Dear Paolo,Goranka, and all QE users,<br><br> I want to generate <a name="SECTION000123010000000000000">nonrelativistic and relativistic USPP/NCPP</a> with/without spin-orbit interaction for rare eaths.<br> It seems, after reading the "espresso-4.1.2/atomic_doc" that pp for rare-earths can be generated.<br>
By the way <a href="http://www.quantum-espresso.org/user_guide/node56.html">http://www.quantum-espresso.org/user_guide/node56.html</a>, question-<a name="SECTION000123020000000000000">11.3.0.2,</a> tells about code "atomic". where can i find it? is it "ld1.x" or different?<br>
<br>Thanks for your kind help !!<br><br>With Kind Regards<br>Sonu Kumar<br><br>Phd Student<br>Physics Department<br>Indian Institute of Technology <br>Delhi-110016, India<br>web:-<a href="http://www.iitd.ac.in/">http://www.iitd.ac.in/</a><br>
<br><br>> > Can anybody tell/give me PP generation files/links etc., to generate<br>
> > "PP" for rare earth elements using *ld1.x* ?<br>
> > <a href="http://www.quantum-espresso.org/pseudo.php" target="_blank">http://www.quantum-espresso.org/pseudo.php</a> doesn't contain pp for rare<br>
> > earths.<br>
><br>
> there is a good reason for this:<br>
> <a href="http://www.quantum-espresso.org/user_guide/node56.html" target="_blank">http://www.quantum-espresso.org/user_guide/node56.html</a><br>
><br>
><br>
><br>
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>However, last year there was a message about PAW for rare earths (without<br>
>details):<br>
<a href="http://www.democritos.it/pipermail/pw_forum/2009-May/012897.html" target="_blank">>http://www.democritos.it/pipermail/pw_forum/2009-May/012897.html</a><br clear="all"><br>-- <br><br>