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Messages - abhinav

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General Questions and Answers / Geometry optimization using HSE06 DDH
« on: February 12, 2026, 07:17 »
Why am I unable to use HSE06MetallicLocalDDH, HSE06LocalDDH, or HSE06DDH for the "OptimizeGeometry " module? It shows that OptimizeGeometry requires forces/stress, but the calculator does not allow them. Is there any other way to do that? FYI, I'm working on MXene.

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