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
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
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