[Pw_forum] Can PWscf calculate "Transition dipole moment"?

lan haiping lanhaiping at gmail.com
Mon Apr 27 14:46:09 CEST 2009

I think you can have a look at $QE/Doc/eps_man.pdf.
As far as i know, QE can handle dielectric properties of semiconductors such
as absorption spectrum in KS-RPA framework.


On Mon, Apr 27, 2009 at 8:42 PM, 程迎春 <yccheng.nju at gmail.com> wrote:

> Dear PWscf users,
>     For a semiconductor, the transition dipole moment is useful for
> determining if transitions are allowed between valence bands and conduction
> bands.  I have searched forum, and got no information concerning about
> transition dipole moment. Can PWscf calculate  "Transition dipole moment"?
> --
> Y. C. Cheng
> Department of Physics
> Nanjing University
> Nanjing 210093
> P. R. China
> Tel: 86-25-83592907
> Email: yccheng.nju at gmail.com
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090427/6dc8fb48/attachment.html>

More information about the users mailing list