Huitao Bai

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On-the-Fly Optimization of the Lattice Parameter with Symmetry Constraint for High Throughput Calculation

Number of pages: 13 Posted: 17 Aug 2023
Bo Wang, Li Xu, Cun Wang, Xuechun Wang, Yijie Hou, Peng Sheng, Shengyi Li, Huitao Bai, Hui Li, Qing Xue and Yumin Qian(钱玉敏)
University of Minnesota - Twin Cities, affiliation not provided to SSRN, Beijing Institute of Technology, Beijing Institute of Technology, Beijing Institute of Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Beijing Institute of Technology
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AxisOpt, selective cell shape relaxation, high-throughput calculation