[Wien] Why Fermi energy is in the middle of the band gap?

[Joey Davis]

Dear WIEN2K users:
 When I plot the band structure of pure PbTe with the GGA of Engel-Vosko,
 which is a "hidden" option (put 25 instead of 13 in case.in0), I found that
 the band gap is about of 0.25ev, but the Fermi energy is in the middle of
 the band gap. There is the same phenomenon in the DOS picture as it in
 the band structure picture.
 
 Could anyone tell me why the Fermi energy is in the middle of the band
 gap? How can I put the Fermi energy at the top of valence band?
 My scf cycles with spin orbit coupling is well.
 My wien version is WIEN2k_05_1020.
 
 
 Thanks in advance and best wishes
 
  Joey Davis
 
 
		
---------------------------------
Yahoo! Messenger with Voice. PC-to-Phone calls for ridiculously low rates.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060503/a15a07c5/attachment.html