Re: unit cell size limitation in GSAS?

2008-11-12 Thread Brian H. Toby
I have used GSAS with unit cells as large as 25 A on a side. I do not believe there is any limitation in cell dimensions. I would guess that this is a "user error" (the most common reason for an error from POWPREF is an error from the previous cycle of GENLES). If you really believe that yo

unit cell size limitation in GSAS?

2008-11-12 Thread Jae-Ho Chung
Dear all, I am trying to use GSAS to do Rietveld refinement of the pulsed spallation neutron diffraction data. I just found that an error should occur in powpref when I tried to use unit cells of the size approximately 16.5 Angstrom or larger. Unfortunately, the unit cell I need to use slightly