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DFToutputfilesSennJACS2016.zip

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Figshare2016-03-03 更新2026-04-08 收录
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Output files and pseudopotentials for density functional theory (DFT) calculations associated with the publication 'Symmetry Switching of Negative Thermal Expansion by Chemical Control' by Mark Senn et al. The DFT calculations were performed with the Abinit code version 7.2.2 which is available at http://www.abinit.org/downloads/packages/7-2.2

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2016-03-03
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