divide by 8*pi^2 (~80), that gets U (mean sq atom displacement) R.B. Von Dreele
IPNS Division Argonne National Laboratory Argonne, IL 60439-4814 -----Original Message----- From: Duncan, Jo [mailto:[EMAIL PROTECTED] Sent: Thursday, September 06, 2007 10:46 AM To: rietveld_l@ill.fr Subject: TOPAS beq values Hello all. This has no doubt been covered before and is probably in an obvious place but i just can't seem to find information on converting "beq" values in TOPAS to actual displacements (Angstroms). Something to do with 4PIr^2 ? Thanks in advance. Happy refining! Jo