** Feff calculation finished at 2014-06-25T12:40:41
Kind regards,
Siri
Message: 2
Date: Wed, 25 Jun 2014 07:18:42 -0500
From: Matt Newville newvi...@cars.uchicago.edu
To: XAFS Analysis using Ifeffit ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] Exchange Dirac Hara on Artemis
Message
On 06/25/2014 03:45 PM, Siri V wrote:
- open this data file in Artemis 0.9.13 and
^^
There's your first problem.
B
--
Bruce Ravel bra...@bnl.gov
National Institute of Standards and Technology
Synchrotron
Siri,
Runs for me with Feff6L.02 I see:
Feff 6L.02
name: vanadium pentoxide
formula: V2O_5
sites:V1,O1,O2,O3
refer1: wyckoff Vol 2, Ch V, p 184
notes:shifted by (0.25,0.25,0)
Calculating potentials and phases...
free atom potential and density for atom type0
2014 15:53:39 -0400
From: Bruce Ravel bra...@bnl.gov
To: XAFS Analysis using Ifeffit ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] Exchange Dirac Hara on Artemis
Message-ID: 53ab28c3.6090...@bnl.gov
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
On 06/25/2014 03:45 PM, Siri V
The recommendation is to update to a more recent version of Artemis with a
version of Feff6.02:
http://s3.amazonaws.com/demeter4xas/Demeter_Updater_for_Windows_0_9_18_2.exe
--Matt
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Dear ifeffit members,
I would like to inquire whether the Feff's Exchange card (Dirac Hara) is
supported on Artemis fitting program.
Kind regards,
Siri
University of Washington
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Hi Siri,
On Mon, Jun 23, 2014 at 2:21 PM, Siri V sirip...@uw.edu wrote:
Dear ifeffit members,
I would like to inquire whether the Feff's Exchange card (Dirac Hara) is
supported on Artemis fitting program.
Yes. You can edit the feff input file and change the exchange card (or
other
