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CITATION.cff
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cff-version: "1.2.0"
authors:
- family-names: Kavanagh
given-names: Seán R.
orcid: "https://orcid.org/0000-0003-4577-9647"
- family-names: Squires
given-names: Alexander G.
orcid: "https://orcid.org/0000-0001-6967-3690"
- family-names: Nicolson
given-names: Adair
orcid: "https://orcid.org/0000-0002-8889-9369"
- family-names: Mosquera-Lois
given-names: Irea
orcid: "https://orcid.org/0000-0001-7651-0814"
- family-names: Ganose
given-names: Alex M.
orcid: "https://orcid.org/0000-0002-4486-3321"
- family-names: Zhu
given-names: Bonan
orcid: "https://orcid.org/0000-0001-5601-6130"
- family-names: Brlec
given-names: Katarina
orcid: "https://orcid.org/0000-0003-1485-1888"
- family-names: Walsh
given-names: Aron
orcid: "https://orcid.org/0000-0001-5460-7033"
- family-names: Scanlon
given-names: David O.
orcid: "https://orcid.org/0000-0001-9174-8601"
contact:
- family-names: Kavanagh
given-names: Seán R.
orcid: "https://orcid.org/0000-0003-4577-9647"
doi: 10.5281/zenodo.10957359
message: If you use this software, please cite our article in the
Journal of Open Source Software.
preferred-citation:
authors:
- family-names: Kavanagh
given-names: Seán R.
orcid: "https://orcid.org/0000-0003-4577-9647"
- family-names: Squires
given-names: Alexander G.
orcid: "https://orcid.org/0000-0001-6967-3690"
- family-names: Nicolson
given-names: Adair
orcid: "https://orcid.org/0000-0002-8889-9369"
- family-names: Mosquera-Lois
given-names: Irea
orcid: "https://orcid.org/0000-0001-7651-0814"
- family-names: Ganose
given-names: Alex M.
orcid: "https://orcid.org/0000-0002-4486-3321"
- family-names: Zhu
given-names: Bonan
orcid: "https://orcid.org/0000-0001-5601-6130"
- family-names: Brlec
given-names: Katarina
orcid: "https://orcid.org/0000-0003-1485-1888"
- family-names: Walsh
given-names: Aron
orcid: "https://orcid.org/0000-0001-5460-7033"
- family-names: Scanlon
given-names: David O.
orcid: "https://orcid.org/0000-0001-9174-8601"
date-published: 2024-04-15
doi: 10.21105/joss.06433
issn: 2475-9066
issue: 96
journal: Journal of Open Source Software
publisher:
name: Open Journals
start: 6433
title: "doped: Python toolkit for robust and repeatable charged defect
supercell calculations"
type: article
url: "https://joss.theoj.org/papers/10.21105/joss.06433"
volume: 9
title: "doped: Python toolkit for robust and repeatable charged defect
supercell calculations"