Ab initio GGA+U investigations of intrinsic point defects and Xe diffusion in uranium mononitride
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https://data.mendeley.com/datasets/nm3pcbm894
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资源简介：
Original input and output of calculation using 4*4*4 supercell and 2*2*2 kpoint. Meaning of the content can be guessed according to the names of the files. For example, nebIn is CI-NEB calculation of nitrogen interstitial In.
创建时间：
2024-07-23
