Dear Myrsini, After a recent request from our side, Bob implemented it, and it is possible to perform sequential LeBail fits, you need to update to the latest version of GSAS-II where it is implemented. The procedure is the same as for the sequential Rietveld refinement (as far as I have observed), except that you need to start with a proper LeBail fit for the first pattern and then do the rest of the sequential refinement setup. Depending on your system a sequential LeBail may be a lot less stable than a sequential Rietveld, especially if peak splitting occurs, so you will need to be more patient than usual. Good luck Leo
<http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> Libre de virus. www.avg.com <http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2> El vie, 10 dic 2021 a las 14:10, Myrsini K. via GSAS-II (< [email protected]>) escribió: > Dear GSAS experts, > > > > I hope my e-mail finds you well! > > > > I am bothering if there is a possibility to make a sequential LeBail > refinement in GSAS-II, to see the evolution of the lattice parameters with > the Temperature. If yes, what are the steps I should follow for a proper > refinement? (I have already check the GSAS tutorial but in my case I have > not the X-coordinates to make a Rietveld-sequential refinement). > > > > Thank you a lot in advance! > > > > Best regards, > > KAITATZI Myrsini > > ---------------------------------------------------------- > > PhD Candidate, > > Institute of Electronic Structure and Laser (IESL), > > Foundation for Research and Technology - Hellas (FORTH), > > 100 Nikolaou Plastira str, Vassilika Vouton, > > 700 13 Heraklion, Crete, > > GREECE > > > > Office Phone (+30) 2810 391874 > > Lab Phone (+30) 2810 391349 > > Mobile (+30) 6945084322 > > > > Quantum Materials & Magnetism Lab > <https://www.iesl.forth.gr/en/research/magnetic-materials> > > ---------------------------------------------------------- > > > > > _______________________________________________ > GSAS-II mailing list > [email protected] > https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii -- #YoUsoTapabocas y mantengo #DFS Prof. Agr. Dr. Leopoldo Suescun Cryssmat-Lab/DETEMA, Facultad de Química, Universidad de la República. e-mail: [email protected] Tel: (+598) 29290705 Fax: (+598) 29241906* Mailing address: Cryssmat-Lab./DETEMA Facultad de Quimica Av. Gral. Flores 2124 Montevideo 11800 Uruguay Seguime en/Follow me at ResearchGate https://www.researchgate.net/profile/Leopoldo_Suescun ORC*ID*: https://orcid.org/0000-0002-7606-8074
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