Vienna Ab initio Simulation Package¶
The Vienna Ab initio Simulation Package, better known as VASP, is a package for performing ab-initio electronic structure calculations and molecular dynamics, using either Vanderbilt ultra-soft pseudopotentials or the projector-augmented wave (PAW) method, together with a plane wave basis set.
The underlying theoretical model is Density Functional Theory (DFT), but the code also allows for the use of post-DFT corrections, such as hybrid functionals mixing DFT and Hartree–Fock exchange, many-body perturbation theory (the GW method), and dynamical electronic correlations within the Random Phase Approximation (RPA).
VASP is a proprietary software, and as such it requires a license in order to be operated. All users who would like to use this code are advised to send us a support request so that we can check their existing licenses. Contact us about an on-demand license option for interested parties.
We provide support and implementations for both the 5.3.5 and 5.4.4 versions of VASP.
As mentioned in the dedicated section, the list of default pseudopotentials follows the versions of the VASP software itself (versions 5.2 and 5.4).