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 > >
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