[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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