[RMCProfile-users] Bragg profile run time error

[Yuanpeng Zhang]

Hi Supriyo,

I don’t think we are supporting GSAS I or II constant wavelength neutron peak shapes in terms of Bragg fitting in RMCProfile and that’s why it shows errors (as you can see in your terminal output, there is printed out a line `Using GSAS TOF profile 2`).

However, if you have Topas refinement setup, we do have support for that. Also, I am curious whether you have total scattering data as well for your RMC fitting, or Bragg is the only input data for the fitting?

Cheers
Yuanpeng

--

Dr. Yuanpeng Zhang
Computational Instrument Scientist
Spallation Neutron Source

Oak Ridge National Laboratory
1 bethel valley road, Oak Ridge, TN 37830, US
Mobile: +1(865)-335-4818
Email: zhangy3 at ornl.gov<mailto:zhangy3 at ornl.gov> | Web: https://www.iris2020.net<https://www.iris2020.net/>

From: rmcprofile-users <rmcprofile-users-bounces at shadow.nd.rl.ac.uk>
Date: Monday, December 14, 2020 at 5:20 AM
To: rmcprofile-users at rmcprofile.org <rmcprofile-users at rmcprofile.org>
Cc: Supriyo Majumder <supriyom at csr.res.in>, rmcprofile-users at shadow.nd.rl.ac.uk <rmcprofile-users at shadow.nd.rl.ac.uk>
Subject: [RMCProfile-users] Bragg profile run time error
Dear all,
I am a beginner in RMCProfile. I am analyzing constant wavelength neutron total scattering data. In tutorial all the examples are for TOF data. Whoever, following the tutorial I have setup RMCProfile (latest v6.7.8) starting configuration for my system using GSASII. During RMCProfile run the Bragg calculations stopped suddenly with a massage (please find attached screenshot).

Please suggest me the solution to overcome this error. Thanks.

With sincere regards,
Supriyo

Regards,
____________________________________________________________________

SUPRIYO MAJUMDER,
Senior research fellow,
Thin Film Magnetism Group,
SVSM/PLD lab.,
UGC-DAE CSR INDORE,
Khandwa Road, University campus, Indore,
M.P. 452001, India.
Lab. Ext. No. 335, 115.
( [ mailto:majumder.supriyo1993 at gmail.com | majumder.supriyo1993 at gmail.com ] , [ mailto:supriyom at csr.res.in | supriyom at csr.res.in ] )

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