Research data supporting "Structural and vibrational properties of lithium under ambient conditions within density functional theory"
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下载链接：
https://www.repository.cam.ac.uk/handle/1810/285564
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资源简介：
Helmholtz free energies resulting from DFT calculations of Li phases. Results of ab initio random structure searching (AIRSS) calculations. Analysis scripts. All presented in "Structural and vibrational properties of lithium under ambient conditions withindensity functional theory". See individual folders for README files.
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2018-10-22
