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First-principles simulation: ideas, illustrations and the CASTEP code

By Segall, M D; Lindan, Philip J D; Probert, M J; Pickard, C J; Hasnip, P J; Clark, S J; Payne, M C

Publication Date: 2002

Journal: Journal of Physics: Condensed Matter

Volume: 14

Issue: 11

Page: 2717

ISSN: 0953-8984

Resource: Article

DOI: 10.1088/0953-8984/14/11/301

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