From Densities to Potentials: Benchmarking Local Exchange-Correlation Approximations [dataset]
收藏DataCite Commons2025-10-29 更新2026-04-25 收录
下载链接：
http://collections.durham.ac.uk/files/r2q811kj67b
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资源简介：
Data is grouped by material for both CASTEP and CASINO runs. Data used for plots in the supplementary material are in the supp_convg_poten directory.
提供机构：
Durham University
创建时间：
2025-10-29
