Emilio Artacho et al 2008 J. Phys.: Condens. Matter 20 064208 doi:10.1088/0953-8984/20/6/064208
Emilio Artacho1,2,10, E Anglada3, O Diéguez4, J D Gale5, A García4, J Junquera6, R M Martin7, P Ordejón8, J M Pruneda4, D Sánchez-Portal9 and J M Soler3
Show affiliationsRecent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on (i) the applicability of the method for large and varied systems, (ii) efficient basis sets for the standards of accuracy of density-functional methods, (iii) new implementations, and (iv) extensions beyond ground-state calculations.
63.20.D- Phonon states and bands, normal modes, and phonon dispersion
61.72.Bb Theories and models of crystal defects
71.45.Gm Exchange, correlation, dielectric and magnetic response functions, plasmons
Condensed matter: electrical, magnetic and optical
Issue 6 (13 February 2008)
Received 4 November 2007
Published 24 January 2008
Emilio Artacho et al 2008 J. Phys.: Condens. Matter 20 064208
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