VASP

Short Description: Ab-initio quantum mechanical MD

Long Description:
An ab-initio quantum mechanical molecular dynamics simulation package using pseudopotential and plane wave basis set

Category: Applications - Scientific and Engineering: Chemical Engineering
Applications - Scientific and Engineering: Computational Chemistry
Applications - Scientific and Engineering: Materials Science

Vendor/Developer: University of Vienna, Prof. Georg Kresse's group

Vendor Website: http://cms.mpi.univie.ac.at/vasp/

Software Website: http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html

Programming Language:

Terms of Use:
VASP is not licensed at NCSA at present. Users need to license it directly from the authors. Currently only make help is provided.

Installed Copies:

NCSA: SGI Altix (Version - 4.6)
NCSA: IA-64 Linux Cluster (Version - 4.6)
NCSA: Intel 64 Linux Cluster