Dev,
I work with older Ifeffit version thus I can not help you much - I can
not open (Artemis) or work (Athena) with projects...
I have only one question - do you need to fit paths about 4A?
I hope that someone on this mailing list will check your files
regards
kicaj
W dniu 13-02-19 17:47,
Shaofeng,
so I can not help so much. I can only think if you opened projects from
older/other version of demeter - in such case can be problems with back
compatibility.
In Artemis the phase correction is done to the one of nearest type of
ions, thus you have to have already loaded FEFF
On Tuesday, February 19, 2013 11:52:35 PM wangshaof...@iae.ac.cn wrote:
How can I open the phase correction function in fitting using demeter athena
and artemis?
Phase corrected Fourier transforms have not been implemented yet in
Artemis and the central atom phse shift feature in Athena is
John,
I think the problem is different from what you presume.
You have measured a *very* short data range. The archive post you
cite is not really relevant. This one is:
http://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg03717.html
There are two issues that need addressing
Dev,
Rmax in the Feff card limits the size of the cluster, it means no. of
atoms, used in calculation of paths, whereas Rmax in the Fourier
transform window limits the fitting region in the R space. Could you
tell which values of delr for these paths you obtained in the fit? Is
the same
On Wednesday, February 20, 2013 10:54:02 AM Devender wrote:
Dr. Patridge,
Thanks for suggestion. I am not sure if I get completely, I do understand
the difference of Rmax in artemis and feff. You mean make changes in rmax
in feff input file? I did that and attached are screenshots for that
Well that is interesting,
As was asked earlier, what is the fitted reff from the model? It would
be rather non-physical and probably suggest a poor model, but perhaps
the bond length is shifted well beyond the rmax which you show sets as 7
A and that is why you are receiving the error.
On Wednesday, February 20, 2013 11:56:25 AM John Hayes wrote:
Thank you for your reply. I find your lack of faith...disturbing,
You are criticizing me for not having faith in you and your email
address is ginger.jesus@. I think I would be well justified in
ignoring you out of hand.
On Tuesday, February 19, 2013 11:47:25 AM Devender wrote:
I tried that too, went till 8 A, but it is still showing same error whereas
R effective for second shell paths are 4.4 and 4.7 A. I have also attached
athena file and artemis project file for my data for reference.
Dev,
I finally got
Hi Bruce,
I tried that quickly, and no more error log! Fitting for second and third
shells is working. Appreciate your help and going over my files.
Freeze option really helps when I am trying to analyze systematic data like
doping, where I have added incremental amount of dopants, and want to
On Wednesday, February 20, 2013 11:56:25 AM John Hayes wrote:
Thank you for your reply. I find your lack of faith...disturbing,
I'd like to take this opportunity to emphasize two points I've made
several times before. John, I apologize if it sounds like I'm
picking on you. I don't mean to
I can't help but wonder how much of this message chain is set forth by a missed
Star Wars reference.
On 2013-02-21, at 12:01 AM, Matt Newville newvi...@cars.uchicago.edu wrote:
On Wednesday, February 20, 2013 11:56:25 AM John Hayes wrote:
Thank you for your reply. I find your lack of
On Wed, Feb 20, 2013 at 10:31 PM, Jeremy Thorbahn thorb...@gmail.com wrote:
I can't help but wonder how much of this message chain is set forth by a
missed Star Wars reference.
Oh, I think if the reference had been missed, neither Bruce nor I
would have responded.The implication was that
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