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Article

Segall, M.D. and Lindan, Philip J. D. and Probert, M.J. and Pickard, C.J. and Hasnip, P.J. and Clarke, Stuart J. and Payne, M.C. (2002) First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics: Condensed Matter, 14 (11). pp. 2717-2744. ISSN 0953-8984. (The full text of this publication is not available from this repository)

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