Hi all,
I am forwarding this email I received about a problem runninng Feff8. Does
anyone have any advice for this fellow?
B
---------- Forwarded Message ----------
Subject: A problem Using FEFF8
Date: Tuesday 23 March 2010
From: 裘南
To: bravel@anl.gov
Dear Mr. Bruce,
My name is QIU Nan, I am a student from Institute of High Energy
Physics, Chinese Academy of Science.
I encountered a preblem When I calculated O K edge of cerium oxide(CeO2)
using FEFF8. FEFF found bad counts: Occupation number in getorb is 4.000
, then FEFF repeated pteration again and again. The attached files are
feff.inp I used and log1.dat that FEFF generated. Would you so kind to help
me to finish this calculation?
Best Wishes!
QIU Nan
2010-03-24
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--
Bruce Ravel ----------------------------------- bravel@bnl.gov
National Institute of Standards and Technology
Synchrotron Measurements Group, Beamlines X23A2, X24A, U7A
Building 535A, Room M7
Brookhaven National Laboratory
Upton NY, 11973, USA
My homepage: http://xafs.org/BruceRavel
EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
