<div dir="ltr">Hi Rajdeep,<div>can u help me for installation of "Quantum Espresso" Plz </div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr">Thanks & regards <br>Suryakant Mishra<div>Indian Institute of Technology Indore </div></div></div></div></div></div>
<br><div class="gmail_quote">On Thu, Jul 9, 2015 at 9:27 AM, Rajdeep Banerjee <span dir="ltr"><<a href="mailto:rajdeep.jzs@gmail.com" target="_blank">rajdeep.jzs@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>Dear all,<br></div>            I tried to run pdos calculation in my system with spin-orbit coupling, in espresso-5.1.1, 5.1.2 and 5.2.0 but got the same error, i.e. <br clear="all"><div><div><br>Calling projwave_nc ....<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine d_matrix_so (5):<br>     D_S (j=1/2) for this symmetry operation is not unitary<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ..<br><br></div><div>If anyone has any idea how to resolve the issue, please share. I have attached the input files so that one can reproduce the error.<br><br></div><div>thanks and regards,<span class="HOEnZb"><font color="#888888"><br></font></span></div><span class="HOEnZb"><font color="#888888"><br>-- <br><div><div dir="ltr">Rajdeep Banerjee<br>PhD student<div>JNCASR, Bangalore</div><div>India</div></div></div>
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