SIESTA (computer program): Difference between revisions

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{{redirect|SIESTA|other uses|Siesta (disambiguation)}}
 
[[File:SIESTA logo TM.jpg|right|thumb|SIESTA]]
{{Infobox software
| name = SIESTA
| logo = SIESTA logo TM.jpg
| logo caption =
| logo alt = SIESTA TM logo
| logo size =
| collapsible = <!-- Any text here will collapse the screenshot. -->
| screenshot = <!-- File name without 'File:' -->
| screenshot size =
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| author =
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| released = {{Start date and age|1996|df=yes}}
| ver layout = <!-- simple (default) or stacked -->
| discontinued = <!-- Set to yes, if software is discontinued, otherwise omit. -->
| latest release version = 4.0.2<ref>{{cite web|url=https://siesta-project.org/siesta/2018/07/19/release-4.0.2.html|title=Release of Siesta-4.0.2.}}</ref>
| latest release date = {{Start date and age|2018|07|19|df=yes}}
| latest preview version = 4.1-b4<ref>{{cite web|url=https://siesta-project.org/siesta/2018/11/04/release-4.1-b4.html|title=Release of Siesta-4.1-b4.}}</ref>
| latest preview date = {{Start date and age|2018|11|04|df=yes}}
| repo = {{URL|https://gitlab.com/siesta-project/siesta/}}
| qid = Q7390304
| programming language = [[Fortran]]
| middleware =
| tools =
| engine = <!-- or |engines= -->
| operating system =
| platform =
| included with =
| replaces =
| replaced_by =
| service_name =
| size =
| standard =
| language = English
| language count = <!-- Number only -->
| language footnote =
| genre = [[Computational Chemistry]]
| license = [[GPLv3]]
| website = {{URL|siesta-project.org}}
| AsOf = {{2021|01}}
}}
 
'''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.