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收藏PyPWDFT: A Lightweight Python Software for Single-Node 10K Atom Plane-Wave Density Functional Theory Calculations
Gao, Jun; Fu, Lizhong; Jiao, Shizhe; Zhang, Zhenlin; Chen, Sheng; Zhang, Zhiyuan; Wu, Wentiao; Wan, Lingyun; Li, Jielan; Hu, Wei; Yang, Jinlong
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