Hi all,
I have a problem concerning the refinement of the cell parameters of a
rhombohedral space group (R-3c) in Fullprof. The documentation says to use
the hexagonal description of the unit cell and that is what I do: a=b, c,
alpha=90, beta=90, gamma=120. a and b are the refinable parameters, the
angles should be kept fixed.
The program tries nonetheless to refine the gamma angle although its code
is set to zero. The output shows however that the associated standard
deviation is equal to zero.
The total number of parameters is four in profile matching mode with
constant relative intensities (jbt=3): one scale factor, one zero error and
two cell parameters (a and b). The profile parameters are kept fixed for
the moment.
Who recognises this problem? Thanks in advance.
Arie van der Lee
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Dr. A. van der Lee
Institut Européen des Membranes
Université de Montpellier II - cc 047
2 place E. Bataillon
34095 Montpellier CEDEX 5
Visiting address:
240 Avenue du Professeur Emile Jeanbrau
Montpellier
Phone: (33) 467 14 9135
Phone: (alternative) (33) 467 14 9100
FAX: (33) 467 14 9119
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