[Ifeffit] Fitting procedure

Matt Newville newville at cars.uchicago.edu
Fri Apr 24 15:24:33 CDT 2009

Hi Abhijeet,

On Fri, Apr 24, 2009 at 7:09 AM, abhijeet gaur <abhijeetgaur9 at gmail.com> wrote:
> Hello Matt Sir,
>                       Thanks a lot for your valuable sugestions. I had
> fitted the Cu foil spectra as you suggested. I had taken same SO2 value for
> all the paths and after fitting the first shell , making its parameter fix
> when fitting second shell I changed the fit R range 2.9- 3.7 in order to
> make the contribution of first shell negligible. I got a nice fit.  The
> values of different parameters I got are as follows :
> E 0=2.90 eV   ,  SO2= 0.72
>  1st shell  R = 2.54, delR= -0.011, SS2=0.0083
>  2nd shell R= 3.69,   delR= 0.080,  SS2=0.0088
> The experimental data is taken at room temperature.
> Are these parameters within the experimental error limit. Please tell me
>                                                   with regards
>                                                   Abhijeet Gaur

Those values seem like the right range for room temperature Cu to me.
Channeling those who taught me: be sure to include error bars in those
fitted values!


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