Paul, no, there was no feff.inp file in the directory from which feff6 was invoked, but I ran the command just to see whether the program would start from any directory, so as to remove the doubt that the Artemis preferences (in which I use the default "feff6" to call the executable) would work correctly So, the reason why the program does not run correctly (see the uh oh message in the echo window) is not the settings of the Artemis preferences for feff6, and I still do not know what the reason might be. Stefano -- ____________________________________________ Stefano Ciurli Professor of Chemistry Laboratory of Bioinorganic Chemistry Department of Agro-Environmental Science and Technology University of Bologna Viale Giuseppe Fanin, 40 I-40127 Bologna Italy Phone: +39-051-209-6204 Fax: +39-051-209-6203 "Fatti non foste a viver come bruti, ma per seguir virtute e canoscenza" Dante Alighieri - Inferno - Canto XXVI "Ihr seid bestimmt, nicht Tieren gleich zu leben, Nein, Tugend zu erringen und Erkenntnis" "Ye were not form'd to live the life of brutes, But virtue to pursue and knowledge high"