fix test

materialsproject · May 21, 2024 · 64ebcb8 · 64ebcb8
1 parent 197177e
commit 64ebcb8
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Showing 2 changed files with 5 additions and 2 deletions.
diff --git a/custodian/vasp/handlers.py b/custodian/vasp/handlers.py
@@ -663,7 +663,7 @@ def correct(self, directory="./"):
                     )
             self.error_count["algo_tet"] += 1
 
-        if "auto_nbands" in self.errors and not (nbands := self._get_nbands_from_outcar(directory)):
+        if "auto_nbands" in self.errors and (nbands := self._get_nbands_from_outcar(directory)):
             nelect = load_outcar(os.path.join(directory, "OUTCAR")).nelect
             if nelect and nbands > 2 * nelect:
                 self.error_count["auto_nbands"] += 1

diff --git a/tests/vasp/test_handlers.py b/tests/vasp/test_handlers.py
@@ -598,8 +598,11 @@ def test_auto_nbands(self) -> None:
         shutil.copy("OUTCAR_auto_nbands", "OUTCAR")
         handler = VaspErrorHandler("vasp.auto_nbands")
         handler.check()
-        dct = handler.correct()
+        with pytest.warns(UserWarning, match="NBANDS seems to be too high"):
+            dct = handler.correct()
         assert "auto_nbands" in dct["errors"]
+
+
 
 class AliasingErrorHandlerTest(PymatgenTest):
     def setUp(self) -> None: