[sdpd] negative debye-waller factors.

[Guilhem DEZANNEAU <guilhemdezanneau...@yahoo.fr>]

dear colleagues,

one short question abour refinements:

sometimes, usually when the diffraction patterns is
beautifull (large grain size), the overall
Debye-waller factor used for X-ray refinement always
goes to negative values. What is the origin of this
and how to solve it ?

precision:
the other parameters are pseudo-voigt function,
Cagliotti´s Law for instrumental resolution (identical
for Ka1 et Ka2). few points per peak: 5 over the FWHM.
visible asymetry of the peaks (axial divergence) 

Guilhem DEZANNEAU
LMGP, 
BP46, domaine univeristaire
38402 GRENOBLE



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