On Monday 09 August 2004 03:31 pm, dmc@pdx.edu wrote:
Hi Feff guys,
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.
I often start a response to a posting like this by referring everyone to my bug report page. This time I will try another approach. Here is a link to a wonderful article entitled "How to Report Bugs Effectively" http://www.chiark.greenend.org.uk/~sgtatham/bugs.html In particular, note the first paragraph after the header "It doesn't work", the entire section under the heading "Show me how to show myself", and the list right before the summary. The whole point of having Atoms built into Artemis is so that you do not need to worry about the feff.inp file or, indeed, any of the other files from Feff. Artemis manages those files for you in a (hopefully) transparent manner. I would not have released artemis if I did not believe it would behave as I describe. There are many reasons why the problem you report may have happened. Sadly, I don't know which one it is since you have not yet been forthcoming with the information. 1. What version of Artemis are you using? Did you update to the new release when it was announced two weeks ago? 2. The run time messages from Feff are written in a window that is displayed during while feff is running. Is anything written in there that might indicate a problem? 3. Does this happen every time you try? If you try importing, say, the atoms.inp file for copper metal, does the same thing happen? If not, then perhaps there is some problem with the atoms information you entered. 4. Are you trying to use some version of feff other than the one that comes with Ifeffit? If so, does feff *ever* run correctly on your computer (either within artemis or outside)?
Is there a directory that I have to place my Feff.INP file in to make this work? I can't figure it out.
A statement like this would actually be useful to me if you referred to the passage in the artemis document (http://leonardo.phys.washington.edu/~ravel/software/exafs/doc/artemis.pdf) that is confusing to you and explained why that passage mislead you. B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 405 Naval Research Laboratory phone: (1) 202 767 2268 Washington DC 20375, USA fax: (1) 202 767 4642 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/