Dear Fred,
Thank you very much for your help. Your explanation does help me understand
the theory behind. It also reminds me to be careful of using some
parameters for future fitting analysis. Thank you so much and have a great
weekend!
Best,
Yunyun
On Fri, Oct 27, 2017 at 2:24 AM,
Hello Mike,
Thank you so much for your detailed explanation. I do appreciate your help.
I agree with you that walking through these steps with an expert will be
much helpful. I should attend some XAFS workshop in the future. Thanks
again for your help.
Have a great weekend!
Best,
Yunyun
On
Dear Yunyun,
I don't think Mike has written anything particularly incorrect , but he didn't
point out why this approach is necessary.
I believe there are two things you should definitely be aware of.
An EXAFS dataset has a very limited amount of information. Approximately
deltak.deltaR no of
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
