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materialsproject · Mar 12, 2024 · eca1b7f · eca1b7f
1 parent 7308d26
commit eca1b7f
Showing 1 changed file with 10 additions and 11 deletions.
diff --git a/custodian/vasp/handlers.py b/custodian/vasp/handlers.py
@@ -679,17 +679,16 @@ def correct(self, directory="./"):
                     )
             self.error_count["algo_tet"] += 1
 
-        if "auto_nbands" in self.errors:
-            if nbands := vi["INCAR"].get("NBANDS"):
-                try:
-                    nelect = load_outcar(os.path.join(directory, "OUTCAR")).nelect
-                except Exception:
-                    nelect = None  # dummy value
-                if nelect and nbands > 2 * nelect:
-                    nions = len(vi["POSCAR"].structure)
-                    default_nbands = round(max([nelect / 2 + nions / 2, nelect * 0.6]))
-                    actions.append({"dict": "INCAR", "action": {"_set": {"NBANDS": default_nbands}}})
-                    self.error_count["auto_nbands"] += 1
+        if "auto_nbands" in self.errors and (nbands := vi["INCAR"].get("NBANDS")):
+            try:
+                nelect = load_outcar(os.path.join(directory, "OUTCAR")).nelect
+            except Exception:
+                nelect = None  # dummy value
+            if nelect and nbands > 2 * nelect:
+                nions = len(vi["POSCAR"].structure)
+                default_nbands = round(max([nelect / 2 + nions / 2, nelect * 0.6]))
+                actions.append({"dict": "INCAR", "action": {"_set": {"NBANDS": default_nbands}}})
+                self.error_count["auto_nbands"] += 1
 
         VaspModder(vi=vi, directory=directory).apply_actions(actions)
         return {"errors": list(self.errors), "actions": actions}