RVO supporting data
收藏Figshare2016-01-20 更新2026-04-08 收录
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https://figshare.com/articles/dataset/RVO_supporting_data/1468388/1
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资源简介：
Supporting data for a novel optimisation approach, usind data from inexpensive exchange-correlation functionals to correct the volume estimates for more expensive methods. Output files and energy-volume data from density functional theory (DFT) calculations with VASP and FHI-aims quantum chemistry codes.
创建时间：
2015-10-23
