[Ifeffit] How to generate the input information for Atom

[Kelly, Shelly D.]

Hi Fenglong,

You can do the next part of the analysis in Artemis.  I have a powerpoint tutorial showing the different parts of Artemis on the xafs.org wiki.  
http://www.xafs.org/Tutorials
It is called Basics_of_XAFS_analysis.pdf  It is a bit dated now, but the main points are all the same.

I recommend Matt's tutorials on that page.

Bruce has documentation for Artemis at http://cars9.uchicago.edu/~ravel/software/docs.html 

And Matt has a data base of crystal structure input files that are already in the correct format for Artemis at
http://cars9.uchicago.edu/~newville/adb/ 

Artemis comes with several working examples that you can find in the distribution package.

These links should get you going.
Cheers,
Shelly

________________________________________
From: ifeffit-bounces at millenia.cars.aps.anl.gov [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of Fenglong Sun
Sent: Monday, November 05, 2007 6:00 PM
To: ifeffit at millenia.cars.aps.anl.gov
Subject: [Ifeffit] How to generate the input information for Atom

Hi, Bruce,
   I am working on an experiment of arsenic adsorption on pyrite particles. I have the data of mu(E)~E. I use Anthena to do the Fourier transform. Now I want to know the cordination information of arsenic atom. How can I get the input file for Atom if I want to do the fitting job by using Iffefit package? Thanks!