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
<[email protected] <mailto:[email protected]>> wrote:
can you please help me with this error.
On Wed, Sep 18, 2019 at 10:02 AM Oleksandr Motornyi
<[email protected]
<mailto:[email protected]>> 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>
/--------------------------------------------------------------------------------------------------/
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/European Theoretical Spectroscopy Facility
Institut des NanoSciences de Paris (INSP)
//
Sorbonne Université - Case 840 - 4 place Jussieu
//
Barre 2232, étage 2, pièce 11
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/
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/tel : +33 (0)1 69 33 44 85/
------------------------------------------------------------------------
*发件人:* users <[email protected]>
<mailto:[email protected]> 代表 kazem
zhour <[email protected]> <mailto:[email protected]>
*发送时间:* 2019年9月15日 6:16
*收件人:* [email protected]
<mailto:[email protected]>
<[email protected]>
<mailto:[email protected]>
*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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Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso
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users mailing [email protected]
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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>)
users mailing list [email protected]
<mailto:[email protected]>
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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
--
Oleksandr Motornyi
PhD candidate
Laboratoire de Solides Irradies
Ecole Polytechnique (Palaiseau, France)
_______________________________________________
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