Dear colleagues,
Is there any program to simulate a powder neutron diffraction
pattern for any given known structure (given required input as magnetic
data etc)
Thanking you in advance,
Digamber
There are two programs which spring to mind. GSAS and Fullprof both allow
you to simulate neutron data. GSAS only does commensuate magnetic
structures. See www.ccp14.ac.uk for link to the programs.
Jon
Dept. of
I also need to calculate theoretical ND powder patterns, using ToF
data. I am an avid user of GSAS, but I am unsure how to use it to
just calculate theoretical patterns, without reading in a histogram.
I would also like to know if there is a way to obtain a list of the
calculated reflections;
Re: lack of any dedicated powder pattern calculation
software that can handle TOF Flight neutrons:
Are there any Time of Flight Neutron internet/web
based links giving hints and code for programming
TOF capability into Rietveld and Powder Pattern
calculation software. It would be far easier to
Confirmation of reading: your message -
Date:20 Sep 99 13:10
To: [EMAIL PROTECTED]
Subject: Theoretical Neutron Patterns
Was read at 17:41, 20 Sep 99.
Lachlan,
You can get hold of the freely available CCSL code from your site and
compile programs tf112m etc for doing TOF neutron Reitveld fits with
magnetism too! Compiles with the free g77 compiler after some minor
changes. All code is there, I have compiled and run it on a PC and
presented the
