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<p>Hello,</p>
<p>that is the non-analytical contribution to the LO-TO split. You
have to keep in mind that Gamma is actually infinity, and you can
go to infinity in many different ways. The theory is in X. Gonze,
J.-C. Charlier, D.C. Allan, and M.P. Teter Phys. Rev. B 50, 13035
(1994)</p>
<p><br>
</p>
<p>kind regards<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 13/06/2024 21:57, Karkee, Rijan via
users wrote:<br>
</div>
<blockquote type="cite"
cite="mid:PH0PR09MB107344517D8276DCCF9DBA570C4C12@PH0PR09MB10734.namprd09.prod.outlook.com">
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Dear QE users,</div>
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<br>
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I am seeing discontinuity in phonon bandstructure at Gamma. Is
there a way to get rid of this or is this trying to tell
something?</div>
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<br>
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Also, like for electronic band calculation in pw.x (using
crystal_c or tpiba_c) is there a way to have 2D plot of phonon
dispersion?</div>
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<br>
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Thanks for your suggestions.</div>
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<br>
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<br>
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Best</div>
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Rijan</div>
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<br>
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LANL</div>
<br>
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<div class="moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br>
phone: +33 (0)1 442 79822 / skype: paulatz<br>
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