<div dir="ltr">Thank you very much!<div><br></div><div>Bests,</div><div>Mohaddeseh</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Oct 17, 2020 at 3:03 PM pboulet <<a href="mailto:pascal.boulet@univ-amu.fr">pascal.boulet@univ-amu.fr</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 style="overflow-wrap: break-word;">Hello,<div><br></div><div>According to me:</div><div>- compare with experimental data</div><div>- compare with more sophisticated methods (GW, BSE, …)</div><div><br></div><div>Best,<br><div>
<div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="text-align:start;text-indent:0px"><div style="color:rgb(0,0,0);letter-spacing:normal;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><span style="font-size:16pt;font-family:Mistral">Pascal Boulet</span></div><div style="color:rgb(0,0,0);letter-spacing:normal;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><font face="Lucida Handwriting"><span style="font-size:21px">—</span></font></div><div style="color:rgb(0,0,0);letter-spacing:normal;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><em 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><div style="color:rgb(0,0,0);letter-spacing:normal;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;font-family:Tahoma,Verdana,Arial,Helvetica,sans-serif;font-size:15px;line-height:22px"><span style="font-size:11px;font-family:verdana">University of Aix-Marseille </span><span style="font-size:11px;font-family:verdana">- Avenue Escadrille Normandie Niemen - F-13013 Marseille - FRANCE</span></div><div style="color:rgb(0,0,0);letter-spacing:normal;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;font-family:Tahoma,Verdana,Arial,Helvetica,sans-serif;font-size:15px;line-height:22px"><span 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 style="color:rgb(0,0,0);letter-spacing:normal;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><font face="verdana"><span style="font-size:12px;line-height:22px">Email : </span></font><font color="#22bbea" face="verdana"><span style="font-size:12px;line-height:20px"><a href="mailto:pascal.boulet@univ-amu.fr" target="_blank">pascal.boulet@univ-amu.fr</a></span></font></div><div style="font-size:14px"><br></div></div></div></div></div><br></div><br></div><br></div><br></div><br><br>
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<div><br><blockquote type="cite"><div>Le 17 oct. 2020 à 13:09, Mohad Abbasnejad <<a href="mailto:mohaddeseh.abbasnejad@gmail.com" target="_blank">mohaddeseh.abbasnejad@gmail.com</a>> a écrit :</div><br><div><div dir="ltr">  Dear experts,<div><br></div><div><div style="margin-top:10px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:12px"><div style="border:0px;text-transform:inherit;margin:0px;padding:0px;color:inherit;font-size:0.875rem;line-height:1.3"><div><div><span><div 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 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 style="border:0px;text-transform:inherit;margin:0px;padding:0px;color:inherit;font-size:0.875rem;line-height:1.3"><br></div><div style="border:0px;text-transform:inherit;margin:0px;padding:0px;color:inherit;font-size:0.875rem;line-height:1.3">Regards,</div><div 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><br></div>-- <br><div dir="ltr">---------------------------------------------------------<br>Mohaddeseh Abbasnejad, <br>Assistant Professor of Physics,<br>Faculty of Physics, <br>Shahid Bahonar University of Kerman,<br>Kerman, Iran<br>P.O. Box 76169-133<br>Tel: +98 34 31322199<br>Fax: +98 34 33257434<br>Cellphone: +98 917 731 7514<br>E-Mail:     <a href="mailto:mohaddeseh.abbasnejad@gmail.com" target="_blank">mohaddeseh.abbasnejad@gmail.com</a><br>Website:  <a href="http://academicstaff.uk.ac.ir/moabbasnejad" target="_blank">academicstaff.uk.ac.ir/moabbasnejad</a> <br>---------------------------------------------------------<br><br></div></div>
_______________________________________________<br>Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" target="_blank">www.max-centre.eu</a>)<br>users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div></blockquote></div><br></div></div>_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature">---------------------------------------------------------<br>Mohaddeseh Abbasnejad, <br>Assistant Professor of Physics,<br>Faculty of Physics, <br>Shahid Bahonar University of Kerman,<br>Kerman, Iran<br>P.O. Box 76169-133<br>Tel: +98 34 31322199<br>Fax: +98 34 33257434<br>Cellphone: +98 917 731 7514<br>E-Mail:     <a href="mailto:mohaddeseh.abbasnejad@gmail.com" target="_blank">mohaddeseh.abbasnejad@gmail.com</a><br>Website:  <a href="http://academicstaff.uk.ac.ir/moabbasnejad" target="_blank">academicstaff.uk.ac.ir/moabbasnejad</a> <br>---------------------------------------------------------<br><br></div>