SIESTA

 

SIESTA  performs efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.

Documentation

 

Usage

To see what versions of SIESTA are available type

module avail Siesta

To see what other modules are needed, what commands are available and how to get additional help type

module help Siesta

To use SIESTA, include a command like this in your batch script or interactive session to load the SIESTA module:

module load Siesta

Be sure you also load any other modules needed, as listed by the module help Siesta command.