Vienna Ab-initio Simulation Package

Vienna Ab-initio Simulation Package

The Vienna Ab-initio Simulation Package, better known as VASP (or alternatively VAMP), 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. All calculations are performed within the Density Functional Theory formalism.

Originally, VASP was based on the CASTEP code, written by Mike Payne (MIT at the time), and was then brought to the University of Vienna in Vienna, Austria, in July 1989 by Jürgen Hafner. The main program was written by himself, Jürgen Furthmüller, who joined the group at the Institut für Materialphysik in January 1993, and Georg Kresse.

See also

* Quantum chemistry computer programs

External links

*http://cms.mpi.univie.ac.at/vasp/


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