[QE-users] 回复: Plasmons

[Kwaoallan Blaze]

Okay

On Wed, Sep 18, 2019, 3:48 PM Oleksandr Motornyi <
oleksandr.motornyi at polytechnique.edu> wrote:

> This has nothing to do with QE - it means that your job on the cluster was
> running longer than the time you asked/the maximum walltime allowed. You
> should either use more processors either ask for more walltime.
> Alternatively you should look if your system and parallelization parameters
> are optimal.
> On 18/09/2019 17:43, Kwaoallan Blaze wrote:
>
>  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
>>>
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>>> users mailing list users at lists.quantum-espresso.orghttps://lists.quantum-espresso.org/mailman/listinfo/users
>>>
>>> --
>>> Oleksandr Motornyi
>>> PhD candidate
>>>
>>> Laboratoire de Solides Irradies
>>> Ecole Polytechnique (Palaiseau, France)
>>>
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso
>>> )
>>> users mailing list users at lists.quantum-espresso.org
>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.orghttps://lists.quantum-espresso.org/mailman/listinfo/users
>
> --
> Oleksandr Motornyi
> PhD candidate
>
> Laboratoire de Solides Irradies
> Ecole Polytechnique (Palaiseau, France)
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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