read_amplitude = False
self._read_collision = None
self._read_gamma = False
self._phonon_supercell_matrix = None
self._scattering_event_class = None # scattering event class 1 or 2
self._temperatures = None
self._use_Peierls_model = False
self._write_amplitude = False
self._write_collision = False
self._write_gamma = False
def __init__(self):
Settings.__init__(self)
self._alm_options = None
self._boundary_mfp = 1.0e6 # In micrometre. The default value is
# just set to avoid divergence.
self._coarse_mesh_shifts = None
self._const_ave_pp = None
self._create_displacements = False
self._cutoff_fc3_distance = None
self._cutoff_pair_distance = None
self._gamma_conversion_factor = None
self._grid_addresses = None
self._grid_points = None
self._ion_clamped = False
self._is_bterta = False
self._is_compact_fc = False
self._is_frequency_shift = False
self._is_full_pp = False
self._is_gruneisen = False
self._is_imag_self_energy = False
self._is_isotope = False
self._is_joint_dos = False
self._is_kappa_star = True
self._is_lbte = False
self._is_N_U = False
self._is_reducible_collision_matrix = False
self._is_symmetrize_fc2 = False
self._is_symmetrize_fc3_q = False
self._is_symmetrize_fc3_r = False
self._mass_variances = None
self._max_freepath = None
self._mesh_divisors = None
self._read_collision = None
self._read_fc2 = False
self._read_fc3 = False
self._read_gamma = False
self._read_phonon = False
self._read_pp = False
self._phonon_supercell_matrix = None
self._pinv_cutoff = 1.0e-8
self._pinv_solver = 0
self._pp_conversion_factor = None
self._scattering_event_class = None # scattering event class 1 or 2
self._sigma_cutoff_width = None
self._solve_collective_phonon = False
self._temperatures = None
self._use_alm_fc2 = False
self._use_alm_fc3 = False
self._use_ave_pp = False
self._write_collision = False
self._write_gamma_detail = False
self._write_gamma = False
self._write_phonon = False
self._write_pp = False
self._write_LBTE_solution = False
def __init__(self):
Settings.__init__(self)
self._boundary_mfp = 1.0e6 # In micrometre. The default value is
# just set to avoid divergence.
self._coarse_mesh_shifts = None
self._constant_averaged_pp_interaction = None
self._create_displacements = False
self._cutoff_fc3_distance = None
self._cutoff_pair_distance = None
self._frequency_scale_factor = None
self._gamma_conversion_factor = None
self._grid_addresses = None
self._grid_points = None
self._ion_clamped = False
self._is_bterta = False
self._is_frequency_shift = False
self._is_full_pp = False
self._is_gruneisen = False
self._is_imag_self_energy = False
self._is_isotope = False
self._is_joint_dos = False
self._is_kappa_star = True
self._is_lbte = False
self._is_linewidth = False
self._is_reducible_collision_matrix = False
self._is_symmetrize_fc2 = False
self._is_symmetrize_fc3_q = False
self._is_symmetrize_fc3_r = False
self._mass_variances = None
self._max_freepath = None
self._mesh_divisors = None
self._read_amplitude = False
self._read_collision = None
self._read_fc2 = False
self._read_fc3 = False
self._read_gamma = False
self._read_phonon = False
self._run_with_g = True
self._phonon_supercell_matrix = None
self._pinv_cutoff = 1.0e-8
self._pp_conversion_factor = None
self._scattering_event_class = None # scattering event class 1 or 2
self._temperatures = None
self._use_ave_pp = False
self._write_amplitude = False
self._write_collision = False
self._write_detailed_gamma = False
self._write_gamma = False
self._write_phonon = False
def __init__(self):
Settings.__init__(self)
self._band_indices = None
self._coarse_mesh_shifts = None
self._grid_points = None
self._is_bterta = False
self._is_linewidth = False
self._no_kappa_stars = False
self._read_gamma = False
self._supercell_matrix_extra = None
self._temperature = None
self._write_gamma = False
self._read_fc2 = False
self._read_fc2_extra=False
self._mesh_shift = [False, False, False]
def __init__(self):
Settings.__init__(self)
self._band_indices = None
self._coarse_mesh_shifts = None
self._grid_points = None
self._is_bterta = False
self._is_linewidth = False
self._no_kappa_stars = False
self._read_gamma = False
self._supercell_matrix_extra = None
self._temperature = None
self._write_gamma = False
self._read_fc2 = False
self._read_fc2_extra = False
self._mesh_shift = [False, False, False]
def __init__(self):
Settings.__init__(self)
self._band_indices = None
self._coarse_mesh_shifts = None
self._cutoff_pair = None
self._cutoff_delta = None
self._cutoff_triplet = None
self._cutoff_radius = None
self._cutoff_frequency = 1e-4
self._cutoff_hfrequency = None
self._cutoff_lifetime = 1e-4 # in second
self._diff_kappa = 1e-5 # relative
self._diff_gamma = 1e-5 # relative
self._grid_points = None
self._ion_clamped = False
self._is_ite=False
self._is_ite_cg = False
self._is_ise=False
self._is_bterta = False
self._is_linewidth = False
self._nu = None
self._is_isotope = False
self._is_frequency_shift = False
self._max_ite = None
self._mass_variances = None
self._max_freepath = None
self._mesh_divisors = None
self._multiple_sigmas = None
self._adaptive_sigma_step = 0
self._no_kappa_stars = False
self._read_amplitude = False
self._read_gamma = False
self._supercell_matrix_extra = None
self._temperatures = None
self._write_amplitude = False
self._write_gamma = False
self._write_triplet = False
self._read_fc2 = False
self._read_fc3 = False
self._wstep = None
self._length = None
self._read_fc2_extra=False
def __init__(self):
Settings.__init__(self)
self._band_indices = None
self._coarse_mesh_shifts = None
self._cutoff_pair = None
self._cutoff_delta = None
self._cutoff_triplet = None
self._cutoff_radius = None
self._cutoff_frequency = 1e-4
self._cutoff_hfrequency = None
self._cutoff_lifetime = 1e-4 # in second
self._diff_kappa = 1e-5 # relative
self._diff_gamma = 1e-5 # relative
self._grid_points = None
self._ion_clamped = False
self._is_ite = False
self._is_ite_cg = False
self._is_ise = False
self._is_bterta = False
self._is_linewidth = False
self._nu = None
self._is_isotope = False
self._is_frequency_shift = False
self._max_ite = None
self._mass_variances = None
self._max_freepath = None
self._mesh_divisors = None
self._multiple_sigmas = None
self._adaptive_sigma_step = 0
self._no_kappa_stars = False
self._read_amplitude = False
self._read_gamma = False
self._supercell_matrix_extra = None
self._temperatures = None
self._write_amplitude = False
self._write_gamma = False
self._write_triplet = False
self._read_fc2 = False
self._read_fc3 = False
self._wstep = None
self._length = None
self._read_fc2_extra = False
def __init__(self, default=None):
Settings.__init__(self)
self._v.update(Phono3pySettings._default.copy())
if default is not None:
self._v.update(default)