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@dyc.edu

On Nov 10, 2013, at 1:26 PM, Julius Campecino <jcampecino@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

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