[Ifeffit] Fitting Cu2O

[umesh palikundwar]

> Hi all,
> I am fitting Cu2O data. But when I fit the first shell using the
> first path, I got the guess value for SS parameter negative which is around
> -0.0028 and also the guessed value for SO2 parameter comes out to be around
> 0.52. Are these values logically correct as I am getting a nice fit.
> Also when I use the same SS parameter but with positive sign for the
> first shell i.e., 0.0028, the guessed value for SO2 parameter comes out to
> be 0.61.
> When I fit the higher shells by using the same SO2 and Enot value for
> other paths, the value of SS parameter for these paths is coming very high ,
> i.e., 0.016 - 0.021. But the fit seems to be quiet good. Are these higher
> values of SS parameter correct. The resulting figure is attached.
> 
> with thanks
> 
> Abhijeet Gaur
> 
> School of Studies in Physics
> 
> Vikram University, Ujjain, INDIA.


Dear Abhijit,

 

 The parameters So2 and SS are highly correlated. The negative value of SS does not make any physical significance. It may be due that Artemis is conveging for lower value of So2. In your case (So2=0.552 or 0.61) it is very low. Generelly, it should be in the range of 0.7 to 1. It will be better if you fix So2 for the standard value calulated theoretically in the literature or you can try to get approximated value of SS for So2 around 0.8 to 0.9. 

 

regards

 

Umesh Palikundwar

Department of Physics

RTM Nagpur University,

Nagpur-440033 

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