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The Vienna Ab-initio Simulation Package, better known as VASP, is a package for performing ab initio quantum mechanical molecular dynamics ( MD ) using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set.
The basic methodology is Density Functional Theory ( DFT ), but the code also allows 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.

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