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<p>Hi,</p>
<p>there is also BerkeleyGW which also works with QE:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.berkeleygw.org/">http://www.berkeleygw.org/</a><br>
<br>
It's like YAMBO (GW+BSE is possible) but (at least in the past)
you couldn't calculate systems with SOC in which you need to have
spinors.<br>
Same problem as with YAMBO - norm conserving pseudos only...<br>
</p>
<p>Regards</p>
<p>Thomas<br>
</p>
<br>
<div class="moz-cite-prefix">On 02/08/2017 07:06 PM, Federico Iori
wrote:<br>
</div>
<blockquote
cite="mid:496085678.13613929.1486577164471.JavaMail.zimbra@u-psud.fr"
type="cite">
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<div>Hi, HTH<br>
</div>
<div><br>
</div>
<div>1)<br>
</div>
<div>You can try YAMBO directly integrated into the QE suite <br>
</div>
<div><a moz-do-not-send="true">http://www.yambo-code.org/</a></div>
<div><br>
</div>
<div>it is suited for quasiparticle GW electronic structure and
optics calculation (RPA - linear response TDDFT and
Bethe-Salpeter equation including excitionic effects)<br>
</div>
<div>Moreover you have several flavors in the above calculation
that you can add and check as it is reported in the manual
(spin polarization in the BSE for example)<br>
</div>
<div><br>
</div>
<div>There are plenty of examples and tutorial, and tips also in
the dedicated forum.<br>
</div>
<div>Remember that at the moment, if things are not changed,
Yambo is working with Norm Conserving pseudopotential only.<br>
</div>
<div><br>
</div>
<div>2)<br>
</div>
<div>Otherwise there is the GW Wannier code (it should be only
for GW electronic structure calculations)<br>
</div>
<div><a moz-do-not-send="true" href="http://www.gwl-code.org/">http://www.gwl-code.org/</a></div>
<div>and also this one is in the QE package.<br>
</div>
<div><br>
</div>
<div>3) <a moz-do-not-send="true" href="http://west-code.org/">http://west-code.org/</a><br>
</div>
<div><br>
</div>
<div>have a look and check maybe with the developers, if now is
working not only at the Gamma Kpt only.<br>
</div>
<div><br>
</div>
<div>4) The Sax project <br>
</div>
<div><a moz-do-not-send="true"
href="http://www.sax-project.org/">http://www.sax-project.org/</a>
<br>
</div>
<div>(GW calculations)<br>
</div>
<div><br>
</div>
<div>If I forgot something, please, developers forgive me.<br>
</div>
<div><br>
</div>
<div><span name="x"></span>
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<td valign="top">
<div><span style="font-size: 10pt"><b>Federico IORI</b></span></div>
<div><span style="font-size: 10pt">Marie Curie Fellow<br>
Laboratoire de Physique des Solides<br>
Bâtiment 510 - Rue André Rivière<br>
91400 Orsay</span></div>
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<hr id="zwchr">
<div
style="color:#000;font-weight:normal;font-style:normal;text-decoration:none;font-family:Helvetica,Arial,sans-serif;font-size:12pt;"><b>De:
</b>"Kanak Datta" <a class="moz-txt-link-rfc2396E" href="mailto:kanak@umich.edu"><kanak@umich.edu></a><br>
<b>Para: </b>"pw forum" <a class="moz-txt-link-rfc2396E" href="mailto:pw_forum@pwscf.org"><pw_forum@pwscf.org></a><br>
<b>Enviados: </b>Miércoles, 8 de Febrero 2017 18:52:26<br>
<b>Asunto: </b>[Pw_forum] Optical properties and
quasiparticle energy calculation<br>
<div><br>
</div>
<div dir="ltr">
<div>Dear researchers</div>
<div><br>
</div>
<div>As a part of my research, I need to calculate the
optical absorption spectrum and quasiparticle energy
characteristics of monolayer and multilayer Transition
Metal Dichalcogenide materials. I have seen
literature referring to Berkeley GW package that can be
integrated with Quantum Espresso for
quasiparticle calculation. Are there other packages that
can be used for this task?</div>
<div><br>
</div>
<div>I know this post isn't completely in line with Quantum
Espresso and it's feature, so I beg your pardon for any
inconvenience.</div>
<div><br>
</div>
<div>Thanks</div>
<div><br>
</div>
<div>Kanak Datta</div>
<div>
<div class="gmail_signature">
<div dir="ltr">
<div dir="ltr">
<div>Graduate Student</div>
<div>Electrical Engineering and Computer Science</div>
<div>University of Michigan, Ann Arbor<br>
</div>
</div>
</div>
</div>
</div>
</div>
<br>
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<br>
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<pre wrap="">_______________________________________________
Pw_forum mailing list
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<a class="moz-txt-link-freetext" href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></pre>
</blockquote>
<br>
<pre class="moz-signature" cols="72">--
Dr. rer. nat. Thomas Brumme
Max Planck Institute for the Structure and Dynamics of Matter
Luruper Chaussee 149
22761 Hamburg
Tel: +49 (0)40 8998 6557
email: <a class="moz-txt-link-abbreviated" href="mailto:Thomas.Brumme@mpsd.mpg.de">Thomas.Brumme@mpsd.mpg.de</a>
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