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
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