* Hello everybody, *>* I have a doubt about the LDOS broadening, in xmu.dat I found that core-hole *>* broadening is 4.163, which value should I use in LDOS broadening to *>* reproduce the experimental spectra. *>* Thanks, euG
Hi Matt,
I 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.
So, I want to know the logical criteria to use the eimag in LDOS card.
Thanks, euG
Hi Eugenio,
On Wed, Oct 1, 2008 at 7:42 AM, Eugenio Otal
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. --Matt
participants (2)
-
Eugenio Otal -
Matt Newville