[Ifeffit] several FEFF-questions

[Bosman, Eckhard]

Hello,

i read in the FEFF 8.4 manual, that the 6 modules are executed in ascending
order.
But now i'm confused concerning the modules 3 till 5. In module 3 the full
multiple
scattering is calculated. But only after this module the path enumeration
(module 4)
and the scattering amplitudes (module 5) are computed. I thought the path
enumeration
and the scattering amplitudes are required for calculation of the full
multiple
scattering? Why are these quantities calculated after the fms module? In my
opinion
this doesn't make sense.

Another question affects the paper (page 9 and 10) of Zabinsky et al
(attached). In
the section "path enumeration" (respectively one side bevor) he introduced
the quantity
r_tot = total path length and R = r_tot/2 = effective path length. My
question is, what
is the meaning of the effective path length? In my opinion r_tot is the way
and the way
back? And R < r_tot is the path length without negligible contributions
(scattering
amplitude,...), is this right?

The next question concerns the XANES-Card. What is the meaning of k
respectively xkmax?
In my opinion k is the wavenumber (of the photo electron wave?) which occurs
in the
xmu.dat in the third column, isn't it?

Many thanks for your help!

best regards,
Eckhard









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