DFT + U simulation of the X-ray absorption near-edge structure of bulk UO2 and PuO2
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https://data.mendeley.com/datasets/v2x87s8sy9
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资源简介：
Input files for typical calculations in WIEN2k for this work, UO2 and PuO2 unitcell, UO2 and PuO2 supercell for U/Pu LIII edge and O K edge simulations.
创建时间：
2023-05-03
