KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set

Shizhe Jiao, Zhenlin Zhang, Kai Wu, Lingyun Wan, Huanhuan Ma, Jielan Li, Sheng Chen, Xinming Qin, Jie Liu, Zijing Ding, Jinlong Yang, Yingzhou Li, Wei Hu 0006, Lin Lin, Chao Yang 0001. KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set. Computer Physics Communications, 279:108424, 2022. [doi]

Abstract

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