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, since they have been working into that direction. The last time I
discussed with one of them I understood that there is not yet even a
general theory that would describe the resonant case, thus no
implementation - maybe in the future. Their method was/is also very heavy.
Greetings from Zurich,
apsi
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari Paavo Seitsonen / [email protected] / http://www.iki.fi/~apsi/
Ecole Normale Supérieure (ENS), Département de Chimie, Paris
Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935
On Sat, 25 Oct 2014, plgong wrote:
Dear PWscf users,
As we know, the Raman spectra of the metal can not supported by QE.
However, the spectra of pure or doped graphene can be detected in experiments.
So, I do not understand the underlying reason why it is not immplemented by QE?
BTW, who can provide me with infomation on method or relative software that
can calculate Raman spectra of semi-metal graphene?
Best wishes
PL Gong
ISSP hefei China
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Addr: Institute of Solid State Physics, Chinese Academy of
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Email: [email protected]
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