[RMCProfile-users] Regarding EXAFS input file

Stefan Norberg stn at chalmers.se
Thu Apr 6 15:40:30 BST 2017


A CIF is a Crystallographic Information File (see here http://www.iucr.org/resources/cif) and you need the crystallographic information for your structure to create a CIF (manually or automatically from a refinement software like GSAS). I also assume that various databases, e.g. ICSD (Inorganic Crystal Structure Database, https://icsd.fiz-karlsruhe.de/search/) can help you if the average structure of your material is already known.

Hope this information helps regarding making your CIF, only using EXAFS data will not help you.


From: rmcprofile-users <rmcprofile-users-bounces at rmcprofile.org> on behalf of Saurav Sarma <saurav9119 at gmail.com>
Sent: Wednesday, April 5, 2017 11:37
To: rmcprofile-users at rmcprofile.org
Subject: [RMCProfile-users] Regarding EXAFS input file

Dear RMCprofile Developers and Users,

I have downloaded the windows version of the software and want to create
cif file from experimental EXAFS data. I am unable to get any proper manual
for doing the same. Kindly suggest how to create the input file and run it.

Saurav Chandra Sarma,
Ph.D. Student, NCU
JNCASR, Bengaluru,
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