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