Software - VASP


General Information

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.


In general, VASP is installed in the user or project group areas - due to the license management of VASP, it should be only reachable for persons/groups purchased a valid license.

VASP on HPC-clusters

Please take into account the information about VASP collected by HKHLR in regard of the use on HPC cluster (download section on the right of this site). Before submitting a larger job on a High Performance Computer for the first time, please contact our experts!

Hessian HPC VASP user

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