An \(h\)-adaptive finite element solver for the calculations of the electronic structures

DOI10.1016/j.jcp.2012.04.002zbMath1245.65125OpenAlexW2159766802MaRDI QIDQ440645

Di Liu, Guanghui Hu, Gang Bao

Publication date: 19 August 2012

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2012.04.002

zbMATH Keywords

finite element methoddensity functional theory\(h\)-adaptiveKohnSham equation

Mathematics Subject Classification ID

Finite element, Rayleigh-Ritz and Galerkin methods for initial value and initial-boundary value problems involving PDEs (65M60)

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Uses Software

• Gmsh
• BLOPEX
• KSSOLV
• Libxc
• OCTOPUS
• lobpcg.m
• APE

Cites Work

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