[Wien] different fermi energy in ev and Ry

yxl@email.jlu.edu.cn yxl at email.jlu.edu.cn
Sun Dec 17 07:47:40 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


More information about the Wien mailing list