[sdpd] Re: Rietveld Method Definition

[Armel Le Bail <alb... @cristal.org>]

>What is done in the subroutines ?
>Put a cross at the good answer, please :
>       Simulated Annealing ?
>...

Without any response from the authors, I obtained
it by reading the P05/OD/001 abstract at :
                http://glabs.nd.rl.ac.uk/

The answer is : simulated annealing in a new Rietveld
program named TOPAS. The program cost is not given.
Being able to refine starting from all atoms at 0,0,0
will certainly not be free, unless you download ESPOIR,
starting from all atoms in random positions. But I guess
that the first job of the simulated annealing process
in TOPAS will be to displace those atoms all at 0,0,0
at random positions ?

Best

Armel Le Bail - Universite du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France
http://www.cristal.org/