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pymatgen-notebook


This repo. will demonstrate how pymatgen works and how we use it to accerate our calculations. Contributions from you are welcome and will be important for the computational materials community, I am gratefull to your 'pull request'.

Materialsvirtuallab also maintains a notebook for pymatgen--matgenb. pymatgen-notebook is very different from matgenb owning to my personal taste in materials research, although some contents and the architecture of matgenb are referenced. Anyway, thanks should go to the contributors of matgenb.

Y.-W. Fang

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