Citation: | Zhen-lin Zhang, Shi-zhe Jiao, Jie-lan Li, Wen-tiao Wu, Ling-yun Wan, Xin-ming Qin, Wei Hu, Jin-long Yang. KSSOLV-GPU: an Efficient GPU-Enabled MATLAB Toolbox for Solving the Kohn-Sham Equations within Density Functional Theory in Plane-Wave Basis Set†[J]. Chinese Journal of Chemical Physics , 2021, 34(5): 552-564. doi: 10.1063/1674-0068/cjcp2108139 |
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