doped: Python toolkit for robust and repeatable charged defect supercell calculations

Fuente: arXiv

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Bibliographic Details
Main Authors:	Kavanagh, Seán R., Squires, Alexander G., Nicolson, Adair, Mosquera-Lois, Irea, Ganose, Alex M., Zhu, Bonan, Brlec, Katarina, Walsh, Aron, Scanlon, David O.
Format:	Preprint
Published:	2024
Subjects:	Materials Science Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2403.08012