Hello If delr has higher than 0.2, Check your model in atoms.inp. I think that the enot considerably correlates with the bonding length from my experience. You can control the bonding length, as you change lattice constant or oxygen position on c-axis in atoms.inp with wurtzite structure. From: mstiet2@lsu.eduTo: ifeffit@millenia.cars.aps.anl.govDate: Fri, 9 Jan 2009 11:34:01 -0600Subject: [Ifeffit] How to keep enot,delr, and ss within acceptable limits 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 _________________________________________________________________ 클릭 한번으로 전세계 이미지가 검색된다. http://www.live.com/?scope=images