Dear Prof. Ravel,
Thanks so much for your answer, which remove the cloud partially above me.
I actually tried many models, from crystal to the opposite 6O only
(different distance, second shell C,P ...). The example shown in the
email are two extreme cases, which single P has contribution lik
Dear all
I would be grateful if you could bring this XAS/XPS post to the attention of
suitable candidates. The post has been funded for 30 months and is available
from 1 June 2011.
Follow this link:
http://www.manchester.ac.uk/aboutus/jobs/vacancies/research/vacancy/?ref=126714
Research Assoc
On Tuesday, April 12, 2011 03:24:22 am goodh...@gmail.com wrote:
> 1, FEFF takes Z atoms at equal distance as same. It does not care some
> have neighbor A, some have neighbor B. Should I worry about it? and when?
In Feff6, two atoms that are at the same distance and have the same
unique potentia
Calculations of EXAFS averaged over an atomic configuration which may include
up to a few tens of thousands atoms was implemented into the PMCProfile code
for reverse Monte Carlo refinement of atomic configuration. Application of this
approach to perovskite-like crystals was published in Krayz
Dear Anatoly,
Thank you very much for your reply. Unfortunately, your PRB references
did not solve my problems. I am trying to reproduce the results of
Cauet et al [J. Chem. Phys. 132, 194502 (2010)]. I basically have over
500 snapshots of a single Zn2+ ion (absorbing atom) in water (O atoms
are t
Francisco,
This isn't really a job that Artemis was designed for. That is, you
do not want to do a path-by-path analysis. I think what you want is
to write a script that runs Feff on your several hundreds of
configuration, and then extract and sum the chi.dat files from each of
the runs.
Feff
Thanks a lot for the detailed answer.
Best,
Jack Song
On 2011-04-12 09:03, Bruce Ravel wrote:
On Tuesday, April 12, 2011 03:24:22 am goodh...@gmail.com wrote:
1, FEFF takes Z atoms at equal distance as same. It does not care some
have neighbor A, some have neighbor B. Should I worry about it?
