Dataset for: Anniés et al., "Accessing structural, electronic, transport and mesoscale properties of Li-GICs via a complete DFTB-model with machine-learned repulsion potential"
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资源简介：
GPrep training data, GPrep jupyter notebook, .skf files. The GPrep code is available at https://doi.org/10.5281/zenodo.3697913
提供机构：
Zenodo创建时间：
2021-11-01
