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CITATION.cff
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cff-version: 1.2.0
title: FLEUR
message: >-
If you use this software, please cite it using the
metadata from this file.
type: software
authors:
- given-names: Daniel
family-names: Wortmann
email: d.wortmann@fz-juelich.de
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0002-2248-1904'
- given-names: Gregor
family-names: Michalicek
email: g.michalicek@fz-juelich.de
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0003-4719-188X'
- given-names: Nadjib
family-names: Baadji
orcid: 'https://orcid.org/0000-0002-0630-2398'
- given-names: Wejdan
family-names: Beida
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0009-0009-3909-8619'
- given-names: Markus
family-names: Betzinger
- given-names: Gustav
family-names: Bihlmayer
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0002-6615-1122'
- given-names: Thomas
family-names: Bornhake
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0009-0002-8467-7029'
- given-names: Jens
family-names: Bröder
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0001-7939-226X'
- given-names: Tobias
family-names: Burnus
orcid: 'https://orcid.org/0000-0002-3206-2797'
- given-names: Jussi
family-names: Enkovaara
orcid: 'https://orcid.org/0000-0002-7596-2891'
- given-names: Frank
family-names: Freimuth
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0001-6193-5991'
- given-names: Christoph
family-names: Friedrich
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0002-3315-7536'
- given-names: Christian-Roman
family-names: Gerhorst
orcid: 'https://orcid.org/0000-0001-8984-4258'
- given-names: Sabastian
family-names: Granberg Cauchi
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0003-0805-3564'
- given-names: Uliana
family-names: Grytsiuk
orcid: 'https://orcid.org/0000-0003-3231-6192'
- given-names: Andrea
family-names: Hanke
orcid: 'https://orcid.org/0000-0003-3439-3706'
- given-names: Jan-Philipp
family-names: Hanke
orcid: 'https://orcid.org/0000-0002-2113-7829'
- given-names: Marcus
family-names: Heide
- given-names: Stefan
family-names: Heinze
affiliation: >-
Institute of Theoretical Physics and Astrophysics,
University of Kiel, D-24098 Kiel, Germany
orcid: 'https://orcid.org/0000-0001-5852-0082'
- given-names: Robin
family-names: Hilgers
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0002-3443-5032'
- given-names: Henning
family-names: Janssen
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0003-3558-9487'
- given-names: Daniel Aaaron
family-names: Klüppelberg
- given-names: Roman
family-names: Kovacik
orcid: 'https://orcid.org/0000-0002-2780-547X'
- given-names: Philipp
family-names: Kurz
- given-names: Marjana
family-names: Lezaic
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0002-7318-9444'
- given-names: Georg K. H.
family-names: Madsen
orcid: 'https://orcid.org/0000-0001-9844-9145'
- given-names: Yuriy
family-names: Mokrousov
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0003-1072-2421'
- given-names: Alexander
family-names: Neukirchen
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0002-0971-8735'
- given-names: Matthias
family-names: Redies
orcid: 'https://orcid.org/0000-0002-6780-6821'
- given-names: Stefan
family-names: Rost
orcid: 'https://orcid.org/0000-0002-3887-4040'
- given-names: Martin
family-names: Schlipf
orcid: 'https://orcid.org/0000-0003-3198-0497'
- given-names: Arno
family-names: Schindlmayr
orcid: 'https://orcid.org/0000-0002-4855-071X'
- given-names: Miriam
family-names: Winkelmann
orcid: 'https://orcid.org/0000-0002-1072-7516'
- given-names: Stefan
family-names: Blügel
email: s.bluegel@fz-juelich.de
affiliation: >-
Institute for Advanced Simulation,
Forschungszentrum Jülich, 52425 Jülich, Germany
orcid: 'https://orcid.org/0000-0001-9987-4733'
identifiers:
- type: doi
value: 10.5281/zenodo.7576163
description: DOI of the software publication on zenodo, should always point the the most recent release
repository-code: 'https://iffgit.fz-juelich.de/fleur/fleur'
url: 'https://www.flapw.de'
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.
keywords:
- DFT
- All-electron
- FLAPW
- Density functional theory
- FLEUR
license: MIT