Re: refinement

Carsten Schinzer ( schinzer@icmcb.u-bordeaux.fr )
Mon, 6 Jul 1998 17:29:25 +0200

>Can I refine atomic parameters(x,y,z,SOF,Uiso or U11,U22,....) with
>rietveld refinement programmes(GSAS,Fullprof,WDBS) ?

Kervan,

Yes you can do all that and even more, but there are some traps.

You should probably start to read the manual of GSAS or FullProf who cite
the appropriate literature. If you are a real beginner, try to find someone
who knows about the stuff or get the book "The Rietveld Method" edited by
R.A.Young (IUCr Monographs on Crystallography #5, Oxford University Press,
1995, ISBN 0-19-855912-7) for introduction and details.

If your access to internet is not too restricted, go to the websites given
in Lachlan's and Armel's mails.

Anyways - don't expect to get out of trouble before the end of 1998 if you
try it all alone ;-)

Sincerely

Carsten

Carsten Schinzer ---------------------------------------

Institut de Chimie de la Matiere Condensee de Bordeaux
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