Please i would like to know how to convert the output file in quantum espresso code to cif format
Dear Olubunmi,
I have been facing this problem for a while but I found a solution.
The softwares are available here.
http://www.xcrysden.org/
http://jp-minerals.org/vesta/en/
Hi,
I think this paper is useful:
Article The Crystallographic Information File (CIF)—A New Standard A...
Dear Mohammad Ali
Thank you so much for your quick response. I will follow the step as you suggest.
Thank you
the very helpful and easiest way is to open scf file of espresso in XCrysden and then save this to.xsf and then open this xsf in vesta and save this in CIF.
Its a kind of trick but very helpful.
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