diff --git a/python/solid_dmft/dmft_tools/solver.py b/python/solid_dmft/dmft_tools/solver.py index 60970519..85f57a5c 100755 --- a/python/solid_dmft/dmft_tools/solver.py +++ b/python/solid_dmft/dmft_tools/solver.py @@ -1126,7 +1126,7 @@ def set_Gs_from_G_l(): if self.solver_params['crm_dlr_eps'] is not None: dlr_eps = self.solver_params['crm_dlr_eps'] else: - dlr_eps = self.general_params['crm_dlr_eps'] + dlr_eps = self.general_params['dlr_eps'] mpi.report(f"crm_dyson_solver with (wmax, eps) = ({dlr_wmax}, {dlr_eps}). ") G_dlr = fit_gf_dlr(self.triqs_solver.G_tau, w_max=dlr_wmax, eps=dlr_eps) self.G_time_dlr = make_gf_dlr_imtime(G_dlr) @@ -1461,7 +1461,7 @@ def set_Gs_from_G_l(): if self.solver_params['crm_dlr_eps'] is not None: dlr_eps = self.solver_params['crm_dlr_eps'] else: - dlr_eps = self.general_params['crm_dlr_eps'] + dlr_eps = self.general_params['dlr_eps'] mpi.report(f"crm_dyson_solver with (wmax, eps) = ({dlr_wmax}, {dlr_eps}). ") G_dlr = fit_gf_dlr(self.triqs_solver.results.G_tau, w_max=dlr_wmax, eps=dlr_eps) self.G_time_dlr = make_gf_dlr_imtime(G_dlr) diff --git a/python/solid_dmft/gw_embedding/gw_flow.py b/python/solid_dmft/gw_embedding/gw_flow.py index 360ba1c1..10f39347 100644 --- a/python/solid_dmft/gw_embedding/gw_flow.py +++ b/python/solid_dmft/gw_embedding/gw_flow.py @@ -494,8 +494,9 @@ def embedding_driver(general_params, solver_params, gw_params, advanced_params): if not general_params['magnetic']: break - mpi.report("\nChecking impurity self-energy on the IR mesh...") - ir_kernel.check_leakage(Sigma_ir, stats='f', name="impurity self-energy", w_input=True) + if mpi.is_master_node(): + print("\nChecking impurity self-energy on the IR mesh...") + ir_kernel.check_leakage(Sigma_ir, stats='f', name="impurity self-energy", w_input=True) # Writes results to h5 archive if mpi.is_master_node(): diff --git a/test/python/svo_cthyb_basic_crm/dmft_config.toml b/test/python/svo_cthyb_basic_crm/dmft_config.toml index 65cd906f..0ac8e447 100644 --- a/test/python/svo_cthyb_basic_crm/dmft_config.toml +++ b/test/python/svo_cthyb_basic_crm/dmft_config.toml @@ -8,8 +8,6 @@ mu_initial_guess = -0.027041 prec_mu = 0.001 n_iw = 501 n_tau = 10001 -dlr_wmax = 4 -dlr_eps = 1e-8 h_int_type = "kanamori" U = 8.0 @@ -39,3 +37,5 @@ n_cycles_tot = 1e+4 imag_threshold = 1e-5 measure_density_matrix = true crm_dyson_solver = true +crm_dlr_wmax = 4 +crm_dlr_eps = 1e-8 diff --git a/test/python/svo_ctseg_dyn/dmft_config.toml b/test/python/svo_ctseg_dyn/dmft_config.toml index 250d6d0e..cd54184f 100644 --- a/test/python/svo_ctseg_dyn/dmft_config.toml +++ b/test/python/svo_ctseg_dyn/dmft_config.toml @@ -6,8 +6,8 @@ mu_initial_guess = 13.223155 prec_mu = 0.001 n_iw = 200 n_tau = 20000 -dlr_wmax = 2 -dlr_eps = 1e-6 +dlr_wmax = 20 +dlr_eps = 1e-10 h_int_type = "dyn_density_density" # h_int_type = "crpa_density_density" @@ -31,6 +31,8 @@ n_warmup_cycles = 1e+4 n_cycles_tot = 1e+6 off_diag_threshold = 1e-4 crm_dyson_solver = true +crm_dlr_wmax = 2 +crm_dlr_eps = 1e-6 fit_min_n = 10 fit_max_n = 60 fit_max_moment = 4 diff --git a/test/python/svo_gw_emb_dyn/dmft_config.toml b/test/python/svo_gw_emb_dyn/dmft_config.toml index d023b6b2..cd16e90c 100644 --- a/test/python/svo_gw_emb_dyn/dmft_config.toml +++ b/test/python/svo_gw_emb_dyn/dmft_config.toml @@ -6,8 +6,8 @@ enforce_off_diag = false n_iw = 1000 n_tau = 10001 -dlr_wmax = 0.2 -dlr_eps = 1e-6 +dlr_wmax = 10 +dlr_eps = 1e-10 gw_embedding = true h_int_type = "dyn_density_density" @@ -28,6 +28,8 @@ n_cycles_tot = 1e+5 off_diag_threshold = 1e-5 diag_delta = false crm_dyson_solver = true +crm_dlr_wmax = 0.2 +crm_dlr_eps = 1e-6 fit_min_n = 10 fit_max_n = 100 fit_max_moment = 4