Hi Joshua, thanks for this explanation of the XES command. I was not aware of it. However, I can not find the data file of the XES simulation yet, although no error is reportet! There is some file called "xsect.dat", where something about "em" is written, but there are no XES spectra in it. Does one have to process this file's data or even some more files? Regards Timna-Josua Kuehn

Date: Mon, 12 Apr 2010 11:19:17 -0700 From: Joshua Kas

Hi Timna, The energy arguments for the XES in FEFF84 are energies of the valence electron relative to vacuum, so emin should be a negative number. Try XES -20 0 0.3 This should capture at least some of the XES. You can play with emin to get the range right. Note that the number of energy points in FEFF84 is fixed, and if you specify a small energy step (the third parameter) you will not achieve the full range that you specify. Cheers, Josh Kas

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Date: Mon, 12 Apr 2010 12:47:11 +0200 From: "Timna-Josua Kuehn"

Dear all,

I am trying to simulate Cobalt Kbeta emission spectra. Actually I just exchanged the XANES card with XES, as is explained and set emin = 7700 eV and emax = 7800 eV with estep = 100 to calculate the whole Co Kbeta line at 7649.43 eV. But I do not find a file that contains the emission data. I am thankful for each helpful advice.

Best regards

Timna

Timna-Josua Kuehn (PhD student) Synchrotron Radiation Group Institute of Physics University of Bonn Germany