[Ifeffit] Some questions about ATOMS and FEFF

Carlo U. Segre segre at iit.edu
Sun Jan 16 11:56:55 CST 2005


Dear Patrick:

The Artemis interface is designed to put the details of the workings of 
FEFF "under the hood", so to speak.

If you really want to use the FEFF6 program on its own, you should read 
the the FEFF documentation:

http://leonardo.phys.washington.edu/feff/

The version os FEFF6 that comes with the Ifeffit source is not exactly the 
one available on the FEFF page, some of the functions (specifically, 
printing of some kinds of output files) have been disabled because the 
whole idea is that Artemis and Ifeffit handle these functions at a higher 
level in the programs suite structure.

If you want to see the weighted sum of the paths you need to probably add 
the individual paths somehow (I am not sure if there is an option in 
Artemis to do this directly or whether you will need to export the paths 
and then sum them back up in Athena).

HTH,

Carlo

On Sun, 16 Jan 2005, Patoo wrote:

> Hi,
>
> I am just starting to work with the ARTEMIS/ATHENA software suite for 
> EXAFS data processing and analysis and a newcomer in this mailing list. 
> This project is really very nice and useful for the EXAFS community and 
> I really enjoy to learn how to use it. I read most of the documents 
> which are available on the website and around, but I have already two 
> questions : 1) in the "feff.inp" command file, what are the options of 
> the cards CONTROL and PRINTS 2) Running the FEFF6 software directly or 
> through the Artemis bundle, I never get any "chi.dat" output file as a 
> weighted sum of the individual "feffNNNN.dat" individual path 
> contribution. Is there any forgotten option to get it ?
>
> Thanks in advance for your help
>
> Patrick
>
>

-- 
Carlo U. Segre -- Professor of Physics
Associate Dean for Special Projects, Graduate College
Illinois Institute of Technology
Voice: 312.567.3498            Fax: 312.567.3494
Carlo.Segre at iit.edu    http://www.iit.edu/~segre



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