[GSAS-II] [Ext] (no subject)

[Carlo Segre]

If there is no phase transformation, it is probably easiest to start with
the room temperature CIF file and set the scale factor without varying is
but allow the lattice parameters and the background to vary until the
lattice parameters lock into the right values.  Then you can start refining
scale factor and peak widths, etc.

Carlo

On Tue, Nov 14, 2023 at 7:48 AM Sampurna Nayak via GSAS-II <
gsas-ii at aps.anl.gov> wrote:

> Hi all,
>
> I have got cif file from scxrd data, where measurements have been done at
> low temperature.
> Pxrd pattern has been collected at normal room temperature.
> I want to do refinement to achieve convergence of both data
> Is there any option/approach to get temperature adjusted simulated pxrd
> pattern?
> Should I go with the normal rietveld refinement?
>
> Sampurna
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-- 
Carlo U. Segre (he/him) -- Duchossois Leadership Professor of Physics
Professor of Materials Science & Engineering
Director, Center for Synchrotron Radiation Research and Instrumentation
Illinois Institute of Technology
Phone: 312.567.3498
segre at iit.edu   http://phys.iit.edu/~segre   segre at debian.org
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