[Ifeffit] Inequivalent sites and multiple shell fits

Paul Fons paul-fons at aist.go.jp
Fri Jan 14 00:04:34 CST 2005

   A simple question.  I am have been doing multiple edge fits of 
different materials for a while in artemis (diana).  Now, I would like 
to analyze a material with inequivalent sites for one of the edges.  I 
understand how to read in the data and have read in the different feff 
calculations (for each inequivalent site), but what I just want to 
confirm that artemis/diana/ifeffit will do the "right" thing, namely 
coherently add the contributions *within* each feff calculation and add 
the intensities of each feff calculation -- e.g. I don't think there is 
any interference between the XAFS signal on different crystallographic 
sites -- or even if there is it is ignorable at least for first 
neighbor interactions.  If there is anyone out there with experience in 
doing this (or is the right thing done automatically?), drop me (or the 
list) a line.  Thanks a lot!

Dr. Paul Fons
Senior Researcher
National Institute for Advanced Industrial Science & Technology
Center for Applied Near-Field Optics Research (CANFOR)
AIST Central 4, Higashi 1-1-1
Tsukuba, Ibaraki JAPAN 305-8568

tel. +81-298-61-5636
fax. +81-298-61-2939

email: paul-fons at aist.go.jp

The lines below are in a Japanese font

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