Re: [Ifeffit] boundary issue in artemis

Hi Marcus,

From the graph, it looks likely that one of your sigma2’s is negative, causing the fit to blow up at high k.

If so, then the apparently good fit below k=9 is actually a “false fit,” meaning that it looks good on a graph, but is nonphysical. Unfortunately, that means you have more work to do in adjusting the model; you shouldn't just narrow the fitting window and ignore the misfit. Best, Scott Calvin Lehman College of the City University of New York

On Jan 17, 2017, at 4:21 AM, mfehse wrote:

Dear all,

im fitting Ti next neighbour environment and I'm facing the problem that above a k value of 9 the fit deviates completely and does not follow the data any more. I dont really understand what is happening, so im forced to limit my fitting window in order to avoid this effect. i have attached a plot in k space so you can better understand what im talking about.

any hints would be appreciated_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit