GitHub - xinming365/DFT-learning: Notes on valuable and unfamiliar knowledge and codes for exercise in the process of learning DFT.

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Notes on valuable and unfamiliar knowledge and codes for exercise in the process of learning DFT.

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The notes for learning Density Functional Theory

输入文件脚本
不同材料体系
参数学习

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Notes on valuable and unfamiliar knowledge and codes for exercise in the process of learning DFT.

dft

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