The way I usually do it is to just pick one of the FEFF paths (instead of both)
corresponding to the distance you care about. I actually haven't used the
latest version of Artemis to do any fitting recently, but I assume it is still
similar.
In your list of FEFF paths, pick C1.1, right-click
Hello Mike,
Thank you very much for your help. I have a question about combining
different atoms in a shell. For example, in the Fe5C2 model,
ATOMS * this list contains 221 atoms
* x y z ipot tag distance
0.00.00.0 0
I definitely recommend combining multiple atoms of similar distances into the
same path. That's what you end up with anyway if you use multiple paths, with a
lot more potential problems in the software.
Sometimes it is beneficial to split a shell of of atoms into two, to capture
some physical
