I have been trying to use GSAS, with limited success, by
placing a dummy atom at a non-special position for the
Le Bail extraction. The discussion has suggested that other
programs implement the Le Bail method in different, possibly
better, ways. Is FULLPROF the 'preferred' choice? I have
found that program on the Web page, but if there are other
programs, I would appreciate reference to PC versions. In
March '95, a citation list of Rietveld related programs was
distributed by Le Bail. This includes several that are
'Pawley method' based. None of these programs seem to be
listed on the Web page. Is there a reference that describes
the relative advantages of the Pawley and Le Bail methods for
extracting structure factor amplitudes?
Bill Beers
william.beers@lighting.ge.com