Hi Dan,
I'm sure you've answered this question before, but I was wondering about the error message "There are no FeffNNNN.dat files! Something has gone wrong with your feff calculation." I entered all the information into Atoms correctly and Atoms ran fine, but when I run Feff I get this message. Is there a directory that I have to place my Feff.INP file in to make this work? I can't figure it out.
I don't read this as a bug report, or see why this question deserves a response about how to submit a bug report. The way I read this, you aren't claiming that "it doesn't work" but are asking for help figuring out what is supposed to happen. I also believe the question you're asking is actually not answered in the Artemis docs, but I could be wrong. Anyway, there is a directory where Artemis puts feff.inp and then tries to run it from, but you do _not_ have to put it there yourself. Artemis should put feff.inp in Artemis's "stash", the exact location depends on what computer system you're using. On windows, look in C:\Program Files\Ifeffit\horae\stash. On Unix, look in ~/.horae/stash. From there, look under 'artemis.project.N' (N=0,1,2, ...), and then in the folder 'dataJ.feffL' (J,L=0,1,2, ...). If you clear out old projects it might be easier to find, but sort-by-date will help too. As for why you're getting these messages: Artemis tries to run feff, then looks for feffNNNN.dat files in that folder. If it can't find any feffNNNN.dat files, it gives your "Something has gone wrong" message. Likely scenarios are: a) feff didn't run. There should have been progress messages from Feff written to an output screen. Did this happen? If so, what do the messages say? b) you don't have permissions to run feff, or to write in the directory. Does the stash directory get created, and is there a feff.inp file there? If so, you could try running feff6l on this file -- that could answer a lot of questions. c) feff ran and either died somewhere in the middle or never wrote any feffNNNN.dat files. That might have to do with strange input in feff.inp. Hope that's a start. Please let us know when you figure it out... --Matt