[QE-users] 回复: Plasmons

[Oleksandr Motornyi]

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 <mailto: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
>     <mailto: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 <http://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>
>>         <mailto:users-bounces at lists.quantum-espresso.org> 代表 kazem
>>         zhour <kazem.zhour at hotmail.com> <mailto: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
>>         <mailto:users at lists.quantum-espresso.org>
>>         <users at lists.quantum-espresso.org>
>>         <mailto: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)
>
>         _______________________________________________
>         Quantum ESPRESSO is supported by MaX
>         (www.max-centre.eu/quantum-espresso
>         <http://www.max-centre.eu/quantum-espresso>)
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>
>
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-- 
Oleksandr Motornyi
PhD candidate

Laboratoire de Solides Irradies
Ecole Polytechnique (Palaiseau, France)

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