Siesta¶

General information¶

Installed versions¶

For software provided as an Lmod module, use the documentation search function and search for Lmod module to learn how to load it in your environment.

SIESTA is both a 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 a basis set of strictly-localized atomic orbitals. 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 methods.

For more information, please visit https://siesta-project.org/siesta/About/overview.html.