Hi Melissa, You will need to set the FMS radius, which is blank at this point as seen in your screenshot. You should also set the SCF radius which is also blank. I would start with FMS 7.0 and SCF 5.0 and you can make them larger to check convergence. Another thing that is a bit strange in your calculation are the options after the XANES card. I would start by leaving these blank, so that the default energy grid is used. Josh Kas Message: 2

Date: Fri, 21 Dec 2012 16:56:05 -0500 From: Melissa Menard To: ifeffit@millenia.cars.aps.anl.gov Subject: [Ifeffit] Novice FEFF user question Message-ID: Content-Type: text/plain; charset="iso-8859-1"

I am new to FEFF and I have a small problem. I'm trying to produce a XANES spectra of Cu (from the examples). I cannot seem to obtain the pre-edge region in my result. I have attached a screen shot. Could you tell me how to calculate the area before E0, i.e. from -50 to 50 eV.

Thanks Sincerely

-- M Menard, Ph.D.