The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.

More Information

For more information visit the VASP website.

Available Versions

These versions of VASP are available on Baskerville. These will be retained in accordance with our Applications Support and Retention Policy.

Version Bask Apps Env
6.3.2-nvofbf-2022.07 live