[Ifeffit] Exchange Dirac Hara on Artemis

Siri V siripunt at uw.edu
Tue Jun 24 20:25:05 CDT 2014


Dear Dr. Matt Newville,

Thank you for your reply.  I was able to run the FEFF calculation on
Artemis (Demeter 0.9.13), before I included the card below:

EXCHANGE 1 0.0 0.0 -1

[image: Inline image 2]

I received an error as follow:

[image: Inline image 3]

I am not sure what I did wrong, should I refer to the EXCHANGE card
differently?

Please kindly advise,

Best regards

Siri
---------- Forwarded message ----------
From: Matt Newville <newville at cars.uchicago.edu>
Date: Mon, Jun 23, 2014 at 12:44 PM
Subject: Re: [Ifeffit] Exchange Dirac Hara on Artemis
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>


Hi Siri,


On Mon, Jun 23, 2014 at 2:21 PM, Siri V <siripunt at 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 cards) before running the calculation.

--Matt
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