tweak Yb_2 warning

materialsproject · Jan 18, 2024 · f0f17b5 · f0f17b5
1 parent 86b40f4
commit f0f17b5
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/pymatgen/io/vasp/sets.py b/pymatgen/io/vasp/sets.py
@@ -474,7 +474,7 @@ def structure(self, structure: Structure | None) -> None:
             uses_Yb_2_psp = potcar_settings.get("Yb", None) == "Yb_2"
             if struct_has_Yb and uses_Yb_2_psp:
                 warnings.warn(
-                    "The structure contains Ytterbium (Yb) and this InputSet uses the Yb_2 PSP.\n"
+                    "The structure contains Ytterbium (Yb) and this InputSet uses Yb_2 pseudo-potential.\n"
                     "Yb_2 is known to often give bad results since Yb has oxidation state 3+ in most compounds.\n"
                     "See https://github.com/materialsproject/pymatgen/issues/2968 for details.",
                     BadInputSetWarning,

diff --git a/tests/io/vasp/test_sets.py b/tests/io/vasp/test_sets.py
@@ -90,7 +90,7 @@ def test_yb_2_warning(input_set: VaspInputSet) -> None:
     with pytest.warns(BadInputSetWarning) as record:
         input_set(structure)
 
-    expected = "The structure contains Ytterbium (Yb) and this InputSet uses the Yb_2"
+    expected = "The structure contains Ytterbium (Yb) and this InputSet uses Yb_2 pseudo-potential"
     assert expected in str(record[0].message)