<div dir="ltr"><div><div>Dear QE users,<br><br>I want to calculate the transition dipole moment between conduction and valence bands for an isolated molecule using QE. I searched the forum but didn't find much information.<br>Can anyone give me some suggestions?<br clear="all"><br></div>Thanks,<br></div>Huy<br><div><div><br>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><font size="2"><span style="font-family:arial,helvetica,sans-serif">Huy Pham, <span>PhD<br></span></span></font></div><div><font size="2"><span style="font-family:arial,helvetica,sans-serif"><span>Postdoctoral Researcher<br></span></span></font></div><div dir="ltr"><div style="color:rgb(0,0,0);font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"><font size="2"><span style="font-family:arial,helvetica,sans-serif">Department of Chemistry and Biochemistry<br>University of California, San Diego</span></font></div><div style="color:rgb(0,0,0);font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"><font size="2"><span style="font-family:arial,helvetica,sans-serif">9500 Gilman Drive</span></font></div><div style="color:rgb(0,0,0);font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"><font size="2"><span style="font-family:arial,helvetica,sans-serif">Urey Hall 4205</span></font></div><div style="color:rgb(0,0,0);font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"><font size="2"><span style="font-family:arial,helvetica,sans-serif">La Jolla, CA 92093</span></font></div><font size="2"><span style="font-family:arial,helvetica,sans-serif">E-mail: <br><a href="mailto:pchuy1906@gmail.com" target="_blank">pchuy1906@gmail.com</a> <br></span></font><br></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
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