[Wien] about 4f electron

[pf.guan@imr.tohoku.ac.jp]

Dear Peter:

I want to learn how to calculate 4f electron, I do it as FAQ showed:
"Open core" treatment of 4f(5f) electron， but there is something error after I modified the case.inc case.in1 case.in2:

first, it shows "SELECT error", so I using small mixer parameter;
but it shows "Fermi error" now, and then shows "L2main - QTL-B error"?

how can I do it? and which is the better way to calculate 4f electron?

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Pengfei GUAN
International Frontier Center for Advanced Materials
Institute for Materials Research
Tohoku University
2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
Tel: +81-22-215-2139
Fax: +81-22-215-2194
Email: pf.guan at imr.tohoku.ac.jp
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