[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080609/81016c9f/attachment.htm
More information about the Pw_forum
mailing list