Hi Amol,

Sorry for the delay, I was offline most of last week. Thanks for posting these CIF files.

I think these should be usable -- the basic "cif2feffinp()" function works on these to generate a valid Feff.inp, but the GUI CIF Browser is currently expecting additional fields such as publication information. I guess those fields should be optional. I think there is another issue with using multi-site CIF structures that I want to look into.

So, I hope to get this fixed soon, but I also want to tackle a few other issues before posting a completely new version.

--Matt

On Tue, Aug 10, 2021 at 4:12 PM <amolagarwal2025@u.northwestern.edu> wrote:

Hi,
I hope you are doing well. I am writing regarding some issues that I am having with opening my CIF files in Larch. I have used these same CIF files in the past in Artemis to run feff calculations. When I open these files in the Larch open feff tab, it shows a dialog box saying that there is an error opening the CIF file. This is happening with all my CIF files and I am not sure why. I am attaching a couple of these CIF files. I would really appreciate some help on this.

Amol Agarwal
PhD Student
Materials Science & Engineering | Northwestern University

_______________________________________________
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit