<div dir="ltr"><div><div><div><div><br></div>Hi everybody,<br><br></div>Let me insist with a question I posted two days ago.<br></div>I interpret from the manual that one can compute a few phonon irreducible representations. If this means that one can compute a few phonon frequencies for a big system that could be useful to do short convergence tests. I guess these frequencies are true for a high symmetry system, but for a low symmetry system I do not know (should I ) how the irreducible representations can be determined before diagonalizing the full dynamical matrix. I have mad a test using last_irr = 10 , and then last_irr = 14, and I get different frequencies. Maybe I do something wrong, or maybe I just do not understand the goal of "last_irr" keyword. I appreciate that someone kindly clarifies this issue. <br><br></div><div>Best regards<br></div><div>Eduardo<br><br></div><div><div><div><div><div><div><div><br>Date: Tue, 22 Dec 2015 14:48:45 -0300<br>Subject: [Pw_forum] a few frequencies in PHONON calculation<br><div>Hi, <br>I
have one doubt about the PHONON code. Is it possible to compute just a
few phonon frequencies using the PHONON keywords last_irr, ldiag ? For
example, using <br> <br>last_irr = 10,<br> ldiag=.true.,,<br><br></div>may one find the frequencies of just the first irreducible representations ?<br><div><br></div>Thank you, <br><br><br clear="all"><div><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr">
<div>Eduardo Menendez Proupin<br>Departamento de Fisica, Facultad de Ciencias, Universidad de Chile <br>URL: <a href="http://www.gnm.cl/emenendez" target="_blank">http://www.gnm.cl/emenendez</a></div><div><br></div><div>
<div title="Page 229">
<div>
<div>
<div>
<p><span style="font-size:9pt;font-family:"AdvOTf9433e2d""><font size="1">“No cometerás actos impuros ni publicarás en revistas open-acces”</font><br></span></p>
</div>
</div>
</div>
</div></div></div></div></div></div></div>
</div></div></div></div></div></div></div></div>