The SIESTA method; Developments and applicability

Emilio Artacho, E. Anglada, O. Diéguez, J. D. Gale, A. García, J. Junquera, R. M. Martin, P. Ordejón, J. M. Pruneda, D. Sánchez-Portal, J. M. Soler

Research output: Contribution to journalArticlepeer-review

Abstract

Recent 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.

Original languageEnglish
Article number064208
JournalJournal of Physics Condensed Matter
Volume20
Issue number6
DOIs
StatePublished - 13 Feb 2008
Externally publishedYes

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