Block iterative eigensolvers for sequences of correlated eigenvalue problems

DOI10.1016/j.cpc.2013.06.017zbMath1349.81016arXiv1206.3768MaRDI QIDQ340074

Mohammad Hasan, M. Dambrine

Publication date: 11 November 2016

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

Full work available at URL: https://arxiv.org/abs/1206.3768

zbMATH Keywords

density functional theory; block iterative eigensolvers; eigensolver performance; FLAPW; sequence of generalized eigenproblems

Mathematics Subject Classification ID

81-08: Computational methods for problems pertaining to quantum theory

65N25: Numerical methods for eigenvalue problems for boundary value problems involving PDEs

Uses Software

• LAPACK
• ScaLAPACK
• WIEN2k
• FLEUR
• exciting
• Elk
• PARSEC