[Ifeffit] Broadening

Matt Newville newville at cars.uchicago.edu
Mon Oct 6 10:30:26 CDT 2008

Hi Eugenio,

> have measured the XAFS spectra by absorption.
> I really want to avoid obtain over detailed simulated spectras with a LDOS broadening
> smaller than core-hole broadening.

If you have experimental XAFS spectra, wouldn't you want to compare
that with a calculation of the x-ray absorption spectra,not a
calculation of the LDOS?  That is to say, wouldn't you want to compare
it to Feff's xmu.dat, which already includes broadening terms?

> So, I want to know the logical criteria to use the eimag in LDOS card.

Are there logical criteria for eimag in the LDOS card??   Eimag
broadens the LDOS with a Lorenztian.  I don't think there's anything
more to it.

I'm not sure why you would want to change the broadening of the LDOS,
but I may not understand what you are trying to do.


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