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Merge branch 'master' into fix-MatPESStaticSet
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Signed-off-by: Janosh Riebesell <janosh.riebesell@gmail.com>
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janosh authored Aug 31, 2023
2 parents 5b7ab3f + 9895455 commit ea420a4
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1 change: 1 addition & 0 deletions tests/io/vasp/test_sets.py
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Expand Up @@ -816,6 +816,7 @@ def test_r2scan(self):
scan = MatPESStaticSet(self.struct, xc_functional="R2SCAN")
incar_scan = scan.incar
assert incar_scan["METAGGA"] == "R2scan"
assert incar_scan.get("GGA") is None
assert incar_scan["ALGO"] == "All"
assert incar_scan.get("LDAU") is None
# test POTCAR files are default PBE_54 PSPs and functional
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