[GSAS-II] problems importing cif into GSAS-II

Bell, Anthony Anthony.Bell at shu.ac.uk
Thu Jul 14 10:04:15 CDT 2016


Hello GSAS-II

Today I just installed GSAS-II on my computer. I haven't used GSAS for a few years, more recently I have been using FULLPROF. However, I have some synchrotron data for which I have an IPF for the beamline so I thought I would give the new GSAS-II a try for some Rietveld refinements. I am currently struggling up the learning curve with GSAS-II, I have successfully imported data. Next I want to import a CIF with structural parameters. First time I tried importing a cif from ICSD, second time I tried importing a CIF from a FULLPROF refinement. However, I get a Read Error when this happens. I tried looking at the tutorial web page but this link doesn't lead anywhere. I am reluctant to manually type all 40 atoms in the asymmetric unit for this refinement.

Has anyone seen this problem before? Could something have not installed properly?

Thanks in advance

Dr. Tony Bell
Senior X-ray Technician
Materials and Research Engineering Institute
Sheffield Hallam University
City Campus
Howard Street
Sheffield
S1 1WB

Anthony.Bell at shu.ac.uk<mailto:Anthony.Bell at shu.ac.uk>
0114 225 3401

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20160714/c2091366/attachment.html>


More information about the GSAS-II mailing list