Hi Bruce,
Oh yeah. The feff run should produce a file called "chi.dat". That's a good one to use as a standard. Matt's ifeffit recipe for converting a feffNNNN.dat file into a chi(k) works, too.
when I run feff, I do not get any chi.dat file. Why? I tried to use artemis to do that, but right now the new version I installed crashes when I try to read in a feff calculation (which btw I performed on something that should be similar to my metal site and was about to use it for standard...) The trap message states: # Artemis 0.7.004 # This file created at 12:59:30 on 27 May, 2004 # using darwin, perl 5.008001, Tk 804.027, and Ifeffit 1.2.5 # Workspace: /Users/stefano/.horae/stash/artemis.project.0/ The following message was trapped by Artemis on a SIGDIE: Artemis0.7.004die/Users/stefano/.horae/stash/ARTEMIS.TRAPCODE(0x1e38760)/Users/stefano/.horae/stash/artemis.project.0/ at /Applications/Ifeffit/bin/artemis line 1550 main::__ANON__('Callback called exit.\x{a}') called at /Applications/Ifeffit/bin/artemis line 0 Stefano PS: I am using the OSX 10.3 version -- ____________________________________________ Stefano Ciurli Professor of 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