Software - VASP

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.

https://www.vasp.at/

Availabilty/Licenses

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 staff@hpc-hessen.de!

Hessian HPC VASP user

 Please register for the mailing list:

https://lists.tu-darmstadt.de/mailman/listinfo/hkhlr-vasp-users

This is a moderated list. It is not intended for discussion, but for the disclosure of verified information.

Participating Universities