Re: [sdpd] Digest Number 87

[Armel Le Bail <armel...@fluo.univ-lemans.fr>]

Zia wrote :

>Well and now i have an intersting question.
>Are free software not better than the commercial ones?

A second SDPD Round Robin would be necessary ;-).
If you want to organize it, you are welcome.

About commercial software in the Monte Carlo and
simulated annealing category, I have forgotten TOPAS
from Bruker :
http://www.bruker-axs.com/production/products/xrd/software/topas/index.htm
I don't know the exact cost, but there is a rumor about
it : possibly ~ EUR 9,000.00.

The TOPAS program is not doing only ab initio structure
determination by simulated annealing, but also
Rietveld refinement and much more. This is also the
case for PowderSolve.

Armel Le Bail
http://www.cristal.org/course/


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