<div dir="ltr"><div>Hello, Min.<br>If you get that specific error, it is because the pseudopotential you have used are actually ultrasoft or PAW. I recommend used the ONCV pseudopotentials from here: <a href="http://www.quantum-simulation.org/potentials/sg15_oncv/upf/">http://www.quantum-simulation.org/potentials/sg15_oncv/upf/</a><br><br></div><div>kind regards<br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On 21 May 2017 at 01:10, Min Hong <span dir="ltr"><<a href="mailto:m.hong1@uq.edu.au" target="_blank">m.hong1@uq.edu.au</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">




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<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif">Dear QE users,<br>
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<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif"><br>
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<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif">I am doing d3q calculations. I am not using ultrasoft pseudopotentials. But, there is always an error:<br>
</span></p>
<p><br>
<span style="font-family:Calibri,Arial,Helvetica,sans-serif"></span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif">from d3_readin : error #  1  </span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif">US not implemented<br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif"><br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif">Could you help to fix this error?<br>
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<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif"><br>
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<span style="font-family:Calibri,Arial,Helvetica,sans-serif">I have tried with <span style="font-family:Calibri,Arial,Helvetica,sans-serif">
pseudopotentials</span> of pbe and pz to run phonon calculation, which are not <span style="font-family:Calibri,Arial,Helvetica,sans-serif">
ultrasoft</span>. But I still get this error.<br>
</span>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif"><br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif">In my calculation, when I use nonconversing
<span style="font-family:Calibri,Arial,Helvetica,sans-serif">pseudopotentials</span>, there is error of "S matrix not positive definite". So, maybe
<span style="font-family:Calibri,Arial,Helvetica,sans-serif">nonconversing <span style="font-family:Calibri,Arial,Helvetica,sans-serif">
pseudopotentials</span></span> cannot be used in this calculation.<br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif"><br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif">Thank you very much.<br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif"><br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif">Kind regards,<br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif"><br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif">Min Hong <br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif"><br>
</span></p>
<p><span style="font-family:Calibri,Arial,Helvetica,sans-serif"><br>
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<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/<wbr>listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div>Dr. Lorenzo Paulatto </div><div>IdR @ IMPMC -- CNRS & Université Paris 6</div><div>phone: +33 (0)1 442 79822 / skype: paulatz</div><div>www:   <a href="http://www-int.impmc.upmc.fr/~paulatto/" target="_blank">http://www-int.impmc.upmc.fr/~paulatto/</a></div><div>mail:  23-24/421 Boîte courrier 115, 4 place Jussieu 75252 Paris CX 05</div></div></div></div></div></div>
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