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 <amolagarwal2...@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 >
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