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</o:shapelayout></xml><![endif]--></head><body lang=EN-GB link="#0563C1" vlink="#954F72"><div class=WordSection1><p class=MsoNormal>Dear users, <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I tried to produce an optical absorption plot, by means of running a simulation on epsilon.x<o:p></o:p></p><p class=MsoNormal>The scf calculation in prior to run was doing fine, but somehow crashes when doing the eps run.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I removed the dump files due to its large size.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>We already tried the following,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>1) nosym=.true.<o:p></o:p></p><p class=MsoNormal>2) using same no. of processors as in scf<o:p></o:p></p><p class=MsoNormal>3) set the k-points manually, setting each with the weight of = 1<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Still there seems to be no luck.<o:p></o:p></p><p class=MsoNormal>The QE version I am using is 5.0, running on 4 cores.<o:p></o:p></p><p class=MsoNormal>Could you look into and thus shed some light on this?<o:p></o:p></p><p class=MsoNormal>Much appreciated if you could do so.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Yours Sincerely,<o:p></o:p></p><p class=MsoNormal>Geoffrey<o:p></o:p></p><p class=MsoNormal><span style='font-size:14.0pt;color:black'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt;color:black'>+--------------------------------</span><span style='font-size:8.0pt;color:black'>---------------------------------------------</span><span style='font-size:8.0pt;color:black'><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt'>H.Y Geoffrey Tse, Postdoctoral, <o:p></o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt'>Room N202, Physics Building<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt'>Peking University<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt'>Haidian District<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt'>Beijing 100871<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt'>P.R China<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt'>Tel: (+86) 18811792348<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt'>Email: geoffrey.tse@pku.edu.cn<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:8.0pt;color:black'>+--------------------------------</span><span style='font-size:8.0pt;color:black'>---------------------------------------------</span><span style='font-size:8.0pt;color:black'><o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>