High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods
From MaRDI portal
Publication:1686969
DOI10.1016/j.cpc.2016.10.003zbMath1376.65067arXiv1602.06589OpenAlexW2282110028MaRDI QIDQ1686969
Paolo Bientinesi, Elmar Peise, Edoardo Di Napoli, Markus Hrywniak
Publication date: 18 December 2017
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1602.06589
density functional theoryhigh-performance computingperformance portabilitydense linear algebraFLAPW methodsmatrix generation
Lua error in Module:PublicationMSCList at line 37: attempt to index local 'msc_result' (a nil value).
Related Items (2)
High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods ⋮ The LAPW Method with Eigendecomposition Based on the Hari--Zimmermann Generalized Hyperbolic SVD
Uses Software
Cites Work
- Unnamed Item
- Unnamed Item
- Block iterative eigensolvers for sequences of correlated eigenvalue problems
- A primer in density functional theory. Lectures from the second Coimbra school on computational physics, Caramulo Mountains, Portugal, August 28 --September 1, 2001
- Improving the efficiency of FP-LAPW calculations
- Parallelization of the FLAPW method
- High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods
- Iterative diagonalization in augmented plane wave based methods in electronic structure calculations
- Elemental
- Accumulating Householder transformations, revisited
- The WY Representation for Products of Householder Matrices
This page was built for publication: High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods
