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 you have encountered a bug, report it to Bob with enough information so he can track it down.

Brian

On Nov 12, 2008, at 2:10 AM, Jae-Ho Chung wrote:

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 larger than 17 Angstrom. Is this an intrinsic limitation of GSAS? Is there a way to get around it?

Thank you very much.
Jae-Ho

***********************************************
Jae-Ho Chung, Assistant Professor
Department of Physics, Korea University
Anam-dong 5, Seongbook-gu
Seoul 136-713, Rep. of Korea
tel.)  +82-2-3290-3116
fax.) +82-2-927-3292
web.) http://scattering.korea.ac.kr
***********************************************


********************************************************************
Brian H. Toby, Ph.D.                            office: 630-252-5488
Materials Characterization Group Leader, Advanced Photon Source
9700 S. Cass Ave, Bldg. 433/D003             work cell: 630-327-8426
Argonne National Laboratory         secretary (Marija): 630-252-5453
Argonne, IL 60439-4856         e-mail: brian dot toby at anl dot gov
********************************************************************


Reply via email to