The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

Journal of Physics Condensed Matter - Tập 14 Số 11 - Trang 2745-2779 - 2002
José M. Soler1, Emilio Artacho2, Julian D. Gale3, Alberto Garcı́a4, Javier Junquera1,5, Pablo Ordejón6, Daniel Sánchez‐Portal7
1Dep. de Física de la Materia Condensada,#N#C-III, Universidad Autónoma de Madrid, E-28049 Madrid,#N#Spain
2Department of Earth Sciences, University of Cambridge, Downing St, Cambridge CB2 3EQ, UK
3Department of Chemistry, Imperial College of Science, Technology and Medicine, South Kensington SW7 2AY, UK
4Departamento de Física de la Materia Condensada, Universidad del País Vasco, Apt. 644, 48080 Bilbao, Spain
5Institut de Physique, Bâtiment B5, Université de Liège, B-4000 Sart-Tilman, Belgium
6Institut de Ciència de Materials de Barcelona-CSIC, Campus de la UAB, Bellaterra 08193, Barcelona, Spain
7Dep. de Física de Materiales and DIPC,#N#Facultad de Química, UPV/EHU, Apt. 1072, 20080 Donostia,#N#Spain

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Journal of Physics Condensed Matter

Tập 14 Số 11

2745-2779

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