[Wien] band gap with PBE-GGA

Udai Pratap Verma upv at airtelbroadband.in
Fri Jun 1 17:15:56 CEST 2007


Thats I agreed sir but I know if the number of electron in the valence 
increases the band gap decreses. if I reduse it to 8 and remove one p state 
in case.in1_st. The fermi energy become negative.

Thanks in advance


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