Hi Bruce, I agree 100% with your sentiments. The problem you had was with Feff's design (especially that it stopped when it could have gone on). Feff is not particularly amenable to running as a "module" or embedded in another program. Even as a standalone executable run in "batch mode", Feff isn't very good at at giving meaningful error messages to the user. Fortunately, we can change the source code for Feff6, even if it is not necessarily easy to do so. I've made several changes to Feff6 already, and am willing to make more. So far, no one else has volunteered to take this on. As a relevent example, there are currently more than 50 places where feff6 may end execution because of an error (fortran 'stop'). Right now, Ifeffit only does this on reading a corrupted PAD-format data file, which aren't used with artemis/athena. Ideally, all of these could be replaced with "write meaningful message, and go on as best as you can". I'm not sure how easy that will be. --Matt