Dear all,
I'm new to Rietveld. I work with Powder X-ray diffraction and Fullprof.
Recently I've done a Rietveld refinement for a compound with the space
group P42/nmc (n°137) and during the process I saw a quite high value of
Biso of three atoms (~2.5). Then I had to refine anisotropic temperatur
Dear Tuong,
From mathematical point of view it is obvious: the refinement yields
the physically meaningless values for the components of ADP tensor:
the eigenvalues (=lengths of thermal ellipsoid axes) from your values
are:
-.1079639591e-2, .2901526405e-2, .1633111319e-1
What could be the reaso
