VASP

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.

VASP Licensing

Due to the licensing conditions, VASP is only available to authorised users. This help page is provided to those users.

More Information

For more information visit the VASP website.

Available Versions

These versions of VASP are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.