<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div dir="auto" style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Hello,<div class=""><br class=""></div><div class="">Perhaps this website can be helpful for your purpose:</div><div class=""><a href="https://www.lct.jussieu.fr/pagesperso/contrera/zcam2022/Chembondlab-ZCAM2021.pdf" class="">https://www.lct.jussieu.fr/pagesperso/contrera/zcam2022/Chembondlab-ZCAM2021.pdf</a></div><div class=""><br class=""></div><div class="">It is difficult to say if your result is right or not without more information (input data). Maybe you have the impression that the picture is “not good” because your grid is too coarse, or you have cut the ELF into a “uninteresting” plane. </div><div class=""><br class=""></div><div class="">In my opinion, the main question you have to ask yourself is: can I interpret this figure?</div><div class=""><br class=""></div><div class="">Hope this help,</div><div class="">Best regards,<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">Le 18 août 2024 à 05:40, Nithish Sriram MKU-SCHOLAR <<a href="mailto:fos10293@mkuniversity.org" class="">fos10293@mkuniversity.org</a>> a écrit :</div><br class="Apple-interchange-newline"><div class=""><meta http-equiv="Content-Type" content="text/html; charset=utf-8" class=""><div style="border:solid #a1c2ff 1px;text-align: center" class=""><p class="x_MsoNormal" style="line-height: 1.4; background: #eee; padding: 10px;">
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<span style="font-size: 0.875rem;color: #272424" class="">Ce mail provient de l'extérieur, restons vigilants</span>
</p></div><div dir="ltr" class=""><div class="">Dear users</div><div class=""><br class=""></div><div class="">I am running ELF in QE. I came across several posts saying ELF in QE is not fully implemented. I ran calculations and got results for a system. I am attaching the plot with this mail. Can someone check whether it is reasonable to use this for publication? <br class=""></div><div class="">I think no. What should I do in this case?</div><div class=""><br class=""></div><div class="">Can someone help me calculate the ELF using quantum espresso.. <br class=""></div><div class=""><br class=""></div><div class="">Thank you</div><div class=""><br class=""></div><div class="">K. Nithish Sriram</div><div class="">Madurai Kamaraj University</div><div class="">Madurai</div><div class="">India<br class=""></div></div>
<span id="cid:f_lzz0prdc1"><ELF.png></span>_______________________________________________<br class="">The Quantum ESPRESSO community stands by the Ukrainian<br class="">people and expresses its concerns about the devastating<br class="">effects that the Russian military offensive has on their<br class="">country and on the free and peaceful scientific, cultural,<br class="">and economic cooperation amongst peoples<br class="">_______________________________________________<br class="">Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" class="">www.max-centre.eu</a>)<br class="">users mailing list <a href="mailto:users@lists.quantum-espresso.org" class="">users@lists.quantum-espresso.org</a><br class=""><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br class=""></div></blockquote></div><br class=""><div class="">
<div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div dir="auto" style="font-family: Baskerville; font-size: 18px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div class=""><font face="Brush Script MT" size="4" class="">Pascal Boulet</font></div><div class=""><span style="font-size: 21px; font-family: "Lucida Handwriting";" class="">—</span></div><div class=""><em class="" style="color: rgb(34, 187, 234); font-family: verdana; font-size: 11px; line-height: 22px;">Full Professor (PR1) in computational materials chemistry - DEPARTMENT OF CHEMISTRY</em></div><div class=""><div class="" style="font-family: Tahoma, Verdana, Arial, Helvetica, sans-serif; font-size: 15px; line-height: 22px;"><span class="" style="font-size: 11px; font-family: verdana;">University of Aix-Marseille </span><span class="" style="font-size: 11px; font-family: verdana;">- Avenue Escadrille Normandie Niemen - F-13013 Marseille - FRANCE</span></div><div class=""><font face="Verdana" class=""><span style="font-style: normal; font-size: 11px;" class=""><font class=""><span class="" style="line-height: 22px;">Email : </span></font><font color="#22bbea" class=""><span style="line-height: 20px;" class=""><a href="mailto:pascal.boulet@univ-amu.fr" class="">pascal.boulet@univ-amu.fr</a></span></font></span></font></div></div></div></div></div></div>
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