Electronic and optical excitations of K-Sb and Na-Sb crystals
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下载链接：
https://zenodo.org/record/14510457
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资源简介：
This dataset contains results from DFT, G0W0 and BSE for 8 different alkali-antimony crystals.
All calculations were performed with the code 'exciting'. Larger intermediate files are excluded to reduce the file size, but can be reproduced with the available input files.
The dataset belongs to the identically named publication. Further computational details are available there.
创建时间：
2024-12-17
