Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 20, Issue 6, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/20/6/064208
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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.
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