[Wien] different fermi energy

姜小婉 姜 wjhongxia at yahoo.com.cn
Mon Dec 18 08:37:53 CET 2006


Dear wien2k users,
I have a strange quenstion. In files case.outputtup and case.qtlup the fermi energy is 0.40228, but in fiele case.scf the fermi energy is 0.52304.The dos in ev uses the fermi energy in case.qtlup,but the dos in Ry uses the fermi energy in case.scf. I can't find the answer,I would appreciate your suggestions.
Thank you for your time and best wishes
yours sincerely,hongxia
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