Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism

DOI10.1016/j.cpc.2010.07.036zbMath1219.81270OpenAlexW2109495657MaRDI QIDQ548943

Yong-Cai Geng, Sumit K. Garg

Publication date: 30 June 2011

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2010.07.036

zbMATH Keywords

electronic structure codesprojector augmented wave (PAW)

Mathematics Subject Classification ID

Related Items (1)

Implementation of the Projector Augmented-Wave Method: The Use of Atomic Datasets in the Standard PAW-XML Format

Uses Software

• WIEN2k
• ABINIT
• Quantum Espresso
• AtomPAW
• Pwpaw

Cites Work

• The Compressibility of Media under Extreme Pressures
• A projector augmented wave (PAW) code for electronic structure calculations. I: Atompaw for generating atom-centered functions
• A projector augmented wave (PAW) code for electronic structure calculations. II: Pwpaw for periodic solids in a plane wave basis

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