<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="">Hello,<div class=""><br class=""></div><div class="">According to me:</div><div class="">- compare with experimental data</div><div class="">- compare with more sophisticated methods (GW, BSE, …)</div><div class=""><br class=""></div><div class="">Best,<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="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="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="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div class="" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; text-decoration: none; -webkit-text-stroke-width: 0px;"><span class="" style="font-size: 16pt; font-family: Mistral;">Pascal Boulet</span></div><div class="" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; text-decoration: none; -webkit-text-stroke-width: 0px;"><font face="Lucida Handwriting" class=""><span class="" style="font-size: 21px;">—</span></font></div><div class="" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; text-decoration: none; -webkit-text-stroke-width: 0px;"><em class="" style="color: rgb(34, 187, 234); font-family: verdana; font-size: 11px; line-height: 22px;">Professor in computational materials - DEPARTMENT OF CHEMISTRY</em></div><div class=""><div class="" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; text-decoration: none; -webkit-text-stroke-width: 0px; 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="" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; text-decoration: none; -webkit-text-stroke-width: 0px; font-family: Tahoma, Verdana, Arial, Helvetica, sans-serif; font-size: 15px; line-height: 22px;"><span class="" style="font-size: 11px; font-family: verdana;">Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50</span></div><div class="" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; text-decoration: none; -webkit-text-stroke-width: 0px;"><font face="verdana" class=""><span class="" style="font-size: 12px; line-height: 22px;">Email : </span></font><font color="#22bbea" face="verdana" class=""><span style="font-size: 12px; line-height: 20px;" class=""><a href="mailto:pascal.boulet@univ-amu.fr" class="">pascal.boulet@univ-amu.fr</a></span></font></div><div class="" style="font-size: 14px;"><br class=""></div></div></div></div></div><br class="Apple-interchange-newline"></div><br class="Apple-interchange-newline"></div><br class="Apple-interchange-newline"></div><br class="Apple-interchange-newline"></div><br class="Apple-interchange-newline"><br class="Apple-interchange-newline">
</div>
<div><br class=""><blockquote type="cite" class=""><div class="">Le 17 oct. 2020 à 13:09, Mohad Abbasnejad <<a href="mailto:mohaddeseh.abbasnejad@gmail.com" class="">mohaddeseh.abbasnejad@gmail.com</a>> a écrit :</div><br class="Apple-interchange-newline"><div class=""><meta http-equiv="Content-Type" content="text/html; charset=utf-8" class=""><div dir="ltr" class="">  Dear experts,<div class=""><br class=""></div><div class=""><div class="gmail-nova-v-question-item__stack-item" style="margin-top:10px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:12px"><div class="gmail-nova-e-text--family-sans-serif gmail-nova-e-text--color-inherit gmail-nova-e-text--spacing-none gmail-nova-e-text--size-m gmail-nova-e-text gmail-nova-e-expandable-text" style="border:0px;text-transform:inherit;margin:0px;padding:0px;color:inherit;font-size:0.875rem;line-height:1.3"><div class="gmail-nova-e-expandable-text__container"><div class=""><span class="gmail-Linkify"><div class="gmail-nova-e-text--family-sans-serif gmail-nova-e-text--color-inherit gmail-redraft-text gmail-nova-e-text--size-m gmail-nova-e-text gmail-nova-e-text--spacing-s" style="border:0px;text-transform:inherit;margin:0px;padding:0px;color:inherit;font-size:0.875rem;line-height:1.3">Actually, one of the challenging problems in calculating the optical properties by DFT method (using PBE or mbJ) is its accuracy. So, how is it possible to demonstrate the reliability of the results obtained by this method?</div><div class="gmail-nova-e-text--family-sans-serif gmail-nova-e-text--color-inherit gmail-redraft-text gmail-nova-e-text--size-m gmail-nova-e-text gmail-nova-e-text--spacing-s" style="border:0px;text-transform:inherit;margin:0px;padding:0px;color:inherit;font-size:0.875rem;line-height:1.3">Any comments would be appreciated.</div><div class="gmail-nova-e-text--family-sans-serif gmail-nova-e-text--color-inherit gmail-redraft-text gmail-nova-e-text--size-m gmail-nova-e-text gmail-nova-e-text--spacing-s" style="border:0px;text-transform:inherit;margin:0px;padding:0px;color:inherit;font-size:0.875rem;line-height:1.3"><br class=""></div><div class="gmail-nova-e-text--family-sans-serif gmail-nova-e-text--color-inherit gmail-redraft-text gmail-nova-e-text--size-m gmail-nova-e-text gmail-nova-e-text--spacing-s" style="border:0px;text-transform:inherit;margin:0px;padding:0px;color:inherit;font-size:0.875rem;line-height:1.3">Regards,</div><div class="gmail-nova-e-text--family-sans-serif gmail-nova-e-text--color-inherit gmail-redraft-text gmail-nova-e-text--size-m gmail-nova-e-text gmail-nova-e-text--spacing-s" style="border:0px;text-transform:inherit;margin:0px;padding:0px;color:inherit;font-size:0.875rem;line-height:1.3">Mohaddeseh</div></span></div></div></div></div></div><div class=""><br class=""></div>-- <br class=""><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature">---------------------------------------------------------<br class="">Mohaddeseh Abbasnejad, <br class="">Assistant Professor of Physics,<br class="">Faculty of Physics, <br class="">Shahid Bahonar University of Kerman,<br class="">Kerman, Iran<br class="">P.O. Box 76169-133<br class="">Tel: +98 34 31322199<br class="">Fax: +98 34 33257434<br class="">Cellphone: +98 917 731 7514<br class="">E-Mail:     <a href="mailto:mohaddeseh.abbasnejad@gmail.com" target="_blank" class="">mohaddeseh.abbasnejad@gmail.com</a><br class="">Website:  <a href="http://academicstaff.uk.ac.ir/moabbasnejad" target="_blank" class="">academicstaff.uk.ac.ir/moabbasnejad</a> <br class="">---------------------------------------------------------<br class=""><br class=""></div></div>
_______________________________________________<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></div></blockquote></div><br class=""></div></body></html>