[Ifeffit] error in ATOMS
Christopher Patridge
patridge at buffalo.edu
Mon Nov 11 08:51:35 CST 2013
Julius,
While I am not certain what the error means, there is a button displayed right above the atom list which says "ADD A SITE." I would suggest that having a unit cell as large as you do, along with rather weak scatterers such as N, C, O, and I assume H, it is probably unnecessary to have sites beyond the 3rd shell or so since these contribute negligibly to the EXAFS.
Chris
********************************************
Dr. Christopher Patridge
Assistant Professor of Chemistry
Dept of Math and Natural Science
D'youville College
320 Porter Ave., Buffalo, NY 14201
Phone: 716-829-8096
Email: patridgc at dyc.edu
On Nov 10, 2013, at 1:26 PM, Julius Campecino <jcampecino at gmail.com> wrote:
> Hi Bruce,
>
> Here's the screen shot of my work in ATOMS. It's supposed to be more than 7 atoms in the core column but that's also one thing I do not know how to add change and add more atoms.
>
> When I click "Run Atoms", it gives me this error "Can't call method "tag" on an undefined value at C:/strawberry/perl/site/lib/Demeter/Atoms.pm line 668.'' I am using the recent version 0.9.18.2 of the Demeter installer.
>
> Thank you for your help!
>
> Julius
> <Atoms.png>_______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20131111/bed18dd9/attachment.html>
More information about the Ifeffit
mailing list