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

Segall, MD; Lindan, PJD; Probert, MJ; Pickard, CJ; Hasnip, PJ; Clark, SJ; Payne, MC

Authors

MD Segall

PJD Lindan

MJ Probert

CJ Pickard

PJ Hasnip

MC Payne



Citation

Segall, M., Lindan, P., Probert, M., Pickard, C., Hasnip, P., Clark, S., & Payne, M. (2002). First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics: Condensed Matter, 14(11), 2717-2744. https://doi.org/10.1088/0953-8984/14/11/301

Journal Article Type Article
Publication Date 2002
Deposit Date Jan 31, 2012
Journal Journal of Physics: Condensed Matter
Print ISSN 0953-8984
Electronic ISSN 1361-648X
Publisher IOP Publishing
Volume 14
Issue 11
Pages 2717-2744
DOI https://doi.org/10.1088/0953-8984/14/11/301