[Wien] fermi level touching valence band (not between the valence band and conduction band)

idris.09 idris idris.09 at gmail.com
Mon Mar 25 11:06:33 CET 2013


Dear users
i am calculating the band structure of a system with LDA+U and i have used
(SO) as well. when i run LDA+U with (SO) on, Valence band is touching the
fermi level and VB maximum is nearly at zero and the total gap is nice.
when i put SO off i get a gap between VB maximum and fermi level, but my
band gap value is reduced to 1/2 of the original value.
Please tell me what is the definition of fermi level in wien2k.

With Regards

Idris Hamid
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