Hello! Has anyone come across a way to define the principal axis of an atom's thermal ellipsoid (say along a particular bond or more generally along any vector) in GSAS or other Rietveld software? More interestingly is it possible to define and set this axis so that only the axes perpendicular to it refine? Curiously yours, Tammy Tammy Amos [EMAIL PROTECTED] -------------------------- Department of Chemistry Oregon State University Office: Gilbert Hall 202 Phone : (541) 737-6750
- Powder beamlines Robert E. Dinnebier
- Tammy Amos
