Re: [Ifeffit] Peak assignment and ionization potential with FEFF

Just to clarify, I'm working with XANES spectroscopy. Thanks Ross On 09/13/13, Ross Devol wrote:

Hi everyone,

Does anyone know whether FEFF can be used to assign peaks? In other words, is there a way to tell which peaks in a calcite O K-edge spectrum are due to CO bonds and which to CaO bonds? Also, does FEFF calculate the ionization potential and if so, where does it output this?

Thanks!

Ross DeVol University of Madison-Wisconsin _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit