[Pw_forum] Can PWscf calculate "Transition dipole moment"?
yccheng.nju at gmail.com
Mon Apr 27 14:47:48 CEST 2009
Thank you for your quick reply!
2009/4/27 lan haiping <lanhaiping at gmail.com>
> 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
> Hai-Ping Lan
> Department of Electronics ,
> Peking University , Bejing, 100871
> lanhaiping at gmail.com, hplan at pku.edu.cn
> Pw_forum mailing list
> Pw_forum at pwscf.org
Y. C. Cheng
Department of Physics
P. R. China
Email: yccheng.nju at gmail.com
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