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

 

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