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<div class="" style="word-wrap:break-word; line-break:after-white-space">If you refer to the sharp change in slope around K, you need to make a jump from K to U. These two points are equivalent. Attached please see one that I did a while back.
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<div class="">Cheers,</div>
<div class="">Vahid</div>
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<div class="">Vahid Askarpour<br class="">
Department of physics and atmospheric science<br class="">
Dalhousie University<br class="">
Halifax, NS<br class="">
CANADA</div>
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<div class="">On Sep 9, 2021, at 1:24 PM, Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" class="">p.giannozzi@gmail.com</a>> wrote:</div>
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<span class="" style="font-weight:bold; font-size:12px">CAUTION:</span> The Sender of this email is not from within Dalhousie.</div>
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<div class="">You mean: reproduce another calculation, or experiments? How is the "al.ph.bands.eps" graph obtained?</div>
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<div class="">Anyway: I don't see anything wrong in the data, apart from self-consistency  thresholds that are a little bit too large (setting thr_conv=1.0e-10 in the scf input and - more importantly - tr2_ph=1.0e-14 or smaller in the phonon input,  improves
 the reliability of the calculation at the price of one second CPu or so).</div>
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<div class="">Paolo<br class="">
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<div dir="ltr" class="x_gmail_attr">On Thu, Sep 9, 2021 at 5:36 AM Jacopo Simoni via users <<a href="mailto:users@lists.quantum-espresso.org" target="_blank" class="">users@lists.quantum-espresso.org</a>> wrote:<br class="">
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<div class="">Dear QE users,</div>
<div class="">I am trying to reproduce the phonon dispersion of FCC aluminum, and overall looks correct except around the K point in the FBZ. I tried everything to solve the issue but I am not able to get rid of it.</div>
<div class="">I attach here the band plot, in addition I upload all the input SCF and PH calculations, I appreciate any suggestion.</div>
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<div class="">Thanks in advance,</div>
<div class="">Jacopo Simoni, Lawrence Berkeley National Lab.<br class="">
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<div class="">Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br class="">
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br class="">
Phone +39-0432-558216, fax +39-0432-558222<br class="">
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