Re: [Ifeffit] (Reposted) K-space vs R-spce fitting

2010-09-11 Thread Matt Newville
Hi Juan,

The data and model are  k-weighted and multiplied by the chosen window
function before the least-squares fit.  So yes, as you see, the choice
of dk will change a k-space fit.  I wouldn't expect it to change the
results by a huge amount no matter how the fit was done.  I would
suspect something else is going on, but it's hard to tell much without
more details.

--Matt


On Fri, Sep 10, 2010 at 8:36 PM, Lezama Pacheco, Juan Salvador
jlez...@slac.stanford.edu wrote:
 Hi Matt:
      Thanks so much for your answer. Let's see if I can make it more clear 
 this time.
 Should dk have an effect on the actual fit, if it is performed in k-space?
 As I said, I found out that by changing dk (in k space) (keeping (kmin,kmax) 
 constant) values change
 around 15%, so that tells me the actual fitting range is 
 (kmin-dk/2,kmax+dk/2) is that so?
 Juan

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[Ifeffit] changing valence state

2010-09-11 Thread JeongEunSuk

Hi all

 

I want to change valence state for XANES calculation in FEFF , from Co2+  to 
Co3+

Is it possible in FEFF?

 

 
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