<div dir="ltr"><div>You mean: reproduce another calculation, or experiments? How is the "al.ph.bands.eps" graph obtained?</div><div><br></div><div>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><div><br></div><div>Paolo<br></div><div> </div></div><br><div class="gmail_quote"><div dir="ltr" class="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">users@lists.quantum-espresso.org</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Dear QE users,</div><div>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>I attach here the band plot, in addition I upload all the input SCF and PH calculations, I appreciate any suggestion.</div><div><br></div><div>Thanks in advance,</div><div>Jacopo Simoni, Lawrence Berkeley National Lab.<br></div></div>
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