Go the archives for this mailing list: 

Enter the words "coordination" and "degeneracy" in the box at the top of the 
page, then click the button labeled "Search".

I suspect the answers from the many times this question has been asked before 
will be helpful to you.  For example, this post from Scott -- 
http://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg03435.html -- 
in response to a thread on this very topic -- is quite helpful.

If it's still not clear, then ask again about the part that remains confusing 
to you.


From: ifeffit-boun...@millenia.cars.aps.anl.gov 
[ifeffit-boun...@millenia.cars.aps.anl.gov] on behalf of Zhaomo Tian 
Sent: Wednesday, December 26, 2012 6:23 AM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] The degeneracy and the coordination number

Dear all,

I am confused about the degeneracy and the coordination number used in the 
Artemis program.
I want to get the coordination number of 1st shell of my copper sample, so I 
set a guess number N1=12(initial guess) as the coordination number which will 
vary during the fitting iteration, but when I am looking at the 1st path's 
parameters, there is another N appear which may stand for the degeneracy.The 
1st path of copper model is single scattering, so the degeneracy N equals 
coordination number . But when I set N=12, the guessed N1 will have a value 
which is closed to 1, only when I set N=1, the guessed N1 will have a value 
which is closed to 12. It seems that N and N1 are reciprocals. But I think N 
actually equals N1 in the single scattering case.

So I am really confused, If I want to get coordination number of a shell in a 
fitting, how can I deal with floated coordination number and its path 
degeneracy N?

Thanks so much.

Ifeffit mailing list

Reply via email to