[Ifeffit] Exchange Dirac Hara on Artemis

Siri V siripunt at uw.edu
Wed Jun 25 14:45:00 CDT 2014


Dear Dr. Matt Newville,

Thank you for your quick reply and attention to my inquiry.  I have change
the exchange card so that it has only 3 numbers: EXCHANGE 1 0 0.

Please find attached the input file, feff.inp.

To replicate my error, please:

- open this data file in Artemis 0.9.13 and
- refer to Artemis [Feff] Atoms and Feff
- click Run Feff

You should see the following error report:

Feff executable: C:\strawberry\c\bin\feff6.exe)

 Feff 6.01l
 exchange
 exchange
 Token            0
 Keyword unrecognized.
 See FEFF document -- some old features
 are no longer available.
RDINP-2

********** 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 <newville at cars.uchicago.edu>
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Exchange Dirac Hara on Artemis
Message-ID:
        <CA+7ESbrgvWpVATmbMCCW+R3iAzO0gRcsD2zLj4YKbzU8TZwy_Q at mail.gmail.com>
Content-Type: text/plain; charset="utf-8"

Hi Siri,

Hmm, not sure -- running feff6L with exchange 1 works for me.   The
exchange card only takes 3 numbers (index v_real v_imag).

If you're still having troubles, please send a complete input file, plain
text format, or the complete project file.   Sending the full plain text of
the output you get would be helpful too.

In general: Please don't send screenshots -- they're too hard to read and
don't tell the whole story.  We're willing to help, but it's very hard for
us to guess what might be going on with a partial story.

--Matt
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