[Ifeffit] Help

Dien.Li at srs.gov Dien.Li at srs.gov
Fri Jun 6 11:31:00 CDT 2014

HI, all

I am a beginner user of Athena and Artemis and ATOMS. It is very nice to 
find Athena and Artemis manuals, they are helpful:

1. Do you have FeS2 and other Fe mineral EXAFS data as described in your 
manual, and associated data files, so that I can practice following your 
2. When I ran ATOMS standing alone, to input the crystal structure data 
that have more than 7 atom sites. I could not add a site by clicking "Add 
a Site" button, is there a problem for ATOMS, or it may be related to our 
SRNL security system. 
3. Currently, my project is to study U adsorption to natural organic 
matter and minerals (e.g., goethite) surfaces, do you have any template 
files available for calculating FEFF or if you can instruct me where I can 
start for such systems: for example, uranyl-C or uranyl-goethite surfaces.
4. How to define the fitting models and GDS parameters for such U systems. 

Thanks you so much for your help.

Dien Li, Ph.D.
Fellow Scientist
Environmental Sciences and Biotechnology
Savannah River National Laboratory
Aiken, South Carolina, 29808
Tel: 803-725-7520
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20140606/2c05379e/attachment.html>

More information about the Ifeffit mailing list