[fix] small bug in dc initialization

TRIQS · Aug 15, 2024 · 1755cf8 · 1755cf8
1 parent 6e3073b
commit 1755cf8
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/python/solid_dmft/dmft_tools/initial_self_energies.py b/python/solid_dmft/dmft_tools/initial_self_energies.py
@@ -521,7 +521,7 @@ def determine_dc_and_initial_sigma(general_params, gw_params, advanced_params, s
                            for iineq in range(sum_k.n_inequiv_shells)]
             for icrsh in range(sum_k.n_inequiv_shells):
                 dc_pot = sum_k.block_structure.convert_matrix(sum_k.dc_imp[sum_k.inequiv_to_corr[icrsh]],
-                                                               ish_from=sum_k.inequiv_to_corr[icrsh],
+                                                               ish_from=icrsh,
                                                                space_from='sumk', space_to='solver')
 
                 if (general_params['magnetic'] and general_params['magmom'] and sum_k.SO == 0):

diff --git a/python/solid_dmft/dmft_tools/solver.py b/python/solid_dmft/dmft_tools/solver.py
@@ -556,7 +556,7 @@ def make_positive_definite(G):
             for name, g0 in self.G0_freq:
                 spin = name.split('_')[0] if not self.sum_k.corr_shells[self.icrsh]['SO'] else name
                 ftps_name = self.convert_ftps[spin]
-                solver_eal = self.sum_k.block_structure.convert_matrix(sumk_eal, space_from='sumk', ish_from=self.sum_k.inequiv_to_corr[self.icrsh])[name]
+                solver_eal = self.sum_k.block_structure.convert_matrix(sumk_eal, space_from='sumk', ish_from=self.icrsh)[name]
                 self.Delta_freq[name] << Omega + 1j * self.general_params['eta'] - inverse(g0) - solver_eal
                 # solver Delta is symmetrized by just using 'up_0' channel
                 self.Delta_freq_solver[ftps_name] << Omega + 1j * self.general_params['eta'] - inverse(g0) - solver_eal
@@ -626,7 +626,7 @@ def make_positive_definite(G):
             # fill Hloc FTPS object
             # get hloc_dft from effective atomic levels
             for name, gf in self.Delta_freq:
-                solver_eal = self.sum_k.block_structure.convert_matrix(sumk_eal, space_from='sumk', ish_from=self.sum_k.inequiv_to_corr[self.icrsh])[name]
+                solver_eal = self.sum_k.block_structure.convert_matrix(sumk_eal, space_from='sumk', ish_from=self.icrsh)[name]
                 if not self.sum_k.corr_shells[self.icrsh]['SO']:
                     name = self.convert_ftps[name.split('_')[0]]
                     solver_eal = solver_eal.real