<div dir="auto">Okay</div><br><div class="gmail_quote"><div dir="ltr">On Wed, Sep 18, 2019, 3:48 PM Oleksandr Motornyi <<a href="mailto:oleksandr.motornyi@polytechnique.edu">oleksandr.motornyi@polytechnique.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
  
    
  
  <div text="#000000" bgcolor="#FFFFFF">
    <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="m_-1759132457473846214moz-cite-prefix">On 18/09/2019 17:43, Kwaoallan Blaze
      wrote:<br>
    </div>
    <blockquote type="cite">
      
      <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" target="_blank" rel="noreferrer">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" rel="noreferrer">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="m_-1759132457473846214gmail-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="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316LPlnk377770" target="_blank" rel="noreferrer">http://www.yambo-code.org/index.php</a> </div>
                    <div id="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316LPBorder_GTaHR0cDovL3d3dy55YW1iby1jb2RlLm9yZy9pbmRleC5waHA." class="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316LPBorder300720" style="width:100%;margin-top:16px;margin-bottom:16px;max-width:800px;min-width:424px">
                      <table id="m_-1759132457473846214gmail-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="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316LPTitle300720">
                                <a id="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316LPUrlAnchor300720" href="http://www.yambo-code.org/index.php" style="text-decoration:none" target="_blank" rel="noreferrer">YAMBO
                                  code - The Yambo project</a></div>
                              <div id="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316LPDescription300720">
                                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="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316LPMetadata300720"> <a class="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-abbreviated" href="http://www.yambo-code.org" target="_blank" rel="noreferrer">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="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316Signature">
                      <div id="m_-1759132457473846214gmail-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="m_-1759132457473846214gmail-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" rel="noreferrer">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="m_-1759132457473846214gmail-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="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-rfc2396E" href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank" rel="noreferrer"><users-bounces@lists.quantum-espresso.org></a>
                            代表 kazem zhour <a class="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-rfc2396E" href="mailto:kazem.zhour@hotmail.com" target="_blank" rel="noreferrer"><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="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org" target="_blank" rel="noreferrer">users@lists.quantum-espresso.org</a>
                            <a class="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-rfc2396E" href="mailto:users@lists.quantum-espresso.org" target="_blank" rel="noreferrer"><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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                    <pre class="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316moz-quote-pre">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="m_-1759132457473846214gmail-m_7484945803921541159gmail-m_6190785587043920316moz-txt-link-abbreviated" href="http://www.max-centre.eu/quantum-espresso" target="_blank" rel="noreferrer">www.max-centre.eu/quantum-espresso</a>)
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                  </blockquote>
                  <pre class="m_-1759132457473846214gmail-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 noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
                users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank" rel="noreferrer">users@lists.quantum-espresso.org</a><br>
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      </div>
      <br>
      <fieldset class="m_-1759132457473846214mimeAttachmentHeader"></fieldset>
      <pre class="m_-1759132457473846214moz-quote-pre">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="m_-1759132457473846214moz-txt-link-abbreviated" href="http://www.max-centre.eu/quantum-espresso" target="_blank" rel="noreferrer">www.max-centre.eu/quantum-espresso</a>)
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    </blockquote>
    <pre class="m_-1759132457473846214moz-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 noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
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