<div dir="ltr">First of all, you should try to run a separate scf step ("calculation='scf'", not 'vc-relax') before running the phonon code.<br></div><br><div class="gmail_quote"><div dir="ltr">On Fri, Dec 28, 2018 at 9:33 AM jibiaoli <<a href="mailto:jibiaoli@foxmail.com">jibiaoli@foxmail.com</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><br></div><div><div>Dear Prof. Paolo <span style="display:inline;float:none;background-color:transparent;color:rgb(0,0,0);font-family:Verdana;font-size:14px;font-style:normal;font-variant:normal;font-weight:400;letter-spacing:normal;line-height:21px;text-align:left;text-decoration:none;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">Giannozzi,</span></div><div><span style="display:inline;float:none;background-color:transparent;color:rgb(0,0,0);font-family:Verdana;font-size:14px;font-style:normal;font-variant:normal;font-weight:400;letter-spacing:normal;line-height:21px;text-align:left;text-decoration:none;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"><br></span></div><div><span style="display:inline;float:none;background-color:transparent;color:rgb(0,0,0);font-family:Verdana;font-size:14px;font-style:normal;font-variant:normal;font-weight:400;letter-spacing:normal;line-height:21px;text-align:left;text-decoration:none;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">I am new to phonon calculations. What should I do to remove the error ? Should I specify additional keywords in inputs?</span></div><div><span style="display:inline;float:none;background-color:transparent;color:rgb(0,0,0);font-family:Verdana;font-size:14px;font-style:normal;font-variant:normal;font-weight:400;letter-spacing:normal;line-height:21px;text-align:left;text-decoration:none;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"><br></span></div><div><span style="display:inline;float:none;background-color:transparent;color:rgb(0,0,0);font-family:Verdana;font-size:14px;font-style:normal;font-variant:normal;font-weight:400;letter-spacing:normal;line-height:21px;text-align:left;text-decoration:none;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">Best</span></div><div><span style="display:inline;float:none;background-color:transparent;color:rgb(0,0,0);font-family:Verdana;font-size:14px;font-style:normal;font-variant:normal;font-weight:400;letter-spacing:normal;line-height:21px;text-align:left;text-decoration:none;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"><br></span></div><div><span style="display:inline;float:none;background-color:transparent;color:rgb(0,0,0);font-family:Verdana;font-size:14px;font-style:normal;font-variant:normal;font-weight:400;letter-spacing:normal;line-height:21px;text-align:left;text-decoration:none;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">Jibiao Li</span></div><div><span style="display:inline;float:none;background-color:transparent;color:rgb(0,0,0);font-family:Verdana;font-size:14px;font-style:normal;font-variant:normal;font-weight:400;letter-spacing:normal;line-height:21px;text-align:left;text-decoration:none;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">Yangtze Normal University, China</span></div><div><b></b><i></i><u></u><strike></strike><br></div><div style="font-size:12px;font-family:Arial Narrow;padding:2px 0px">------------------ Original ------------------</div><div style="font-size:12px;background:rgb(239,239,239) none repeat scroll 0% 0%;padding:8px"><div><b>From: </b> "p.giannozzi"<<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>>;</div><div><b>Date: </b> Fri, Dec 28, 2018 04:28 PM</div><div><b>To: </b> "Quantum Espresso users Forum"<<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>>;</div><div></div><div><b>Subject: </b> Re: [QE-users] 'q not allowed' error in phonon dispersioncalculations</div></div><div><br></div><div dir="ltr"><div dir="ltr"></div>On Fri, Dec 28, 2018 at 6:19 AM Fabrizio Cossu <<a href="mailto:fabrizio.cossu@apctp.org" target="_blank">fabrizio.cossu@apctp.org</a>> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">   Dear Jibiao Li,<div>the q-grid must be a subset of the k-grid.<br clear="all"></div></div></blockquote><div><br></div><div>I don't think so. Once upon a time this was true, but it is no longer.</div><div><br></div><div>Paolo</div><div><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 dir="ltr"><div><div>   Regards,</div><div class="gmail-m_-8422181343031517923gmail-m_-4035592663285884272gmail_signature" dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><font face="georgia, serif"><span style="font-size:12.8px">   Fabrizio Cossu</span></font></div></div></div></div></div></div></div></div>
_______________________________________________<br>
users mailing list<br>
<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"><br>-- <br><div class="gmail-m_-8422181343031517923gmail_signature" dir="ltr"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div></div></div>_______________________________________________<br>
users mailing list<br>
<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"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>