Beating the Egg-box Effect in Plane-Wave DFT Simulations

Durham, Ben, Probert, Matt orcid.org/0000-0002-1130-9316 and Hasnip, Philip James orcid.org/0000-0002-4314-4093 (2025) Beating the Egg-box Effect in Plane-Wave DFT Simulations. Electronic Structure. 025004. ISSN 2516-1075

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Item Type: Article
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Copyright, Publisher and Additional Information:

© 2025 The Author(s).

Dates:
  • Accepted: 13 March 2025
  • Published: 7 May 2025
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Physics (York)
Depositing User: Pure (York)
Date Deposited: 07 May 2025 09:00
Last Modified: 04 Jun 2025 13:40
Published Version: https://doi.org/10.1088/2516-1075/adc056
Status: Published
Refereed: Yes
Identification Number: 10.1088/2516-1075/adc056
Open Archives Initiative ID (OAI ID):

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Filename: Durham_2025_Electron._Struct._7_025004.pdf

Description: Beating the egg-box effect in plane-wave DFT simulations

Licence: CC-BY 2.5

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