Gaussian 98

Indiana University is licensed for Gaussian 98.

It has been installed on the SP cluster on campus and examples can be viewed in the g98/explore/examples directory on those machines.

Contact the MolViz Facility Staff for details.

The Gaussian Users Manual and other Gaussian-related information is available at the Gaussian Web Site.

The following comands are needed to setup your environment and run the application. They can be added to a script file if you like to automate the task.

#!/bin/csh
setenv g98root /quantum/perm/gauss/IBM
source $g98root/g98/bsd/g98.login
cd $HOME/gauss
setenv GAUSS_SCRDIR /scr/$USER.$$
mkdir $GAUSS_SCRDIR
g98 n2
/bin/rm -R $GAUSS_SCRDIR

Gaussian outputs could be visualized by a number of graphics packages, such as Molden, gOpenMol, Molekel, and OrbDraw. These programs are available on the departmental SGI workstations.

A few examples of how to visualize Gaussian outputs with these programs can be found at the Gaussian web site.


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Last updated: 06/06/2002