[RMCProfile-users] How to generate *.TBL file for RMCProfile refinement

[Poree Victor Alexis (PSI)]

Dear Tristan,

The PUBTABLE function is a feature of GSAS ("1") and is not present in GSAS-II. The common way to proceed was to refine the data using the first GSAS program, from which you could then obtain the required files. However, a new version of GSAS-II was discussed recently, which could be compatible with RMCProfile.

Best regards,

Victor Porée
----------------------------
Laboratory for Neutron Scattering and Imaging (LNS)
Paul Scherrer Institut
WHGA 142
Forschungsstrasse 111
5232 Villligen PSI
Phone: +41 56 310 36 23
victor.poree at psi.ch
 



On 27.01.20, 15:13, "rmcprofile-users on behalf of Tristan Barbier" <rmcprofile-users-bounces at shadow.nd.rl.ac.uk on behalf of tristan.barbier at ensicaen.fr> wrote:

    Dear, 
    
    I am a new RMCProfile user and I am emailing you regarding a very simple question (all my apologies for that). 
    After doing all the tutorials I am trying to start performing my first real refinement, 
    however, I am not able to create the *.TBL file by using GSAS-II software. 
    The tutorial says that using the PUBTABLE function, GSAS software can produce such a file.  
    
    Do GSAS-II still able to produce such a file? 
    Is it possible to use another file format through data2config for generating the files we need for the refinement?  
    
    Thank you very much for your help, 
    
    Best Regards,
    
    Tristan 
    	Tristan BARBIER
    Maître de conférences - Laboratoire CRISMAT : +33(0)2 31 45 26 17
    6, boulevard Maréchal Juin - CS 45053 - 14050 Caen cedex 4
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