[RMCProfile-users] Fwd: using X-ray data with RMCProfile - get_gsas_bragg bug

[Maria.DIAZ-LOPEZ]

-------- Message transféré --------
Sujet : 	using X-ray data with RMCProfile - get_gsas_bragg bug
Date : 	Thu, 17 Nov 2016 13:52:08 +0100
De : 	Maria.DIAZ-LOPEZ <Maria.DIAZ-LOPEZ at neel.cnrs.fr>

	

My name is Maria Diaz-Lopez and I am postdoc at the CNRS (Grenoble, 
France). I am writing to you following your advice in the profile users 
thread attached to this email.

When doing ‘ex_6’ in the tutorial and using the command ‘get_gsas_bragg’ 
I encountered the error ‘forrt1: severe (24)...’ which generated two 
files ‘get_bragg_tempty.hst’ and ‘get_bragg_tempy.temp’, which I believe 
is a common bug.

I am running revision 1251 of GSAS and in I would like to use RMCprofile 
with Xray data.

Since you pointed out that ‘the format of the xray files is incredibly 
specific and you do not recommend trying to do this manually’ I was 
wondering if you have any suggestions/instructions to successfully run 
RMCProfile with X-ray data.

Many thanks for all your time and consideration and looking forward to 
your response.

Best,

Maria



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