Compute Canada

Siesta

Version: 
3.0 (serial)
Location: 
/opt/siesta

SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is both a method and its computer program implementation, to perform electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. It is mainly used for linear-scaling ab-initio calculations for large and complex systems. At present, only the serial version of the program is installed.