Re: [Ifeffit] Possible bug in atoms files generation by Artemis

2013-03-27 Thread Bruce Ravel
On Tuesday, March 26, 2013 01:21:58 PM Matthew Marcus wrote: Just to put my bit in, I believe that the most significant advantage of higher FEFF versions for EXAFS analysis is that it results in more reasonable values for E0 for high-Z elements. I forget whether the issue is high-Z scatterer

Re: [Ifeffit] Possible bug in atoms files generation by Artemis

2013-03-27 Thread Matthew Marcus
Some users do have FEFFx (x6l) on their own, so it would be useful to prepare Artemis/Demeter/Larch... for them and provide methods for using higher versions if an executable is present. What does the multipole self-energy do? Is that the thing that requires the dielectric response? As you

Re: [Ifeffit] Possible bug in atoms files generation by Artemis

2013-03-27 Thread Matthew Marcus
As I just mentioned to Matt, this conversation is NOT moot because a significant fraction of users have bought access. I wonder if it would be possible to make some sort of 'crippleware' version of FEFF(6) which ONLY runs from within DemLarchTemis? That might make the UW folks a little more