diff --git a/tests/vasp/test_handlers.py b/tests/vasp/test_handlers.py index e4f3255f..4cc04456 100644 --- a/tests/vasp/test_handlers.py +++ b/tests/vasp/test_handlers.py @@ -816,22 +816,23 @@ def setUp(self) -> None: f"large_sigma/{f}" for f in ( "INCAR", - "vasprun.xml.1", - "vasprun.xml.2", + "POSCAR", + "OUTCAR_should_pass", + "OUTCAR_should_fail_and_has_incomplete_electronic_steps", ) ], ) def test_check_correct_large_sigma(self) -> None: # first check should reduce sigma - handler = LargeSigmaHandler(output_vasprun="vasprun.xml.1") + handler = LargeSigmaHandler(output_filename="OUTCAR_should_fail_and_has_incomplete_electronic_steps") assert handler.check() dct = handler.correct() assert dct["errors"] == ["LargeSigma"] - assert Incar.from_file("INCAR")["SIGMA"] == pytest.approx(0.1115, rel=1.0e-3) + assert Incar.from_file("INCAR")["SIGMA"] == pytest.approx(0.05059644, rel=1.0e-3) - # second check should find that sigma is appropriately reduced - handler = LargeSigmaHandler(output_vasprun="vasprun.xml.2") + # second check should find that sigma is correct as-is + handler = LargeSigmaHandler(output_filename="OUTCAR_should_pass") assert not handler.check()