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Hubbard correction When install dpgen, succeeded, but the pymatgen path and version is Pymatgen version: 2022.3.24 -- transformedstructure.structures didn't
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Pymatgen.analysis.gb.grain.py generates strange structures with normalPymatgen.analysis.gb.grain.py generates strange structures with normal Pymatgen api的使用-高通量计算初探Pymatgen api的使用-高通量计算初探.
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[diagram] radiology workflow diagram【持续更新】如何用pymatgen获得d-band center,d-band filling,d-band width(1) .
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