[Ifeffit] Emission spectra of Cobalt

[Joshua Kas]

Hi Timna,

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!

The xes data should be in the xmu.dat file, with the same format as XAS, so
the columns are ...

(photon-energy)          (photoelectron-energy)          (EXAFS k)
(XES)          (Atomic background)          (XES - background, i.e. chi)
 .
 .
 .


If you don't see the xmu.dat file, please send your feff.inp file since
there may be something wrong in the input file or a bug in the code.
Cheers,
Josh

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 <joshua.j.kas at gmail.com>
> >
> > 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
> >
> >
> > > Date: Mon, 12 Apr 2010 12:47:11 +0200
> > > From: "Timna-Josua Kuehn" <timjoku at uni-bonn.de>
> > >
> > > 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
>
>
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