[Ifeffit] How to keep enot,delr, and ss within acceptable limits

Hashem Stietiya mstiet2 at lsu.edu
Fri Jan 9 11:34:01 CST 2009


Dear All,

 

I am currently using ARTEMIS to fit Zn-O, Zn-Zn paths to first and second
shells, respectively. Many times I would get unacceptable values for enot,
ss, and delr. My question is: is there a way to tell ARTEMIS that I want
these parameters to be within acceptable limits? For example, you cannot
have negative ss, so how can I avoid any fit result that produces negative
values for ss? Or high extremely high values for enot and delr?

 

I appreciate your assistance and guidance.

 

Regards,

Hashem Stietiya

School of plant, Environmental and Soil Sciences

Louisiana State University

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