[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

More information about the Ifeffit mailing list