This sounds like something that someone familiar with both DBWS and GSAS could
be able to work out. As the author of the symmetry operation code in both GSAS
and DBWS perhaps I can help out. And I have an interest in trying to insure that
both of these codes produce proper results.
I have source code for both systems here on my personal computers and can thus
sort out any problems that exist.
I would be quite happy to try to sort out the problem. Privately and report my
conclusions to the Rietveld list when the task is completed.
Allen C. Larson
14 Cerrado Loop
Santa Fe, NM 87505-8248
USA
email: [EMAIL PROTECTED]
"Magnus H. S�rby" wrote:
>
> I'm somewhat reluctant to give out my files to "the public" as they are an
> important part on somethink I've been working on for a long time and it is
> soon to be published.
>
> As soon as it is published, however, I would be happy to give out the files.
>
> Best wishes
> Magnus
>
