SIESTA (computer program): Difference between revisions

Revision as of 18:47, 26 January 2018

Revision as of 17:00, 6 February 2018

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[[File:SIESTA logo TM.jpg|center|thumb|SIESTA]]

{{redirect|SIESTA|other uses|Siesta (disambiguation)}}

'''SIESTA''' ('''Spanish Initiative for Electronic Simulations with Thousands of Atoms''') is an original method and its computer program implementation, to perform efficient [[electronic structure]] calculations and [[ab initio]] [[molecular dynamics]] simulations of [[molecules]] and solids. SIESTA's efficiency stems from the use of strictly localized basis sets and from the implementation of linear-scaling algorithms which can be applied to suitable systems. A very important feature of the code is that its accuracy and cost can be tuned in a wide range, from quick exploratory calculations to highly accurate simulations matching the quality of other approaches, such as plane-wave and all-electron methods.