Parallel 3-dim fast Fourier transforms with load balancing of the plane waves

DOI10.1016/j.cpc.2016.07.001zbMath1380.65456arXiv1601.07378OpenAlexW2461271550WikidataQ104006752 ScholiaQ104006752MaRDI QIDQ1686966

Xingyu Gao, Haifeng Song, Jun Fang, Han Wang, Ze-Yao Mo

Publication date: 18 December 2017

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

Full work available at URL: https://arxiv.org/abs/1601.07378

zbMATH Keywords

plane wavefast Fourier transformload balancingKohn-Sham equationfirst-principles calculation

Mathematics Subject Classification ID

Numerical methods for discrete and fast Fourier transforms (65T50) Parallel numerical computation (65Y05) Applications to the sciences (65Z05)

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Cites Work

• Parallel fast Fourier transforms for electronic structure calculations
• Some improvements in practical Fourier analysis and their application to X-ray scattering from liquids
• Toward the Optimal Preconditioned Eigensolver: Locally Optimal Block Preconditioned Conjugate Gradient Method