[Ifeffit] Recommendations for DFT/computational chemistry software?
scalvin at sarahlawrence.edu
Sun Aug 18 19:40:37 CDT 2013
Thanks, all, for the suggestions and advice!
Sarah Lawrence College
On Aug 12, 2013, at 9:30 AM, Scott Calvin <scalvin at sarahlawrence.edu> wrote:
> Hi all,
> I know many of you use DFT calculations to help model EXAFS data for molecular compounds. Do you have recommendations for good computational chemistry packages, commercial or otherwise, to use for that purpose?
> --Scott Calvin
> Sarah Lawrence College
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
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