def run_thermal_conductivity( self, is_LBTE=True, temperatures=np.arange(0, 1001, 10, dtype='double'), sigmas=[], is_isotope=False, mass_variances=None, grid_points=None, mesh_divisors=None, coarse_mesh_shifts=None, cutoff_mfp=None, # in micrometre is_reducible_collision_matrix=False, no_kappa_stars=False, gv_delta_q=None, # for group velocity write_gamma=False, read_gamma=False, write_collision=False, read_collision=False, write_amplitude=False, read_amplitude=False, input_filename=None, output_filename=None): if is_LBTE: self._thermal_conductivity = get_thermal_conductivity_LBTE( self._interaction, self._primitive_symmetry, temperatures=temperatures, sigmas=self._sigmas, is_isotope=is_isotope, mass_variances=mass_variances, grid_points=grid_points, cutoff_mfp=cutoff_mfp, is_reducible_collision_matrix=is_reducible_collision_matrix, no_kappa_stars=no_kappa_stars, gv_delta_q=gv_delta_q, write_collision=write_collision, read_collision=read_collision, input_filename=input_filename, output_filename=output_filename, log_level=self._log_level) else: self._thermal_conductivity = get_thermal_conductivity_RTA( self._interaction, self._primitive_symmetry, temperatures=temperatures, sigmas=self._sigmas, is_isotope=is_isotope, mass_variances=mass_variances, grid_points=grid_points, mesh_divisors=mesh_divisors, coarse_mesh_shifts=coarse_mesh_shifts, cutoff_mfp=cutoff_mfp, no_kappa_stars=no_kappa_stars, gv_delta_q=gv_delta_q, write_gamma=write_gamma, read_gamma=read_gamma, input_filename=input_filename, output_filename=output_filename, log_level=self._log_level)
def run_thermal_conductivity( self, is_LBTE=True, temperatures=np.arange(0, 1001, 10, dtype='double'), sigmas=[], is_isotope=False, mass_variances=None, grid_points=None, mesh_divisors=None, coarse_mesh_shifts=None, cutoff_mfp=None, # in micrometre is_reducible_collision_matrix=False, no_kappa_stars=False, gv_delta_q=None, # for group velocity pinv_cutoff=1.0e-8, # for pseudo-inversion of collision matrix write_gamma=False, read_gamma=False, write_collision=False, read_collision=False, write_amplitude=False, read_amplitude=False, input_filename=None, output_filename=None): if is_LBTE: self._thermal_conductivity = get_thermal_conductivity_LBTE( self._interaction, self._primitive_symmetry, temperatures=temperatures, sigmas=self._sigmas, is_isotope=is_isotope, mass_variances=mass_variances, grid_points=grid_points, cutoff_mfp=cutoff_mfp, is_reducible_collision_matrix=is_reducible_collision_matrix, no_kappa_stars=no_kappa_stars, gv_delta_q=gv_delta_q, pinv_cutoff=pinv_cutoff, write_collision=write_collision, read_collision=read_collision, input_filename=input_filename, output_filename=output_filename, log_level=self._log_level) else: self._thermal_conductivity = get_thermal_conductivity_RTA( self._interaction, self._primitive_symmetry, temperatures=temperatures, sigmas=self._sigmas, is_isotope=is_isotope, mass_variances=mass_variances, grid_points=grid_points, mesh_divisors=mesh_divisors, coarse_mesh_shifts=coarse_mesh_shifts, cutoff_mfp=cutoff_mfp, no_kappa_stars=no_kappa_stars, gv_delta_q=gv_delta_q, write_gamma=write_gamma, read_gamma=read_gamma, input_filename=input_filename, output_filename=output_filename, log_level=self._log_level)
