Dear professor,
Recently, I read a paper about calculated Raman spectra with the QE. I
have connected to the authors but no reply for many days. I feel it strang
because of
no implement of Raman for metal (like graphene) in QE, and do not understand
how they
do it and get the intensity.
The link of this paper is "http://www.ncbi.nlm.nih.gov/pubmed/18154315";.
If you have free time, please reply soon.
Truely
PL Gong
> -----原始邮件-----
> 发件人: plgong <[email protected]>
> 发送时间: 2014年10月27日 星期一
> 收件人: "PWSCF Forum" <[email protected]>
> 抄送:
> 主题: Re: Re: [Pw_forum] Raman for graphene
>
> 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
>
>
>
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>
> ====================================================
> 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]
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>
--
====================================================
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]
========================================================================
--
====================================================
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]
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