Software

FZJ-2023-01974

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png FLEUR

Wortmann, D. (Corresponding author)FZJ* ; Michalicek, G. (Corresponding author)FZJ* ; Baadji, N. ; Betzinger, M. ; Bihlmayer, G.FZJ* ; Bröder, J.FZJ* ; Burnus, T.FZJ* ; Enkovaara, J. ; Freimuth, F.FZJ* ; Friedrich, C.FZJ* ; Gerhorst, C.-R.FZJ* ; Granberg Cauchi, S.FZJ* ; Grytsiuk, U.FZJ* ; Hanke, A. ; Hanke, J.-P. ; Heide, M. ; Heinze, S. ; Hilgers, R.FZJ* ; Janssen, H.FZJ* ; Klüppelberg, D. A. ; Kovacik, R.FZJ* ; Kurz, P. ; Lezaic, M.FZJ* ; Madsen, G. K. H. ; Mokrousov, Y.FZJ* ; Neukirchen, A.FZJ* ; Redies, M. ; Rost, S. ; Schlipf, M. ; Schindlmayr, A. ; Winkelmann, M.FZJ* ; Blügel, S.FZJ*

2023

This record in other databases:

Please use a persistent id in citations: doi:10.5281/ZENODO.7891361

Abstract: FLEUR is an all-electron DFT code based on the full-potential linearized augmented plane-wave method (FLAPW). It is mainly developed at the Forschungsentrum Jülich, Germany and available for the materials research community.

Keyword(s): DFT ; All-electron ; FLAPW ; Density functional theory ; FLEUR

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)

Research Program(s):

1. 5211 - Topological Matter (POF4-521) (POF4-521)
2. MaX - MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design (824143) (824143)
3. Helmholtz Platform for Research Software Engineering - Preparatory Study (HiRSE_PS-20220812) (HiRSE_PS-20220812)

Appears in the scientific report 2023

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