From frederik-: at :-pollux.acs.uci.edu  Wed Nov  3 11:47:00 1993
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To: chemistry |-at-| ccl.net
Subject: Re: Comparison of current DFT codes? 
In-Reply-To: Your message of Wed, 03 Nov 93 15:50:38 +1100.
Date: Wed, 03 Nov 93 08:36:00 -0800
Message-Id: <7336.752344560 # - at - # pollux.acs.uci.edu>
From: "Donald M. Frederick" <frederik -8 at 8- uci.edu>
Status: R


[ Stuff deleted ]
> Are there more capable, publicly-available packages available (perhaps not
> with such completely integrated graphics as DMol), particularly suited for
> TM-complexes?
> 
> To set the ball rolling, which is better value: Dmol or DGauss or Dxxxx???
> 
> Please reply to the list rather than by email to me.  I may be wrong, but I
> suspect that other readers would be interested in this information.
> ----
> Alan Arnold                          |  e-mail: apa#* at *#pop.cc.adfa.oz.au
> Chem. Department,University College  |  voice : +61 6 268 8080
> Australian Defence Force Academy     |  fax   : +61 6 268 8002
> CANBERRA  ACT 2601 Australia         |
> 
> 

Probably many readers of this list have already received the mailing from
Gaussian, Inc. announcing the availability for a number of machines of
Gaussian 92 with DFT, Gaussian 92/DFT. I am neither a user nor a chemist,
but looking at the brochure, it seems to be a decent package, with a modest
range of computational options, such as LDA, and various non-local
corrections to LDA, available at a moderate price to educational
institutions. More info can be had from "info ^%at%^ gaussian.com".


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