Thanks. That clarifies a lot of things.<div><br></div><div>Aman<br><br><div class="gmail_quote">On Wed, Mar 3, 2010 at 12:51 AM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div class="im"><br>
On Mar 3, 2010, at 9:44 , Amandeep Kaur wrote:<br>
<br>
> I get negative phonon frequencies (optical) by keeping those<br>
> parameters<br>
> inside the scf calculation after which the phonon calculation follows.<br>
<br>
</div>I don't think that the phonon code knows about the functional with<br>
modified<br>
kinetic energy, so you shouldn't use it for phonon calculations.<br>
<br>
P.<br>
---<br>
<font color="#888888">Paolo Giannozzi, Dept of Physics, University of Udine<br>
via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
</font><div><div></div><div class="h5"><br>
<br>
<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Amandeep Kaur<br>Graduate Student<br>Department of Physics<br>University of California,Davis<br>
</div>