[Ifeffit] Problems with feff and crystallographic data

[Luanga Nchari]

Hi Hashem,
I would suggest you try the following:
use the latest version i.e Artemis   0.8.011 if you have not or 
process your crystallographic data externally with Feff6 before inputing your generated data into ArtemisIf you are using Windows Vista you could also possibly try what you had previously done on Windows XP.
Cheers,
Luanga

--- On Fri, 19/12/08, Hashem Stietiya <mstiet2 at lsu.edu> wrote:
From: Hashem Stietiya <mstiet2 at lsu.edu>
Subject: [Ifeffit] Problems with feff and crystallographic data
To: ifeffit at millenia.cars.aps.anl.gov
Date: Friday, 19 December, 2008, 5:04 AM




 
 






Hello! 

   

I was using Artemis to run feff and generate paths from
hydrotalcite. However, it failed to run and an error message indicated that
there is something wrong with the crystallographic data. I used the
crystallographic data of hydrotalcite from different sources, but encountered
the same problem. Can you please help identify the problem and run feff?  

   

Please find attached the crystallographic data for
hydrotalcite. 

   

I appreciate your help. 

   

Regards, 

Hashem Stietiya 

Louisiana State University  

   



 

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