Hi Ross,

The impression I get from this question (and it might be wrong)  is that you're very new to XAS and you're asking a question about a particular tool for x-ray absorption spectroscopy prior to understanding what an x-ray absorption spectrum actually is.  If that's the case, this mailing list might not be very helpful to you right now, as there are many other resources for learning the basics of XAS.

-Jason



On Fri, Sep 13, 2013 at 3:38 PM, Ross Devol <devol@wisc.edu> wrote:
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
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