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

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 support@metacenter.no 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.

Usage

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

Citation

When publishing results obtained with the software referred to, please do check the developers web page in order to find the correct citation(s).

results matching ""

    No results matching ""