DFT and MTP Calculations for HKUST-1
收藏DataCite Commons2024-02-20 更新2024-07-13 收录
下载链接：
https://repository.tugraz.at/doi/10.3217/4rwvv-n5j05
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资源简介：
Supplementary data including input and output files of VASP, FHI-aims and MLIP calculations are provided.
For detailed descriptions and clearer results, please consult the main paper and its Supplementary Materials.
提供机构：
Graz University of Technology
创建时间：
2024-02-20
