<div dir="ltr">follow this link <br><br><a href="http://www.quantum-espresso.org/pseudopotentials/pslibrary/">http://www.quantum-espresso.org/pseudopotentials/pslibrary/</a><br></div><div class="gmail_extra"><br><div class="gmail_quote">2016-06-11 19:28 GMT+02:00 Mohssine El Bachra <span dir="ltr"><<a href="mailto:mohssmpi@gmail.com" target="_blank">mohssmpi@gmail.com</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><font size="4">Dear QE users,</font><div><font size="4"><br></font></div><div><div><font size="4">I have not found in the site <a href="http://s.bl-1.com/h/1dKh6Vg?url=http://quantum-espresso.org/" target="_blank">quantum-espresso.org</a> the pseudopotentials (PAW) for the atom of Barium and Zirconium.</font></div><div><font size="4">I want a pseudopotential that has these characteristics:</font></div><div><font size="4"><br></font></div><div><font size="4"><div><pre style="margin-top:0px;margin-bottom:0px;padding:0px;color:rgb(51,51,51);font-size:13px;line-height:18px">Pseudopotential type: PAW
Method: Projector Augmented-Wave (Kresse-Joubert paper)
Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
Nonlinear core correction
scalar relativistic
</pre></div><div><br></div></font></div><div><font size="4">thank you in advance,</font></div></div><div><font size="4"><br></font></div><div><font color="#999999">----------------------------------------------------------------------------------</font></div><div><font color="#999999">Mohssine EL BACHRA. </font></div><div><font color="#999999">PhD student in the Faculty of Science Rabat Morocco.</font></div><div><font color="#999999">Laboratory of Magnetism and Physics of High Energy (LMPHE)</font></div><div><font size="4"><br></font></div><div><font size="4"><br></font></div><div><font size="4"><br></font></div><div><font size="4"><br></font></div><div><font size="4"><br></font></div><img src="http://s.bl-1.com/pvtfMYh.gif" height="1" width="1"></div><div hspace="streak-pt-mark" style="max-height:1px"><img style="width:0px;max-height:0px;overflow:hidden" src="https://mailfoogae.appspot.com/t?sender=abW9oc3NtcGlAZ21haWwuY29t&type=zerocontent&guid=e32bab49-f282-482d-b584-f9df369cb087"><font color="#ffffff" size="1">ᐧ</font></div>
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