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"CALANIE: Anisotropic elastic correction to the total energy, to mitigate ..."

Pui-Wai Ma, S. L. Dudarev (2020)

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DOI: 10.1016/J.CPC.2019.107130

access: closed

type: Journal Article

metadata version: 2020-05-22

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Pui-Wai Ma, S. L. Dudarev:
CALANIE: Anisotropic elastic correction to the total energy, to mitigate the effect of periodic boundary conditions. Comput. Phys. Commun. 252: 107130 (2020)

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