def run_thermal_conductivity( self, is_LBTE=True, temperatures=np.arange(0, 1001, 10, dtype='double'), sigmas=None, is_isotope=False, mass_variances=None, grid_points=None, boundary_mfp=None, # in micrometre use_averaged_pp_interaction=False, gamma_unit_conversion=None, mesh_divisors=None, coarse_mesh_shifts=None, is_reducible_collision_matrix=False, no_kappa_stars=False, gv_delta_q=None, # for group velocity run_with_g=True, # integration weights for smearing method, too pinv_cutoff=1.0e-8, # for pseudo-inversion of collision matrix write_gamma=False, read_gamma=False, write_collision=False, read_collision=False, write_amplitude=False, read_amplitude=False, input_filename=None, output_filename=None): if sigmas is None: sigmas = [] if is_LBTE: self._thermal_conductivity = get_thermal_conductivity_LBTE( self._interaction, self._primitive_symmetry, temperatures=temperatures, sigmas=self._sigmas, is_isotope=is_isotope, mass_variances=mass_variances, grid_points=grid_points, boundary_mfp=boundary_mfp, is_reducible_collision_matrix=is_reducible_collision_matrix, no_kappa_stars=no_kappa_stars, gv_delta_q=gv_delta_q, pinv_cutoff=pinv_cutoff, write_collision=write_collision, read_collision=read_collision, input_filename=input_filename, output_filename=output_filename, log_level=self._log_level) else: self._thermal_conductivity = get_thermal_conductivity_RTA( self._interaction, self._primitive_symmetry, temperatures=temperatures, sigmas=self._sigmas, is_isotope=is_isotope, mass_variances=mass_variances, grid_points=grid_points, boundary_mfp=boundary_mfp, use_averaged_pp_interaction=use_averaged_pp_interaction, gamma_unit_conversion=gamma_unit_conversion, mesh_divisors=mesh_divisors, coarse_mesh_shifts=coarse_mesh_shifts, no_kappa_stars=no_kappa_stars, gv_delta_q=gv_delta_q, run_with_g=run_with_g, write_gamma=write_gamma, read_gamma=read_gamma, input_filename=input_filename, output_filename=output_filename, log_level=self._log_level)
def run_thermal_conductivity( self, is_LBTE=False, temperatures=np.arange(0, 1001, 10, dtype='double'), is_isotope=False, mass_variances=None, grid_points=None, boundary_mfp=None, # in micrometre use_ave_pp=False, gamma_unit_conversion=None, mesh_divisors=None, coarse_mesh_shifts=None, is_reducible_collision_matrix=False, is_kappa_star=True, gv_delta_q=None, # for group velocity run_with_g=True, # integration weights for smearing method, too is_full_pp=False, pinv_cutoff=1.0e-8, # for pseudo-inversion of collision matrix write_gamma=False, read_gamma=False, write_kappa=False, write_collision=False, read_collision=False, write_amplitude=False, read_amplitude=False, input_filename=None, output_filename=None): if self._interaction is None: self.set_phph_interaction() if is_LBTE: self._thermal_conductivity = get_thermal_conductivity_LBTE( self._interaction, self._primitive_symmetry, temperatures=temperatures, sigmas=self._sigmas, is_isotope=is_isotope, mass_variances=mass_variances, grid_points=grid_points, boundary_mfp=boundary_mfp, is_reducible_collision_matrix=is_reducible_collision_matrix, is_kappa_star=is_kappa_star, gv_delta_q=gv_delta_q, pinv_cutoff=pinv_cutoff, write_collision=write_collision, read_collision=read_collision, write_kappa=write_kappa, input_filename=input_filename, output_filename=output_filename, log_level=self._log_level) else: self._thermal_conductivity = get_thermal_conductivity_RTA( self._interaction, self._primitive_symmetry, temperatures=temperatures, sigmas=self._sigmas, is_isotope=is_isotope, mass_variances=mass_variances, grid_points=grid_points, boundary_mfp=boundary_mfp, use_ave_pp=use_ave_pp, gamma_unit_conversion=gamma_unit_conversion, mesh_divisors=mesh_divisors, coarse_mesh_shifts=coarse_mesh_shifts, is_kappa_star=is_kappa_star, gv_delta_q=gv_delta_q, run_with_g=run_with_g, is_full_pp=is_full_pp, write_gamma=write_gamma, read_gamma=read_gamma, write_kappa=write_kappa, input_filename=input_filename, output_filename=output_filename, log_level=self._log_level)