[Ifeffit] Recommendations for DFT/computational chemistry software?

Scott Calvin scalvin at sarahlawrence.edu
Mon Aug 12 08:30:39 CDT 2013

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

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