General information about 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.

For more information see:


VASP is not free software and requires a software license. VASP licenses are managed in SUPR. All people who want to use VASP should have SUPR accounts and be a member of a VASP group in SUPR. VASP groups have owners, typically a principal investigator of a project, and that owner can add and remove people using the SUPR interface. If you are Ph.D student, we suggest that you check with your supervisor.


PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.

Installed software

How to use
How to build