Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets
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Publication:2100565
DOI10.1016/j.cpc.2017.08.008MaRDI QIDQ2100565
Valentin V. Karasiev, S. B. Trickey, L. Calderín
Publication date: 24 November 2022
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1707.08437
plane wave; electron transport; electrical conductivity; Kohn-Sham density functional theory; Kubo-Greenwood; projector augmented wave
82-XX: Statistical mechanics, structure of matter
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