First-principles investigations of diffusion of hydrogen in $\alpha$-Y and $\delta$-YH$_{2}$
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https://data.mendeley.com/datasets/hh5n9frpb5
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资源简介：
The original input and output files of the calculations using VASP. The OUTCAR and POTCAR have been deleted to reduce the file size. The structures have been optimized(relaxed). The meaning of the files can be guessed easily based on the file/folder names.
创建时间：
2025-01-27
