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• W2159766802 abstract "In this paper, a framework of using h-adaptive finite element method for the Kohn–Sham equation on the tetrahedron mesh is presented. The Kohn–Sham equation is discretized by the finite element method, and the h-adaptive technique is adopted to optimize the accuracy and the efficiency of the algorithm. The locally optimal block preconditioned conjugate gradient method is employed for solving the generalized eigenvalue problem, and an algebraic multigrid preconditioner is used to accelerate the solver. A variety of numerical experiments demonstrate the effectiveness of our algorithm for both the all-electron and the pseudo-potential calculations." @default.
• W2159766802 created "2016-06-24" @default.
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• W2159766802 date "2012-05-01" @default.
• W2159766802 modified "2023-10-16" @default.
• W2159766802 title "An h-adaptive finite element solver for the calculations of the electronic structures" @default.
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• W2159766802 doi "https://doi.org/10.1016/j.jcp.2012.04.002" @default.
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