Dear Nic,
this sounds like your fit is shifted to the experimental chi(k) by half
an oscillation period. Typically, you can recognize this by looking at
the enot value. So what is your enot value like? Does it help changing
the enot starting value by a couple of eV? Finally, (and this is a FAQ
item) could you maybe post a sample Artemis project so that we can
easily see what has happened?
Regards,
Dominik
On 01.08.2011 06:36, nicholas....@csiro.au wrote:
Dear All,
Just wondering what could I do to make the amp guess value as a positive
number? If I run it and let it float (i.e. guess), the amp becomes
negative in the resulting fits, but the fit has nice delr and ss values
(i.e. make sense). If I restrict the amp value to 1, everything else
doesn’t fit. I am only fitting the first nearest neighbour in a measured
standard; Gadolinium oxide.
Regards,
Nic
**
*Nicholas Tse*
Postgraduate Student, University of Melbourne
CSIRO Materials Science and Engineering.
Phone: +61 3 9545 2626 *| *Mobile: 0403 782 805
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Dr. Dominik Samuelis
d.samue...@fkf.mpg.de
Max-Planck-Institut für Festkörperforschung
Max Planck Institute for Solid State Research
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