<div dir="ltr"><div dir="ltr"> PBS: job killed: walltime 172840 exceeded limit 172800<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Sep 18, 2019 at 3:42 PM Kwaoallan Blaze <<a href="mailto:kwaoallanblaze@gmail.com">kwaoallanblaze@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">can you please help me with this error.<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Sep 18, 2019 at 10:02 AM Oleksandr Motornyi <<a href="mailto:oleksandr.motornyi@polytechnique.edu" target="_blank">oleksandr.motornyi@polytechnique.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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<p>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.</p>
<p>Best regards</p>
<p>Oleksandr Motornyi<br>
</p>
<div class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-cite-prefix">On 18/09/2019 11:56, Zhou Jianqiang
wrote:<br>
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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.</div>
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<a href="http://www.yambo-code.org/index.php" id="gmail-m_7484945803921541159gmail-m_6190785587043920316LPlnk377770" target="_blank">http://www.yambo-code.org/index.php</a> </div>
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<table id="gmail-m_7484945803921541159gmail-m_6190785587043920316LPContainer300720" style="padding:12px 36px 12px 12px;width:100%;border-width:1px;border-style:solid;border-color:rgb(200,200,200);border-radius:2px">
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<div id="gmail-m_7484945803921541159gmail-m_6190785587043920316LPTitle300720" style="font-size:21px;font-weight:300;margin-right:8px;font-family:wf_segoe-ui_light,"Segoe UI Light","Segoe WP Light","Segoe UI","Segoe WP",Tahoma,Arial,sans-serif;margin-bottom:12px">
<a id="gmail-m_7484945803921541159gmail-m_6190785587043920316LPUrlAnchor300720" href="http://www.yambo-code.org/index.php" style="text-decoration:none" target="_blank">YAMBO
code - The Yambo project</a></div>
<div id="gmail-m_7484945803921541159gmail-m_6190785587043920316LPDescription300720" style="font-size:14px;max-height:100px;color:rgb(102,102,102);font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif;margin-bottom:12px;margin-right:8px;overflow:hidden">
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. ...</div>
<div id="gmail-m_7484945803921541159gmail-m_6190785587043920316LPMetadata300720" style="font-size:14px;font-weight:400;color:rgb(166,166,166);font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif">
<a class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-abbreviated" href="http://www.yambo-code.org" target="_blank">www.yambo-code.org</a></div>
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<div><span style="line-height:21px"><i><font size="2"><span style="font-size:10pt">Jianqiang (Sky) ZHOU</span></font></i></span></div>
<span style="font-size:10pt"></span>
<div><span style="line-height:21px"><i><font size="2"><span style="font-size:10pt">European Theoretical
Spectroscopy Facility</span><br>
<span style="font-size:10pt">Institut des NanoSciences
de Paris (INSP)</span><br>
</font></i><i><font size="2">
<h3 class="gmail-m_7484945803921541159gmail-m_6190785587043920316r"><span style="color:rgb(117,123,128);font-size:10pt">Sorbonne Université - Case 840 - 4
place Jussieu</span><br>
</h3>
</font></i></span><span style="line-height:21px"><i><font size="2">
<div><span style="font-size:10pt">Barre 2232, étage 2,
pièce 11</span><br>
<span style="font-size:10pt">75005 PARIS</span></div>
</font></i></span></div>
<div><i style="line-height:21px;font-size:12pt"><font size="2"><a href="https://theory.polytechnique.fr/squirrelmail/src/compose.php?send_to=gaelle.bruant%40polytechnique.edu" style="color:rgb(0,104,207)" target="_blank">http://etsf.polytechnique.fr/People/Sky</a></font></i></div>
<div><i style="line-height:21px;font-size:12pt"><font size="2">tel : +33 (0)1 69 33 44 85</font></i></div>
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<div id="gmail-m_7484945803921541159gmail-m_6190785587043920316divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>发件人:</b>
users <a class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-rfc2396E" href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank"><users-bounces@lists.quantum-espresso.org></a> 代表
kazem zhour <a class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-rfc2396E" href="mailto:kazem.zhour@hotmail.com" target="_blank"><kazem.zhour@hotmail.com></a><br>
<b>发送时间:</b> 2019年9月15日 6:16<br>
<b>收件人:</b> <a class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>
<a class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-rfc2396E" href="mailto:users@lists.quantum-espresso.org" target="_blank"><users@lists.quantum-espresso.org></a><br>
<b>主题:</b> [QE-users] Plasmons</font>
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<div style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
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 "<span style="color:rgb(34,34,34);font-family:Arial,sans-serif;font-size:13px;text-align:left;background-color:rgb(255,255,255);display:inline">Despoja, Vito, et al. </span><i style="color:rgb(34,34,34);font-family:Arial,sans-serif;font-size:13px;text-align:left;background-color:rgb(255,255,255)">Physical
Review B</i><span style="color:rgb(34,34,34);font-family:Arial,sans-serif;font-size:13px;text-align:left;background-color:rgb(255,255,255);display:inline"><span> </span>87.7 (2013):
075447.</span>" and we would like to reproduce such
outcomes for our research. Please tell me the steps needed
to be followed to reproduce such graphs.</div>
<div style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
</div>
<div style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
Kazem Zhour</div>
<div style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
PhD student</div>
<div style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
University of Santiago de compostela</div>
</div>
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<pre class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-quote-pre">_______________________________________________
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</blockquote>
<pre class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-signature" cols="72">--
Oleksandr Motornyi
PhD candidate
Laboratoire de Solides Irradies
Ecole Polytechnique (Palaiseau, France)</pre>
</div>
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