Subject: g94opt/basis set opt

From: [email-masked] (John Nicholas)
Date: Tue, 28 Jan 1997 17:02:41 -0800

In response to a recent posting, several people suggested
using g94opt (also called gauopt) as a tool for
optimizing basis sets. G94opt does look like exactly
what I want, but often gives unusual results. In particular
the initial energies calculated in g94opt do not
match those obtained with a single point in g94, often
by as much as a hartree. Anyone out there with
experience in g94opt/basis set opts?

Thanks, john

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  John Nicholas                                 Office: (509) 375-6559
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