The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.

VASP n'est pas un logiciel libre : VASP is copyright-protected software, the copright owner and sole distributor worldwide is the University of Vienna, Austria, represented by Prof. Dr. Georg KRESSE at the Faculty of Physics. It is necessary to have an appropriate license to use VASP

• Site web : http://www.vasp.at
• Documentation : http://www.vasp.at/index.php/documentation
• Versions installées :
  • 4.6 en cours

Pour sélectionner la version voulue : utiliser les modules

Par exemple :

module load vasp