[Ifeffit] Ifeffit Digest, Vol 148, Issue 13

[M. Janeth LOZANO RODRIGUEZ]

Dear all,

It's true and precise your remark Fred. With Demeter 9.21, the Feff 8.2 
is running properly  in Demeter Atoms or well in Artemis, but at the 
moment to get the paths they are not present.

But if you right click with the mouse, you can READ the geometry for the 
paths but with a error message :
Demeter:UI:Artemi Error
  Couldn't retrieve information about list control item -1

... from my eyes it seems to be something related with Demeter's 
pathfinder but I'm not an expert

Anyway, also thanks Guanghui for your comments that help us to 
understand where is coming from  this problematic. Could be great if in 
the future someone could find/propose a solution

Kind regards
Janeth


On 10/06/2015 19:00, ifeffit-request at millenia.cars.aps.anl.gov wrote:
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> Today's Topics:
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>     1.  how to manage Demeter with a newer FEFF version ?
>        (fred.mosselmans at diamond.ac.uk)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Wed, 10 Jun 2015 07:42:35 +0000
> From: <fred.mosselmans at diamond.ac.uk>
> To: <ifeffit at millenia.cars.aps.anl.gov>
> Subject: [Ifeffit]  how to manage Demeter with a newer FEFF version ?
> Message-ID:
> 	<CF65047C5B0562499EAFF9FBBC542D649FB4EBBF at EXCHMBX01.fed.cclrc.ac.uk>
> Content-Type: text/plain; charset=us-ascii
>
> Dear Janeth,
>
> Feff8.5L (and presumably 8.4)  works in some fashion in Demeter  version 18.2 , in later versions it doesnt.  :  It runs through atoms and gives fits that seems sensible for transuranic elements in the times I and some of my collaborators have used it.
>
> Thus in the short term if you want to use something higher than FEFF6 in your exafs calculations and want to use Demeter that's your option,
>
> If you need to use FeFF9 and want to use Demeter: I think your best option is to have a go at persuading some of the software guys at your facility to collaborate with Bruce and Matt in adding a FEFF9 option to larch and in turn then Demeter.
>
> Best wishes
> Fred
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Mon, 08 Jun 2015 11:13:33 +0200
> From: "M. Janeth LOZANO RODRIGUEZ" <janeth.lozano-rodriguez at esrf.fr>
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: [Ifeffit] how to manage Demeter with a newer FEFF version ?
> Message-ID: <55755CBD.6010007 at esrf.fr>
> Content-Type: text/plain; charset=utf-8; format=flowed
>
> Dear XAFS community,
>
> I wondering about the availability to use a newer FEFF version in
> Demeter. Since my knowledge only I can run FEFF6. In my case I found
> different discrepancies using FEFF6 and FEFF9 in the determination of
> bond length distances for instance. In terms of review of papers,
> reviewers ask to use a newer version instead FEFF6. These points
> strongly suggest me coming back to the obsolete Athena/Artemis version.
>
> On this obsolete version, you can download the paths generated by FEFF8,
> FEFF9. This issue is really useful when we have access to FEFF 9, for
> example.  Is there any option to implement this nice feature in Demeter?
> Does anyone have an idea how to do it?
>
> Kind regards
> Janeth Lozano
>
>
>
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-------------- next part --------------
[2015-06-11T08:10:05] Welcome to Artemis — Demeter 0.9.21, copyright 2006-2014 Bruce Ravel — using ifeffit & gnuplot
[2015-06-11T08:16:47] Performing autosave ...
[2015-06-11T08:16:47] Autosave done!
[2015-06-11T08:16:47] Imported crystal data from feff.inp
[2015-06-11T08:16:55] Computing potentials using Feff ...
[2015-06-11T08:16:58] Finding scattering paths using Demeter's pathfinder...
[2015-06-11T08:17:10] Ranking paths...
[2015-06-11T08:17:22] Feff calculation complete!