<div dir="ltr"><div>Dear Weiqing Zhou, <br></div><div><br></div><div>One has to distinguish two things here:</div><div>1) The calculation of the dynamical quadrupole values from DFPT. <br></div><div>This is currently not implemented in QE and I am not aware of somebody working on this, but there might be. <br></div><div>2) Adapting QE and EPW to support and use quadrupole once you have computed them. <br></div><div>For that part, it is already supported in EPW (v5.4) and there is a plan in the relatively near future to support it in q2r.x and matdyn.x for the interpolation of phonon bandstructure. <br></div><div><br></div><div>Hope this helps, <br></div><div>Samuel<br></div><div><br>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><span><font color="#888888"><pre cols="72">------------------------------------------------------------------------------------------------
Dr. Samuel Poncé
Laboratory of theory and simulation of materials
Ecole polytechnique fédérale de Lausanne
Switzerland
Phone: <span>+41 21 693 50 10 </span><br> email: <a href="mailto:samuel.ponce@epfl.ch" target="_blank">samuel.ponce@epfl.ch</a>
web: <a href="https://people.epfl.ch/samuel.ponce/?lang=en" target="_blank">https://people.epfl.ch/samuel.ponce/?lang=en</a>
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