Siesta

General information

Spanish Initiative for Electronic Simulation with Thousands Atoms. DFT based simulation program for solids and molecules. It can be used for molecular dynamics and relaxations. It uses localized orbitals that allow to make calculations with large number of atoms. The academic license is freely distributed but it is necessary to ask for a license. The 3.0rc1 version is installed in the x87_64 nodes and the 2.0.1 in the Itanium nodes.

How to send siesta

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More information

Siesta home page.

Siesta online manual.