<div dir="ltr"><div>If I set the variable lpaw=.false. then I have a USPP, which I have not tested yet. Could you explain why lpaw=.true. in this case brings me a zero bmatrix?<br></div>Thanks a lot.<br></div><div class="gmail_extra"><br><div class="gmail_quote">On 2 June 2017 at 20:56, Ary Junior <span dir="ltr"><<a href="mailto:aryjunior@gmail.com" target="_blank">aryjunior@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div>Hi,<br><br></div>Without any information about your USPP, I think that something is wrong with the B_ij matrix. Its inverse is necessary to construct the projectors. Look for the string "The bmat matrix" in your output file and check whether the matrix makes sense for you. What about the rcut, rcutus and reference energies of additional projectors?<br><br></div><span class="m_-8126289044786672567m_-2765941896586964155m_-8841004571003497628gmail-m_6597902561809868640m_-6321344893763153737m_6333377370348176066gmail-m_-7443609597193345283gmail-m_-4627483426385706070m_-3659475676208332197gmail-m_318366166282958700m_-4069557267744183932m_3925019048408858411m_5074883181905464774gmail-il">Ary Ferreira<br></span><span class="m_-8126289044786672567m_-2765941896586964155m_-8841004571003497628gmail-m_6597902561809868640m_-6321344893763153737m_6333377370348176066gmail-m_-7443609597193345283gmail-m_-4627483426385706070m_-3659475676208332197gmail-m_318366166282958700m_-4069557267744183932m_3925019048408858411m_5074883181905464774gmail-il"><br><span class="m_-8126289044786672567m_-2765941896586964155m_-8841004571003497628gmail-m_6597902561809868640m_-6321344893763153737m_6333377370348176066gmail-m_-7443609597193345283gmail-il"><span class="m_-8126289044786672567m_-2765941896586964155m_-8841004571003497628gmail-il">FAPESP</span></span> </span><span class="m_-8126289044786672567m_-2765941896586964155m_-8841004571003497628gmail-m_6597902561809868640m_-6321344893763153737m_6333377370348176066gmail-m_-7443609597193345283gmail-m_-4627483426385706070m_-3659475676208332197gmail-m_318366166282958700m_-4069557267744183932m_3925019048408858411m_5074883181905464774gmail-il"><span class="m_-8126289044786672567m_-2765941896586964155m_-8841004571003497628gmail-il">postdoctoral</span></span> fellow<br><span class="m_-8126289044786672567m_-2765941896586964155m_-8841004571003497628gmail-m_6597902561809868640m_-6321344893763153737m_6333377370348176066gmail-il">UFSCar</span> - Brazil<br><br></div><div class="gmail_extra"><br><div class="gmail_quote"><div><div class="h5">On Fri, Jun 2, 2017 at 10:14 AM, Ricardo Afonso <span dir="ltr"><<a href="mailto:ricardo@df.ufscar.br" target="_blank">ricardo@df.ufscar.br</a>></span> wrote:<br></div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5"><div dir="ltr"><div><div><div>Dear QE users,<br><br></div>I have tried to generate a pseudo potential, fully relativistic, for Co.<br></div>Unfortunately I got the following error, which might be a bug. Does anyone know what could possibly be wrong?<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br>     Error in routine invmat (1):<br>     error in DGETRF<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br><br></div>Thank you all in advance.<span class="m_-8126289044786672567HOEnZb"><font color="#888888"><br clear="all"><div><div><div><div><div><br>-- <br><div class="m_-8126289044786672567m_1413752992315195525gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div><div>Ricardo Afonso<br></div>Student of Magnetism and Superconductivity Group<br></div><div>Federal University of Sao Carlos<br></div></div></div></div></div></div>
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