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<p>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.<br>
</p>
<div class="moz-cite-prefix">On 18/09/2019 17:43, Kwaoallan Blaze
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAP76UX5fVevh1YrZKORgvZAvUOxOfh417s0TcGv4qoMvPFsdpA@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<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"
moz-do-not-send="true">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" moz-do-not-send="true">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">
<div bgcolor="#FFFFFF">
<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>
</div>
<blockquote type="cite">
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
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>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<a href="http://www.yambo-code.org/index.php"
id="gmail-m_7484945803921541159gmail-m_6190785587043920316LPlnk377770"
target="_blank" moz-do-not-send="true">http://www.yambo-code.org/index.php</a> </div>
<div
id="gmail-m_7484945803921541159gmail-m_6190785587043920316LPBorder_GTaHR0cDovL3d3dy55YW1iby1jb2RlLm9yZy9pbmRleC5waHA."
class="gmail-m_7484945803921541159gmail-m_6190785587043920316LPBorder300720"
style="width:100%;margin-top:16px;margin-bottom:16px;max-width:800px;min-width:424px">
<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">
<tbody>
<tr style="border-spacing:0px" valign="top">
<td style="width:100%">
<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" moz-do-not-send="true">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" moz-do-not-send="true">www.yambo-code.org</a></div>
</td>
</tr>
</tbody>
</table>
</div>
<br>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
</div>
<div
id="gmail-m_7484945803921541159gmail-m_6190785587043920316Signature">
<div
id="gmail-m_7484945803921541159gmail-m_6190785587043920316divtagdefaultwrapper"
dir="ltr"
style="font-size:12pt;color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif">
<div><font size="2" face="'Times New Roman'"
color="#333333"><span
style="line-height:18px"><i>--------------------------------------------------------------------------------------------------</i></span></font></div>
<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" moz-do-not-send="true">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>
</div>
<div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
</div>
<hr style="display:inline-block;width:98%">
<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"
moz-do-not-send="true"><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" moz-do-not-send="true"><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"
moz-do-not-send="true">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"
moz-do-not-send="true"><users@lists.quantum-espresso.org></a><br>
<b>主题:</b> [QE-users] Plasmons</font>
<div> </div>
</div>
<div dir="ltr">
<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>
</div>
</div>
<br>
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class="gmail-m_7484945803921541159gmail-m_6190785587043920316mimeAttachmentHeader"></fieldset>
<pre class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-quote-pre">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-abbreviated" href="http://www.max-centre.eu/quantum-espresso" target="_blank" moz-do-not-send="true">www.max-centre.eu/quantum-espresso</a>)
users mailing list <a class="gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org" target="_blank" moz-do-not-send="true">users@lists.quantum-espresso.org</a>
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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>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a
href="http://www.max-centre.eu/quantum-espresso"
rel="noreferrer" target="_blank"
moz-do-not-send="true">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a
href="mailto:users@lists.quantum-espresso.org"
target="_blank" moz-do-not-send="true">users@lists.quantum-espresso.org</a><br>
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href="https://lists.quantum-espresso.org/mailman/listinfo/users"
rel="noreferrer" target="_blank"
moz-do-not-send="true">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote>
</div>
</blockquote>
</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu/quantum-espresso">www.max-centre.eu/quantum-espresso</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<pre class="moz-signature" cols="72">--
Oleksandr Motornyi
PhD candidate
Laboratoire de Solides Irradies
Ecole Polytechnique (Palaiseau, France)</pre>
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