Correlations in sequences of generalized eigenproblems arising in density functional theory
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Publication:350730
DOI10.1016/j.cpc.2012.03.006zbMath1351.81018arXiv1108.2594OpenAlexW2004286430MaRDI QIDQ350730
Stefan Blügel, Edoardo Di Napoli, Paolo Bientinesi
Publication date: 12 December 2016
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1108.2594
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Block iterative eigensolvers for sequences of correlated eigenvalue problems ⋮ More robust Chebyshev filtering for SCF iteration, with applications in real-space DFT ⋮ Computing Petaflops over Terabytes of Data
Uses Software
Cites Work
- A block Chebyshev-Davidson method with inner-outer restart for large eigenvalue problems
- Self-consistent-field calculations using Chebyshev-filtered subspace iteration
- Block Krylov-Schur method for large symmetric eigenvalue problems
- Thick-Restart Lanczos Method for Large Symmetric Eigenvalue Problems
- LAPACK Users' Guide
- ScaLAPACK Users' Guide
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