Re: [Ifeffit] FEFF report: Hard tests failed in fovrg.

2013-08-07 Thread Kevin Jorissen
Dear Ifeffit community, a short reaction from the FEFFgroup. 1/ It's true that we don't follow up on the ifeffit ML 100%. Important issues usually do get through to us. We highly value the ifeffit community. We can also be contacted directly for problems that are FEFF related rather than

Re: [Ifeffit] FEFF report: Hard tests failed in fovrg.

2013-08-07 Thread Kevin Jorissen
Hi Bruce, thanks for your answer. I'm glad that we seem to be in agreement about the main point, which is that a FEFF9L is the best way forward (integrates with analysis tools; has all improvements and bugfixes; free). I'll fire up developer communication about this (including you). Thank

Re: [Ifeffit] FEFF report: Hard tests failed in fovrg.

2013-08-07 Thread Kevin Jorissen
Hi all, I think that several of the points raised in the last few replies will be better addressed off-ML. (See above) As for the benefits of FEFF9: * calculation of potentials is more stable and more accurate * improved self-energy (- better peak positions and widths) * ability to use