<div dir="ltr"><div>For a smaller cutoff (25 and 250 instead of 45 and 450) it works for me. See here: <a href="http://www.fisica.uniud.it/~giannozz/Public/so-.tar.gz">http://www.fisica.uniud.it/~giannozz/Public/so-.tar.gz</a><br><br></div>Paolo<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Jul 9, 2015 at 5:57 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><span class=""><div>thanks and regards,<br></div><br>-- <br><div><div dir="ltr">Rajdeep Banerjee<br>PhD student<div>JNCASR, Bangalore</div><div>India</div></div></div>
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