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feat: add workflow for Quasi-harmonic Approximation#118

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ZeHeru:yzhu/qha_workflow
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feat: add workflow for Quasi-harmonic Approximation#118
ZeHeru wants to merge 1 commit into
microsoft:mainfrom
ZeHeru:yzhu/qha_workflow

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@ZeHeru

@ZeHeru ZeHeru commented Jun 9, 2025

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@ZeHeru ZeHeru requested a review from yanghan234 June 9, 2025 05:36
@ZeHeru

ZeHeru commented Jun 9, 2025

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@microsoft-github-policy-service agree

@Andrew-S-Rosen

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Is this implementation correct? It looks like relaxations (at fixed cell volume) are not being carried out for each deformed structure.

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2 participants