Exchange Dirac Hara on Artemis
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
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
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
participants (2)
-
Matt Newville -
Siri V