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Add yaml for smoothPES correction#4581

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shyuep merged 3 commits intomaterialsproject:masterfrom
CompRhys:smooth-pes-correction-scheme
Feb 9, 2026
Merged

Add yaml for smoothPES correction#4581
shyuep merged 3 commits intomaterialsproject:masterfrom
CompRhys:smooth-pes-correction-scheme

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@CompRhys CompRhys commented Feb 4, 2026

Adds minimal addition to incorporate https://arxiv.org/abs/2601.21056 into pmg.

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CompRhys commented Feb 4, 2026

@flt17 @ThomasWarford

Please check that there's nothing wrong with this PR. I took the values from the table in SI an assumed that you omit all oxide and anion corrections hence why they've been set to zero.

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This all looks good to me! Thanks for putting this in

@shyuep shyuep merged commit 4ab95fa into materialsproject:master Feb 9, 2026
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shyuep commented Feb 9, 2026

Thanks!

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3 participants