Cheers friends, now a short question concerning reference paths calculated by FEFF (I use FEFF8.1): I have a series of spectra of catalysts containing V,P and O. Data was taken at the V K edge. I know from literature, that the first coordination shell should contain some 5-6 O atoms. The problem (and this is really the first time I ever had problems with this) is that ifeffit (V 1.2.1) is not capable of fitting even the first shell. As it works fine for model systems, e.g. Au foil, I wonder if I have problems with the calculation of the references... As first try, I re-calculated the feffxxxx.dat files with the SCF flag turned on (which I never used before for the EXAFS) - the problem persisted. Has one of you experienced similar problems and knows how to come over? Norbert -- Dr. rer. nat. Norbert Weiher (norbertweiher@yahoo.de) Laboratory for Technical Chemistry - ETH Hönggerberg HCI E 117 - 8093 Zürich - Phone: +41 1 63 3 48 32