[Ifeffit] Again some questions related to IFEFFIT_ ARTEMIS computer package program

Nicolae Aldea Nicolae.Aldea at itim-cj.ro
Tue Mar 29 00:27:04 CDT 2011


Dear Professor "Matt Newville

The first I would like to thank for your mails sent me on Tue Mar 22, 2011
and On Sun, Mar 27, 2011. Now, I have had success for entering to
ifeffit at millenia.cars.aps.anl.gov 

 

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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