Elimination of the linearization error and improved basis-set convergence within the FLAPW method

DOI10.1016/J.CPC.2013.07.002zbMath1344.65106arXiv1302.3130OpenAlexW2094511196MaRDI QIDQ313922

Markus Betzinger, Stefan Blügel, Gregor Michalicek, Christoph Friedrich

Publication date: 12 September 2016

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1302.3130

zbMATH Keywords

density functional theorylinearization errorlinearized augmented plane wave method

Mathematics Subject Classification ID

Error bounds for boundary value problems involving PDEs (65N15)

Cites Work

• The Compressibility of Media under Extreme Pressures

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