VASP

General Information

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.

Installation Information

Version: 4.6      Version Date: 0000-00-00

Installed Site: National Center for Supercomputing Applications

Installed Platform: IA-64 Linux Cluster

Point of Contact: Sudhakar Pamidighantam

Installation Status: Planned

Installation Date: 2005-10-11

Usage Information

Usage URL:

Usage Information:
VASP is not licensed currently at NCSA but is licensed to individuaal groups. Please contact chemist@ncsa.edu for makefiles to compile the source.

User Guide Homepage:

License Information

Number of Licenses:

User Fee:

Type of License: N/A

Type of Installation: Installed with restricted access

Distribution Information: