<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:16px"><div><span></span></div><div></div><div id="yui_3_16_0_1_1488048419231_3251"> Dear All QE users</div><div id="yui_3_16_0_1_1488048419231_17477">I wish to study ScN using GGA+U.</div><div id="yui_3_16_0_1_1488048419231_17476">I am using QE-5.0.1,</div><div id="yui_3_16_0_1_1488048419231_17475">If I understood correctly , I need to modify</div><div id="yui_3_16_0_1_1488048419231_12742" dir="ltr">PW/set_hubbard_l.f90 and PW/tabd.f90</div><div id="yui_3_16_0_1_1488048419231_12743" dir="ltr"><br></div><div id="yui_3_16_0_1_1488048419231_12744" dir="ltr">I found the file PW/src/tabd.f90 but don't see set_hubbard_l.f90 in PW/src</div><div id="yui_3_16_0_1_1488048419231_12745" dir="ltr"> 1. Can any one explain where can I find this ?</div><div id="yui_3_16_0_1_1488048419231_12746" dir="ltr">2. What exact line/values need to be modified ?</div><div dir="ltr">3. exact value of U for ScN ?</div><div id="yui_3_16_0_1_1488048419231_14349" dir="ltr"><br></div><div id="yui_3_16_0_1_1488048419231_14350" dir="ltr">Any further guideline regarding input file is appreciated</div><div id="yui_3_16_0_1_1488048419231_12759" dir="ltr"><br></div><div id="yui_3_16_0_1_1488048419231_14340" dir="ltr">Best Wishes</div><div id="yui_3_16_0_1_1488048419231_12771" dir="ltr">Sohail Ahmad</div><div id="yui_3_16_0_1_1488048419231_12772" dir="ltr">King Khalid University</div><div id="yui_3_16_0_1_1488048419231_12773" dir="ltr">Saudi Arabia</div><div class="signature" id="yui_3_16_0_1_1488048419231_3253"><div id="yui_3_16_0_1_1488048419231_3252"><br></div></div></div></body></html>