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subroutine, public | greenx_interface::greenx_refine_pade (e_min, e_max, x_eval, number_of_simulation_steps, number_of_pade_points, logger, ft_section, bse_unit, omega_series, ft_full_series) |
| Refines Pade approximants using GreenX, skips this step if GreenX is not available.
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subroutine, public | greenx_interface::greenx_output_polarizability (logger, pol_section, bse_unit, pol_elements, x_eval, polarizability_refined) |
| Outputs the isotropic polarizability tensor element alpha _ ij = mu_i(omega)/E_j(omega), where i and j are provided by the configuration. The tensor element is energy dependent and has real and imaginary parts.
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subroutine, public | greenx_interface::greenx_refine_ft (fit_e_min, fit_e_max, x_fit, y_fit, x_eval, y_eval, n_pade_opt) |
| Refines the FT grid using Padé approximants.
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subroutine, public | greenx_interface::greenx_get_minimax_grid (unit_nr, num_integ_points, emin, emax, tau_tj, tau_wj, regularization_minimax, tj, wj, weights_cos_tf_t_to_w, weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, ierr) |
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