<div dir="ltr"><div class="gmail_extra">Dear Uri,<br><br>see this : <a href="http://pubs.acs.org/doi/abs/10.1021/jp212558p">http://pubs.acs.org/doi/abs/10.1021/jp212558p</a><br><br>I think it is one of the "most extensive" first-principles study on  MX2-Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure.<br>

<br>QE and VASP is used. <br><br>Maybe you can find some useful stuff here:  <a href="http://unam.bilkent.edu.tr/mt2/SIESTA-PHON/PHON/">http://unam.bilkent.edu.tr/mt2/SIESTA-PHON/PHON/</a><br><br>Hope this helps<br><br><br>

Mehmet Topsakal<br>Chemical Engineering and Materials Science,<br>University of Minnesota, Postdoctoral Fellow.<br><a href="https://www.researchgate.net/profile/Mehmet_Topsakal/">www.researchgate.net/profile/Mehmet_Topsakal/</a><br>

</div><div class="gmail_extra"><br></div><div class="gmail_extra"><br><br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">

<div dir="ltr"><div><br></div></div><div class="gmail_extra"><br><br><div class="gmail_quote"><div><div class="h5">On Sat, Jan 11, 2014 at 10:20 AM, Uri Argaman <span dir="ltr"><<a href="mailto:argamanu@post.bgu.ac.il" target="_blank">argamanu@post.bgu.ac.il</a>></span> wrote:<br>


</div></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><div><div class="h5"><div dir="ltr">does anyone knows a work on phonon calculations of  transition metals in hexagonal phases with Quantum-Espresso?<span><font color="#888888"><div>


<br></div><div>Uri Argaman</div><div>Ben-Gurion University</div><div>Israel</div></font></span></div>
<br></div></div>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><span class=""><font color="#888888"><br></font></span></blockquote></div><span class=""><font color="#888888"><br>

<br clear="all"><div><br></div>-- <br><div><br></div><div><a href="http://www.researcherid.com/rid/A-5015-2010" target="_blank"><div><br></div><br></a><div></div>
</div>
</font></span></div></blockquote></div></div></div>