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 ------------------------------------------------------- -- 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/