[QE-users] 回复: Plasmons

Kwaoallan Blaze kwaoallanblaze at gmail.com
Wed Sep 18 17:42:49 CEST 2019


can you please help me with this error.

On Wed, Sep 18, 2019 at 10:02 AM Oleksandr Motornyi <
oleksandr.motornyi at polytechnique.edu> wrote:

> I would start with turbo_eels.x code of TDDFT module that is distributed
> with QE. Of course you have to cautious while dealing with a 2D system
> (i.e. check convergence w.r.t to vacuum and etc) but in principle you can
> obtain momentum-dependent dielectric function.
>
> Best regards
>
> Oleksandr Motornyi
> On 18/09/2019 11:56, Zhou Jianqiang wrote:
>
> I doubt if you can obtain this from QE or not. The plot is essentially the
> -Im\epsilon_Q{\omega}^{-1}. You can have a look at the Yambo tutail for
> computing this object from QE DFT calculations.
>  http://www.yambo-code.org/index.php
> YAMBO code - The Yambo project <http://www.yambo-code.org/index.php>
> Yambo is a FORTRAN/C code for Many-Body calculations in solid state and
> molecular physics. Yambo relies on the Kohn-Sham wavefunctions generated by
> two DFT public codes: abinit, and PWscf.The code was originally developed
> in the Condensed Matter Theoretical Group of the Physics Department at the
> University of Rome "Tor Vergata" by Andrea Marini. ...
> www.yambo-code.org
>
>
>
> *--------------------------------------------------------------------------------------------------*
> *Jianqiang (Sky) ZHOU*
>
>
> *European Theoretical Spectroscopy Facility Institut des NanoSciences de
> Paris (INSP) *
> * Sorbonne Université - Case 840 - 4 place Jussieu *
>
> * Barre 2232, étage 2, pièce 11 75005 PARIS *
> *http://etsf.polytechnique.fr/People/Sky
> <https://theory.polytechnique.fr/squirrelmail/src/compose.php?send_to=gaelle.bruant%40polytechnique.edu>*
> *tel : +33 (0)1 69 33 44 85*
>
> ------------------------------
> *发件人:* users <users-bounces at lists.quantum-espresso.org>
> <users-bounces at lists.quantum-espresso.org> 代表 kazem zhour
> <kazem.zhour at hotmail.com> <kazem.zhour at hotmail.com>
> *发送时间:* 2019年9月15日 6:16
> *收件人:* users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
> <users at lists.quantum-espresso.org>
> *主题:* [QE-users] Plasmons
>
> I'm studying the plasmonic properties of graphene decorated with some
> metals. I'm using epsilon.x in my study, but I saw the attached graphs
> published in reference "Despoja, Vito, et al. *Physical Review B* 87.7
> (2013): 075447." and we would like to reproduce such outcomes for our
> research. Please tell me the steps needed to be followed to reproduce such
> graphs.
>
> Kazem Zhour
> PhD student
> University of Santiago de compostela
>
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> --
> Oleksandr Motornyi
> PhD candidate
>
> Laboratoire de Solides Irradies
> Ecole Polytechnique (Palaiseau, France)
>
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