Hi John: I can't answre all of the questions you pose but I tried this with my installations of feff. On Sat, 10 Oct 2009, John McLeod wrote:
If anyone out there is willing to help me out: 3. Do you get the same results as I do with the attached feff.inp?
yes, feff6 gives the same error as you cite and changing the atom eliminates the error
4. Do the later versions of FEFF have the same problem, or is it native to FEFF6?
FEFF 8.4 does not give this error.
5. Is the problem related to my probably outdated version of Artemis?
No, since I have the latest version if Ifeffit and this is the only thing which counts for the error. Carlo -- Carlo U. Segre -- Professor of Physics Associate Dean for Graduate Admissions, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre@iit.edu http://www.iit.edu/~segre segre@debian.org