Defining a new method (e.g. G3, CBS-RAD) in g98
- From: Mark Saeys <mark.saeys : at : rug.ac.be>
- Organization: Universiteit Gent
- Subject: Defining a new method (e.g. G3, CBS-RAD) in g98
- Date: Fri, 25 Jun 1999 14:41:04 +0200
Dear,
We are using g98 on a pentium with RedHat 6.0 linux for the calculation of
accurate themochemical data. I would like to use models like the new
Gaussian-3 and CBS-RAD method. These methods are a combination of several
single point calculations. Is it possible to define new keywords, so that
if I use the keyword G3 or CBS-RAD in the route section, g98 preforms a
series of predefined calculations - as it now does with the G2, G2MP2 and
CBS-like keys? Which modifications should I make in certain links in order
to do that?
Thanks,
Mark Saeys
University Gent
Belgium