But also: why would you use Feff8 for EXAFS analysis, as with artemis?? Feff8 is a XANES code. As far as I know, it does not give any improvements for EXAFS.
FEFF8 does give at least one improvement for EXAFS, which I've used on occasion: the self-consistent field calculation can be used to give an improved estimate of E0 prior to fitting.
--Scott Calvin Sarah Lawrence College
I agree with Scott: SCF calculation gives more reliable estimate of E0 because the Fermi level is more accurate. It makes that, when several atomic species are involved, you only need in principle one E0 for fitting (I have verified this point, at least for the case I'm presently working on).
This is an interesting question. Way back when, when Feff8 was being developed, there was some discussion about how big an effect self-consistency would have on the e0 parameters used in exafs analysis. To my knowledge, no one has really done a systematic survey of this effect in a variety of systems (i.e. well-ordered, highly disordered, metallic, covalent, ionic, and so on). It seems like a good thing for some one to work on and publish, so that we have a better basis for conversations like this one. B