<html><body><div class="annie-editor"checkbox-data="%7B%7D" uniq="1732775761666" style="font-family: verdana, geneva; font-size: 12pt;"><div class="annie-editor" checkbox-data="%7B%7D" uniq="1732775761666" style="font-family: verdana, geneva; font-size: 12pt;" data-mce-style="font-family: verdana, geneva; font-size: 12pt;"><div><br></div><div><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">Dear QE developers,</span></div><div><br></div><div><p style="margin: 0px;" data-mce-style="margin: 0px;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">Greetings!</span></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><br></p><p><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">I hope this email finds you well. </span></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><br></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">I have recently developed two exchange-correlation functional that have been shown to significantly improve the band gap predictions for a variety of</span></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">semiconductors (particularly III-V & II-VI ones), as demonstrated in our recent publication:</span></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><br></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;"><a href="https://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP03260H" target="_blank" rel="noopener" data-mce-href="https://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP03260H">https://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP03260H</a></span><br data-mce-bogus="1"></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><br></p><p style="margin-bottom: 0cm; line-height: 100%; background: transparent;" data-mce-style="margin-bottom: 0cm; line-height: 100%; background: transparent;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">It would be a great honor if you could include these functionals in the QE. </span></p><p style="margin: 0px; line-height: 100%; background: transparent;" data-mce-style="margin: 0px; line-height: 100%; background: transparent;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">I feel their addition would considerably assist the user community by improving the accuracy of semiconductor simulations.</span></p><p style="margin: 0px; line-height: 100%; background: transparent;" data-mce-style="margin: 0px; line-height: 100%; background: transparent;"><br></p><p style="margin: 0px; line-height: 100%; background: transparent;" data-mce-style="margin: 0px; line-height: 100%; background: transparent;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">Just to note, I saw that they are already implemented in LIBXC:</span><br><br><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;"><a href="https://gitlab.com/libxc/libxc/-/merge_requests/649" data-mce-href="https://gitlab.com/libxc/libxc/-/merge_requests/649">https://gitlab.com/libxc/libxc/-/merge_requests/649</a></span><br data-mce-bogus="1"></p><p style="margin: 0px; line-height: 100%; background: transparent;" data-mce-style="margin: 0px; line-height: 100%; background: transparent;"><br></p><p style="margin: 0px; line-height: 100%; background: transparent;" data-mce-style="margin: 0px; line-height: 100%; background: transparent;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">This might be helpful in facilitating their integration into QE.<br></span></p><p style="margin: 0px; line-height: 100%; background: transparent;" data-mce-style="margin: 0px; line-height: 100%; background: transparent;"><br></p><p style="margin-bottom: 0cm; line-height: 100%; background: transparent;" data-mce-style="margin-bottom: 0cm; line-height: 100%; background: transparent;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">Thank you ever so much for your time and kind consideration.</span></p><p style="margin: 0px; line-height: 100%; background: transparent;" data-mce-style="margin: 0px; line-height: 100%; background: transparent;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">I sincerely appreciate the immense effort and dedication that the Quantum ESPRESSO</span></p><p style="margin: 0px; line-height: 100%; background: transparent;" data-mce-style="margin: 0px; line-height: 100%; background: transparent;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">team invests in developing and maintaining this invaluable computational tool.</span></p><br><p style="margin: 0px;" data-mce-style="margin: 0px;"><br></p><p><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">With best regards,</span></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><span style="font-family: 'times new roman', times; font-size: 12pt;" data-mce-style="font-family: 'times new roman', times; font-size: 12pt;">Satadeep Bhattacharjee</span></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><br></p><p style="margin: 0px;" data-mce-style="margin: 0px;"><br></p></div><div name="HanbiroSignature"><div><div style="font-family: verdana, geneva; font-size: 12pt;" data-mce-style="font-family: verdana, geneva; font-size: 12pt;"><div style="font-family: verdana, geneva; font-size: 12pt;" data-mce-style="font-family: verdana, geneva; font-size: 12pt;"><p style="margin: 0;" data-mce-style="margin: 0;"><strong><span style="background-color: #ecf0f1; color: #3598db;" data-mce-style="background-color: #ecf0f1; color: #3598db;"><em>Satadeep Bhattacharjee, PhD</em></span></strong></p><p style="margin: 0;" data-mce-style="margin: 0;"><strong><span style="background-color: #ecf0f1; color: #3598db;" data-mce-style="background-color: #ecf0f1; color: #3598db;"><em>Team Leader, R&D</em></span></strong></p><p style="margin: 0;" data-mce-style="margin: 0;"><strong><span style="background-color: #ecf0f1; color: #3598db;" data-mce-style="background-color: #ecf0f1; color: #3598db;"><em>Indo-Korea Science and Technology Center,</em></span></strong></p><strong><span style="background-color: #ecf0f1; color: #3598db;" data-mce-style="background-color: #ecf0f1; color: #3598db;"><em>Bangalore-560065</em></span></strong><p style="margin: 0;" data-mce-style="margin: 0;"><strong><span style="background-color: #ecf0f1; color: #3598db;" data-mce-style="background-color: #ecf0f1; color: #3598db;"><em>India</em></span></strong></p><br><p style="margin: 0;" data-mce-style="margin: 0;"><strong><span style="background-color: #ecf0f1; color: #3598db;" data-mce-style="background-color: #ecf0f1; color: #3598db;"><em> </em></span></strong></p></div></div></div></div></div></div></body></html>
<table name="Hanbiro_Groupware_Acknowledgment" style="display:none"><tr><td><img src="https://ikst.hanbiro.net/email/receiveCheck?q=cy5iaGF0dGFjaGFyamVlfGlrc3QucmVzLmlufDE3MzI3NzczMzAuNzU5MjY0fGRi" border="0"></td></tr></table>