Dear all,
I have the following problem:
In some fits using Artemis (Demeter 0.9.25) I will get negative values
for parameters where it makes no sense at all.
For example, when trying to fit two first shell paths, Pt-Pt and Pt-O,
for a Pt nanoparticle,
sigma^2 for the Pt-O path becomes negativ
Dear Ifeffit mailing-list,
first of all sorry for writing another mail to the list in such a short
time span, I hope people will not get sick of me too quickly.
I want to do many fits for the same data with varying start-parameters.
More specifically, I am doing fits to EXAFS data of the Pt L
I am very sorry, in the second paragraph the sequence describing what I
want to do could have been clearer:
I want to 1. start a fit with certain parameters, 2. save the log file,
3. change one parameter. This should be repeated many (120 for now) times.
Felix
On 16/06/2017 18:39, Felix E
pplying a weird parameter value.
Or maybe you have a sulfide instead of the oxide you were expecting.
Or maybe you ran Feff for the Pt K edge rather than the Pt L3 edge.
(Oops! I actually do that with embarrassing frequency)
Or something else I haven't thought of
HTH,
B
On 0
epSize
}
; target #1: PtCoN NP bC
}
CurPar1:=CurPar1+StepSize
}
Sleep 1000
MsgBox A total of %TFC% fits have been performed.
Return
}
On 16/06/2017 18:59, Felix E. Feiten wrote:
I am very sorry, in the second paragraph the sequence describing
Dear all,
I am fitting a Pt9Co1 foil sample.
I assume the sample to be basically fcc platinum with every 10th atom
randomly replaced by cobalt.
Here are the assumptions I make:
1. every atom has 12 nearest neighbors
2. every Pt atom has (on average) 10.7 Pt nearest neighbors and 1.3 Co
near
NCo-Pt/NCo-Co=9,
Then you can get
NPt-Pt=10.8, and NPt-Co=1.2
The results will be different if the structure is ordered.
Regards,
On Fri, Jun 23, 2017 at 9:02 AM, Felix E. Feiten
mailto:fei...@cat.hokudai.ac.jp>> wrote:
Dear all,
I am fi
Dear all,
I think the title is almost enough explanation.
I would like to export the data corresponding to fits, chi(k),
fourier-transform and back-transform to plot them with a different software.
I couldn't figure out how, can someone please help me?
With kind regards
Felix
B
--
Regards,
Guanghui
At 2017-06-26 02:36:16, "Felix E. Feiten"
wrote:
Dear all,
I think the title is almost enough explanation.
I would like to export the data corresponding to fits, chi(k),
fourier-transform and back-transform to plot them with a different
software.
I c
on, I would suggest never smoothing, instead showing the
back-transform from R-space to q-space if you want to have nice looking
curves but your data are not that good but ALWAYS supplying raw data in
publications.
With kind regards,
Felix
--
Dr. Felix E. Feiten
Fritz-Haber-Institut der Max-Planc
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