VASP (Vienna Ab initio Simulation Package)
VASP is a complex package for performing ab-initio quantum-mechanical molecular dynamics (MD) simulations using pseudopotentials or the projector-augmented wave method and a plane wave basis set. The approach implemented in VASP is based on the (finite-temperature) local-density approximation with the free energy as variational quantity and an exact evaluation of the instantaneous electronic ground state at each MD time step.
Online information from vendor
- Homepage: https://www.vasp.at
- Documentation: https://cms.mpi.univie.ac.at/wiki/index.php/The_VASP_Manual
License and access policy
VASP is a commercial software package that requires a license for all who wants to use it. To get access to the VASP install:
Your group must have a valid licence. To acquire a licence, please consult this link: https://www.vasp.at/index.php/faqs/71-how-can-i-purchase-a-vasp-license.
We need to get a confirmation from a VASP representative to confirm that you have access to the license. Your group representative needs to contact the VASP team and ask them to send a confirmation email to email@example.com to confirm that you have a valid licence.
Once we receive the confirmation email we will add the user in question to the VASP group. Note that we do not anymore support release 4 of the VASP code.
You load the application by typing:
$ module load VASP/<version>
For more information on available versions, type:
$ module avail VASP
About VASP on Fram
For simplicity we have compiled a page on specifics about the VASP install on Fram: files/vasponfram.md
When publishing results obtained with the software referred to, please do check the developers web page in order to find the correct citation(s).