[Pw_forum] band structure of ZnO in hybrid functional calculation

Saeed Masoumi saeed_masoumi86 at yahoo.com
Sun Jul 24 16:29:53 CEST 2016


Daer all,
I have performed the hybrid functional calculation of ZnO, but the band structure of this calculation is in the same as normal DFT.i don't know where is the problem?Could you please say the process of band structure calculation in hybrid functional by QE?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160724/fa6773f9/attachment.html>


More information about the users mailing list