Dielctric functions calculated within LDA+U RPA framework using GPAW code
收藏Mendeley Data2020-01-31 更新2026-04-09 收录
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https://data.mendeley.com/datasets/5cw4fcc296/1
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资源简介：
LDA+U approach allows to estimate dielectric functions of d-metals with high precision. The python script (*.py file) provides an example of calculation. Calculated dielectric functions are also uploaded as *.dat files. The *.cif files are the crystallographic data obtained from COD required to reproduce the calculations.
创建时间：
2020-01-31
