<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"><head><meta http-equiv=Content-Type content="text/html; charset=us-ascii"><meta name=Generator content="Microsoft Word 14 (filtered medium)"><style><!--
/* Font Definitions */
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
@font-face
{font-family:"Comic Sans MS";
panose-1:3 15 7 2 3 3 2 2 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0in;
margin-bottom:.0001pt;
font-size:11.0pt;
font-family:"Calibri","sans-serif";}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:purple;
text-decoration:underline;}
span.EmailStyle17
{mso-style-type:personal-compose;
font-family:"Calibri","sans-serif";
color:windowtext;}
.MsoChpDefault
{mso-style-type:export-only;
font-family:"Calibri","sans-serif";}
@page WordSection1
{size:8.5in 11.0in;
margin:1.0in 1.0in 1.0in 1.0in;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal>I just had a quick look at the source code, phq.readin.f90 in QE release 5.3.0, and see that support of lda_plus_u is still not supported for the calculation of electron-phonon interactions in Hubbard manifolds. It’s been a number of years since this issue was originally posted on pw_forum. Is their a particular problem within the QE formalism, maybe in the basis set resulting from a Hubbard calculation, that would make this extremely difficult…or impossible…to implement? What source code routines would need modification/replacement?<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Thanks, -Paul <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><b><i><span style='font-size:13.5pt;font-family:"Comic Sans MS";color:#1F497D'>Paul Michael Grant, PhD<o:p></o:p></span></i></b></p><p class=MsoNormal><b><i><span style='font-family:"Comic Sans MS";color:#1F497D'>Physicist and Science Writer<o:p></o:p></span></i></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Senior Life Fellow, American Physical Society<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Fellow, Institute of Physics, United Kingdom<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>APS Distinguished Lecturer on Applications of Physics (2014-15) <o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Staff Associate, Jet Propulsion Laboratory, NASA (2011-15)</span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Visiting Scholar, Applied Physics, Stanford (2005-2008)</span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>EPRI Science Fellow (Retired)</span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>IBM Research Staff Member/Manager Emeritus</span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Principal, W2AGZ Technologies<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'><a href="mailto:w2agz@w2agz.com"><span style='color:black'>w2agz@w2agz.com</span></a></span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'><a href="http://www.w2agz.com/"><b><span style='color:black'>http://www.w2agz.com</span></b></a></span><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>