11 lines
660 B
Text
11 lines
660 B
Text
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SIESTA is both a method and its computer program implementation, to perform
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efficient electronic structure calculations and ab initio molecular dynamics
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simulations of molecules and solids. SIESTA's efficiency stems from the use of
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strictly localized basis sets and from the implementation of linear-scaling
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algorithms which can be applied to suitable systems. A very important feature
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of the code is that its accuracy and cost can be tuned in a wide range, from
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quick exploratory calculations to highly accurate simulations matching the
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quality of other approaches, such as plane-wave and all-electron methods.
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WWW: https://departments.icmab.es/leem/siesta/
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