Blaise.
I am pretty certain that when that occurs your refinement has gone
haywire, (I tend to use more colourful language!) Closely correlated
parameters have probably been crossed. The best I can usually hope
for is to go back to an older version of the refinement and try again,
but paying particular attention to what I have refining.
Best of luck
Adrian
Quoting "Mibeck, Blaise" <[EMAIL PROTECTED]>:
Regarding GSAS:
Most of the time when I make inappropriate changes in my refinement
sequence, the refinement in genles diverges. Occasionally, however, I see
Chi^2 = 1.#QNB and sum((shift.esd)^2) line out at 1.#R.
I have been assuming that I messed up my refinement order, or allowed
incompatible parameters to vary. So I back up and trudge on. In other words
I treat the problem as if Genles diverged.
Should Genles be diverging? Do these values (more like symbols) mean
anything? Or is something corrupted or not set correctly on my installation?
Thanks for your help on my last question by the way --- I greatly appreciate
this forum!
Kindest regards,
Blaise
* * * * * * * * * * * * *
Blaise Mibeck
Research Scientist
Energy & Environmental Research Center
University of North Dakota
15 North 23rd Street, Stop 9018
Grand Forks, ND 58202-9018
Phone: (701) 777-5077
Email: [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>
--
Adrian Hill
Centre for Science at Extreme Conditions
The University of Edinburgh
Currently based at,
The Institut Laue-Langevin
ILL4 110
BP 156
6, rue Jules Horowitz
38042 Grenoble Cedex 9
France
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