Update MatPESStaticSet docstring: PBE_54 to PBE_64#4555
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shyuep merged 1 commit intomaterialsproject:masterfrom Nov 27, 2025
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Signed-off-by: ThomasWarford <64084106+ThomasWarford@users.noreply.github.com>
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Thanks. Yes, the docstring is wrong. |
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Summary
Replace PBE_54 with PBE_64, since I believe this is what MatPESStaticSet uses (see MatPES paper and line below)
pymatgen/src/pymatgen/io/vasp/MatPESStaticSet.yaml
Line 4 in 682bfd8
I'm not familiar with the codebase so if there's other changes to be made I think it's best for others to take over. Apologies if I'm mistaken here.
Major changes: None
Checklist
ruff.mypy.duecredit@due.dcitedecorators to reference relevant papers by DOI (example)