[Ifeffit] Contributions from 2 paths

McPheeters, Matthew McPheeters1 at MissouriState.edu
Fri Aug 25 12:21:29 CDT 2006


 

Dear All,
      I am analyzing Neodymium Oxide with G.I.Feffit.  I have two paths and I'm having trouble showing the contributions (chi data, Forward and back Fouirer Transform) to the fit from each path.  I ran into a problem with the Sigma2 for the second path, sigma2_2.  When I guess sigma2_2 I can print out the individual path contributions to the fit with the fitted parameters factored in.  If I define, def ( ), sigma2_2 = sigma2_1 then the path contributions that I try to print out do not have the debye-waller parameters factored in.  I have tried the analysis with feffit245 and the path contributions it shows seem be consistent with the fit.  So, I figure I must be writing something wrong in my command file.  I have attached the fit command files, log files, and contribution graphs for when I guess sigma2_2 and define sigma2_2 = sigma2_1.  In the graphs black = data, red = fit, green= contribution from path 2, blue= contribution from path 1.
        Thanks,
          
          Matt McPheeters
          Dr. Mayanovic's Lab Assistant
          Missouri State University
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