Dear professor,
Thanks for your quick reply. I will read papers you provided and
understand further development
of Raman based on theoretical calculation. Also, I hope new methods can be
added to solve the hard
simulation to this kind of important tools with the help of pwscf enthusiast.
Best wishes
PL Gong
> -----原始邮件-----
> 发件人: "Nicola Marzari" <[email protected]>
> 发送时间: 2014年10月26日 星期日
> 收件人: "Ari Paavo Seitsonen" <[email protected]>, "PWSCF Forum"
> <[email protected]>
> 抄送:
> 主题: Re: [Pw_forum] Raman for graphene
>
> On 25/10/2014 23:16, Ari P Seitsonen wrote:
> >
> > Dear PL Gong,
> >
> > Sometimes the things are not that simple to be programmed and
> > provided to others - please try to learn about the difference between
> > non-resonant and resonant Raman.
> >
> > You can also have a look at the papers of Michele Lazzeri and
> > Francesco Mauri,
>
>
> E.g these for the temperature dependence of the Raman modes
>
> http://journals.aps.org/prb/pdf/10.1103/PhysRevB.68.220509
> http://journals.aps.org/prl/pdf/10.1103/PhysRevLett.99.176802
> http://journals.aps.org/prb/pdf/10.1103/PhysRevB.86.121404
>
> Not sure what is published re the shapes - a few groups are/were
> working on this.
>
> nicola
>
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
> _______________________________________________
> Pw_forum mailing list
> [email protected]
> http://pwscf.org/mailman/listinfo/pw_forum
--
====================================================
Addr: Institute of Solid State Physics, Chinese Academy of
Sciences, Hefei, Anhui 230031, China
Tel: +86-551-65591591(office), 18756086113(cell phone)
Email: [email protected]
========================================================================
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
