Hi, The SCF parameter is too high. If you use SCF 2 or 2.5 everything goes fine. Best, Anna
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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