The Vienna Ab initio Simulation Package, VASP, is a program package for ab-initio quantum-mechanical molecular dynamics (MD) simulations and electronic structure calculations, from first principles.
Availability and Restrictions
However, we are available to assist with the configuration of individual research-group installations on all our systems. See the The VASP FAQ page or contact OSC Help for information regrading licensing.
See the VASP documentation page for tutorial materials.