Adding settings_LDAU input in kkr_imp_wc

JuDFTteam · Jul 16, 2024 · b879b22 · b879b22
1 parent 11b3ed1
commit b879b22
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/aiida_kkr/workflows/kkr_imp.py b/aiida_kkr/workflows/kkr_imp.py
@@ -793,6 +793,8 @@ def run_kkrimp_scf(self):
                 builder.initial_noco_angles = self.inputs.scf.initial_noco_angles
             if 'rimpshift' in self.inputs.scf:
                 builder.rimpshift = self.inputs.scf.rimpshift
+            if 'settings_LDAU' in self.inputs.scf:
+                builder.settings_LDAU = self.inputs.scf.settings_LDAU
         builder.wf_parameters = kkrimp_params
         future = self.submit(builder)