[Ifeffit] Some questions related to IFEFFIT_ ARTEMIS computer package program
Nicolae L. Aldea
naldea at itim-cj.ro
Tue Mar 29 09:15:33 CDT 2011
Dear users,
My new questions are:
1) Should I introduce in GDS degen parameter for fitting beside amp, enot,
delr and ss? What happened when I want to obtain coordination number (CN)
associated to some coordination shell. I thank that there is a difference
some time between CN and degen. In some cases they are the same. Many
journals as you know report CN. For a coordination shell I think that we
have some times more paths, is it rue or false? Does dgen associate only
for a path ?
2) I could to view the feffXXXX.dat in according with your indication in
own folder of computer package program c:\Document
andSettings\USERNAME\Application Data\horae\stash, but can I save
directly them? I did not find a direct bottom for saving them, is it
true or I did not see it?
3) The exafs signal is a real function from math. point of view. So,
FT[chi(k)]= real_RDF_even(r)+i*RDF_odd(r). Then
IFT[real_RDF_even(r)+i*RDF_odd(r)] = chi_real(k)+ i*zero, where
i=sqrt(-1), is it true ? In affirmative case why you have in ARTEMIS
plot region the both components ? Is not the imaginary part zero ? from
math p. v. the module of chi(r) is a symmetrical signal. Even, we take
into account only a region [rmin:rmax] for RDF(r) we obtain for IFT
of RDF(r) only a real signal.
Thanking you I advance I remain,
Nick Aldea
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