prevent future errors like this

materialsproject · Jun 12, 2024 · 60b78e6 · 60b78e6
1 parent ab5706e
commit 60b78e6
Showing 1 changed file with 4 additions and 3 deletions.
diff --git a/custodian/vasp/handlers.py b/custodian/vasp/handlers.py
@@ -189,17 +189,18 @@ def correct(self, directory="./"):
         actions = []
         vi = VaspInput.from_directory(directory)
 
-        if self.errors.intersection(["tet", "dentet"]):
+        if "tet" in self.errors:
+            actions.append({"dict": "INCAR", "action": {"_set": {"ISMEAR": 0, "SIGMA": 0.05}}})
+
+        if "dentet" in self.errors:
             # follow advice in this thread
             # https://vasp.at/forum/viewtopic.php?f=3&t=416&p=4047&hilit=dentet#p4047
-            err_type = "tet" if "tet" in self.errors else "dentet"
             if vi["INCAR"].get("KSPACING"):
                 # decrease KSPACING by 20% in each direction (approximately double no. of kpoints)
                 action = {"_set": {"KSPACING": vi["INCAR"].get("KSPACING") * 0.8}}
                 actions.append({"dict": "INCAR", "action": action})
             else:
                 actions.append({"dict": "INCAR", "action": {"_set": {"ISMEAR": 0, "SIGMA": 0.05}}})
-            self.error_count[err_type] += 1
 
         # Missing AMIN error handler:
         # previously, custodian would kill the job without letting it run if AMIN was flagged