Okay On Wed, Sep 18, 2019, 3:48 PM Oleksandr Motornyi < [email protected]> 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 <[email protected]> > wrote: > >> can you please help me with this error. >> >> On Wed, Sep 18, 2019 at 10:02 AM Oleksandr Motornyi < >> [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 >>> >>> >>> >>> *--------------------------------------------------------------------------------------------------* >>> *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 <[email protected]> >>> <[email protected]> 代表 kazem zhour >>> <[email protected]> <[email protected]> >>> *发送时间:* 2019年9月15日 6:16 >>> *收件人:* [email protected] >>> <[email protected]> <[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 >>> >>> _______________________________________________ >>> 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) >>> >>> _______________________________________________ >>> 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 >> >> > _______________________________________________ > 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) > > _______________________________________________ > 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
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