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From: Lee Gerrard [mailto:lee.gerr...@awe.co.uk]
Sent: Monday, August 03, 2009 11:35 AM
To: rietveld_l@ill.fr
Subject: Negative Equivalent Isotrpic Calculated Values Problem..
All,
I am refining some TOF powder neutron diffraction data (GEM Xpress)
using GSAS, when I refine with isotropic
All,
I am refining some TOF powder neutron diffraction data (GEM Xpress)
using GSAS, when I refine with isotropic displacement parameters I get
reasonable and consistent values. However, when I refine using
anisotropic displacement parameters the equivalent isotropic calculated
from these are almo
