[Pw_forum] band structure

程迎春 yccheng.nju at gmail.com
Mon Jun 9 15:46:42 CEST 2008


Dear pwscf users,
        I have a problem about the band structure. When I calculate the band
structure of an kind of semiconductor, I found an inconsistent
problem between using conventional cell and primitive cell. The conventional
cell shows the direct band gap ,while the primitive one shows
indirect band gap. My Question: what kind of band gap of this semiconductor
is. Any suggestion is appreciated.
       Thank you in advance!

-- 
Y. C. Cheng
Department of Phyics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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