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/
Wikimedia Foundation.
2010.
Look at other dictionaries:
Simulation informatique — Simulation numérique du tsunami dû au tremblement de terre du 26 décembre 2004. La simulation numérique est l’un des outils permettant de simuler des phénomènes réels. Appelée aussi simulation informatique, elle désigne un procédé selon lequel on … Wikipédia en Français
Simulation numérique — Simulation informatique Simulation numérique du tsunami dû au tremblement de terre du 26 décembre 2004 La simulation numérique est l un des outils permettant de simuler des phénomènes réels. Appelée aussi simulation informatique, elle désigne un… … Wikipédia en Français
VASP (disambiguation) — VASP can refer to: *Value added service provider, a service supplier in telecommunications *Vasodilator stimulated phosphoprotein, a human protein *Viação Aérea São Paulo airline *Vienna Ab initio Simulation Package, a molecular dynamics… … Wikipedia
