Re: CCL:Summary DFT Programs
On Jan 31, 2:07pm, Alain Kessi wrote:
> Subject: CCL:Summary DFT Programs
> Cedric Merlot wrote:
> > A week ago I asked for DFT Programs :
>
> In your list of DFT software packages, you're missing Dmol, available
> commercially from MSI (http://www.msi.com). The same code can do
> molecules/clusters or crystals. It should be among the faster codes,
> though I haven't recently done any comparisons.
>
> (Caveat: the writer of the present message has links to the developers
> of Dmol)
>
> -- Alain Kessi (alain.kessi-0at0-psi.ch), at Paul Scherrer Institut, Zurich
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>-- End of excerpt from Alain Kessi
Add to the long list of available DFT codes. Spartan also has DFT module in
our current 4.x version and enhanced version (to be released). We are also
preparing a book to provide practical guide to DFT modeling, both local and
non-local methods. For more information, contact support-0at0-wavefun.com.
--Wayne
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