[GSAS-II] sequential refinement

Viktor Zano zanov at post.bgu.ac.il
Mon May 15 02:18:11 CDT 2017


Dear everyone
I try to do sequential refinement for Sc-doped TiO2 while in-situ heated at
25-1200C temperature range, total of 33 histograms.
As a function of temperature I have different lattice parameters, ratio of
anatase / rutile and crystallite size/microstrains.
I tried to refine them at that sequence usin GSAS-II.



After working on lattice parameters (DXX, hydrostatic/elastic strain terms)
I tried to refine the ratio of anatase / rutile and/or crystallite
size/microstrains and got a "Sequential refinement error" message:

Invalid metric tensor
Cell/Dij refinement not advised


Sometimes I can't get the Sequential results, although I "see" that the DXX
have different values.
Even if I manage to get the results on table, I can't get them in graph as
lattice parameters (instead I get DXX)


Best regards,
Victor
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