[QE-users] 回复: Plasmons

[Kwaoallan Blaze]

 PBS: job killed: walltime 172840 exceeded limit 172800

On Wed, Sep 18, 2019 at 3:42 PM Kwaoallan Blaze <kwaoallanblaze at gmail.com>
wrote:

> 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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>
>
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