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SIESTA (computer program)
SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is an original method and a software implementation for performing electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.
Additional recommended knowledge
Properties that can be predicted using the code include Kohn-Sham band-structures, electron density, and Mulliken populations.
|This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "SIESTA_(computer_program)". A list of authors is available in Wikipedia.|