[GSAS-II] Issues with sequential refinement

Nick Weadock nweadock at caltech.edu
Tue Nov 14 17:25:43 CST 2017


Hi,

I am having some issues with a sequential refinement in GSAS. I have been
following along with the tutorial here:
https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/SequentialTutorial.htm
to limited success.

Previously, I had trouble getting the phase fractions to sum to 1. I would
put the "wildcard" constraint in as stated in the tutorial, but the phase
fractions still would not sum to 1 after the refinement. I re-did the
tutorial and got it to work, however.

I am trying the tutorial again, but have been running into the following
exception: 'invalid metric tensor \n cell/Dij refinement not advised' I did
not run into this problem previously.

Has anyone had experience with similar issues in sequential refinement? I
am trying to perform sequential refinement of my own data, but had the same
issues with the phase fractions. A colleague performed a sequential
refinement on the same data but the phase fractions worked out fine for
them.

I am using the most up to date version of GSAS-II. Any help would be
greatly appreciated,
-- 
Nick Weadock
PhD Candidate, Materials Science
California Institute of Technology
1200 E California Blvd, Pasadena, CA 91125
MC 138-78
x2520
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