Information
Purpose: ab initio Molecular Dynamics
Latest version: 5.4.1
License: Proprietary
Website: https://www.vasp.at/
Vienna Ab-Initio Simulation Package (VASP) is a program for plane-wave ab initio molecular dynamics.
VASP is a package to perform Born-Oppenheimer ab initio molecular dynamics (MD) simulations, employing a plane-wave DFT approach (LDA, GGA, meta-GGA, hybrids) to electronic structure. It implements either Vanderbilt pseudopotentials or the projector-augmented wave (PAW) method and Pulay-Broyden convergence to compute the ground electronic state at each step, as opposed to Car-Parrinello molecular dynamics.
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