[Ifeffit] XANES relative peak energies

[Ross Devol]

Hi everyone,
 
I am using FEFF to calculate XANES spectra for calcium carbonates, and I am wondering how precisely I should expect the relative peak energies should be consistent with experiments. Is there anything I can do within FEFF to shift peaks relative to each other or to stretch/compress the entire spectrum? I've tried increasing l_fms (or lmax2), which helps some but not enough.
 
Thank you!

Ross DeVol
University of Wisconsin-Madison
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20130923/1e025df3/attachment.html>