[Ifeffit] Question on GDS values: amp

Dominik Samuelis d.samuelis at fkf.mpg.de
Mon Aug 1 07:22:20 CDT 2011


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.Tse at 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
> nicholas.tse at csiro.au <mailto:nicholas.tse at csiro.au> | www.csiro.au
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-- 
Dr. Dominik Samuelis
d.samuelis at fkf.mpg.de
Max-Planck-Institut für Festkörperforschung
Max Planck Institute for Solid State Research
Heisenbergstr. 1
70569 Stuttgart
Germany
Phone +49-711-689-1769
Fax   +49-711-689-1722
Web   http://www.fkf.mpg.de/maier/




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