Re: [Ifeffit] Problems with GeO2

Hi Andreas, I don't really qualify as "someone who has some experience with calculating XANES spectra", but I remeber reading something about GeO2 input files when studying Artemis' manual. If you take a look at the manual you'll see that there might be a problem with GeO2 and a shift vector may have to be added in the creation of the FEFF input file. By the way, which FEFF input file are you using? The cassiterite-like from the atoms/webatoms database? Or have you created your own input file? Anyways, adding the shift vector may be a solution. Hope this helps, Leandro