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<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Dear all<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>I am intensively trying to build (or convert) pseudo
potentials of Zr, Y and Lu to make phonon calculations. Unfortunately, all the
PP’s I got, gave weird band structures, very far from what I got with US PPS.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>As anybody these PPS files or a reliable way to check
if a PP is ok or not before trying it in a very long calculation?<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Thanks for your help.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Jérémie<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> <o:p></o:p></span></font></p>
<p class=MsoNormal><st1:PersonName ProductID="Jeremie Teyssier" w:st="on"><strong><b><font
size=3 color=maroon face=Arial><span style='font-size:12.0pt;font-family:Arial;
color:maroon'>Jeremie Teyssier</span></font></b></strong></st1:PersonName><o:p></o:p></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>DPMC</span></font><o:p></o:p></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>24 quai Ernest Ensermet</span></font><o:p></o:p></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>CH-1211 Geneve 4</span></font><span lang=EN-GB><o:p></o:p></span></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>SUISSE</span></font><span lang=EN-GB><o:p></o:p></span></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>tel: (41) 22 379 65 78</span></font><span lang=EN-GB><o:p></o:p></span></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>fax: (41) 22 379 68 69</span></font><span lang=EN-GB><o:p></o:p></span></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>web: </span></font><a
href="http://optics.unige.ch/jeremie/home_jeremie.html"><font size=2
color=maroon face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:
Arial;color:maroon'>http://optics.unige.ch/jeremie/home_jeremie.html</span></font></a><span
lang=EN-GB><o:p></o:p></span></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span lang=EN-GB
style='font-size:12.0pt'><o:p> </o:p></span></font></p>
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