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Applications Software

INSTALLED SOFTWARE DESCRIPTION

ABINIT

General Information

Short Description: Density Functional Theory (DFT), using pseudopotentials and a planewave basis

Long Description:
a DFT package for calculating the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids)

Category: Applications - Scientific and Engineering: Computational Chemistry

Vendor/Developer:

Vendor Website: http://www.abinit.org/

Software Website: http://www.abinit.org/about/

Programming Language:

Terms of Use:

Installation Information

Version: 5.4.3      Version Date: 0000-00-00

Installed Site: National Center for Supercomputing Applications

Installed Platform: SGI Altix

Point of Contact: Sudhakar Pamidighantam

Installation Status: Complete

Installation Date: 2007-10-18

Usage Information

Usage URL:

Usage Information:
The executables are in /usr/apps/chemistry/Abinit/abinit-5.4.3/abinit/5.4/bin directory

User Guide Homepage:

License Information

Number of Licenses:

User Fee:

Type of License: N/A

Type of Installation: Available to all allocated users

Distribution Information:

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The TeraGrid project is funded by the National Science Foundation and includes 11 partners:
Indiana, LONI, NCAR, NCSA, NICS, ORNL, PSC, Purdue, SDSC, TACC and UC/ANL.

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