Re: [Ifeffit] Recommendations for DFT/computational chemistry software?

Thanks, all, for the suggestions and advice! --Scott Calvin Sarah Lawrence College On Aug 12, 2013, at 9:30 AM, Scott Calvin 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@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit