<div>Thanks Paolo.</div>
<div>             shruba<br><br> </div>
<div><span class="gmail_quote">On 6/21/07, <b class="gmail_sendername">Paolo Giannozzi</b> <<a href="mailto:giannozz@nest.sns.it">giannozz@nest.sns.it</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"><br>On Jun 21, 2007, at 9:45 , <a href="mailto:shruba@gmail.com">shruba@gmail.com</a> wrote:<br><br>> Still in vc -relax calculation I am facing some issues, the optimum
<br>> lattice parameter shows a 0.1 Angstrom difference in the<br>> calculation, though I<br>> used same K points and cut off and other parameter<br><br>the usage of the modified kinetic functional may make a sizable
<br>difference<br><br>P.<br>---<br>Paolo Giannozzi, Democritos and University of Udine, Italy<br><br><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org
</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br>shruba gangopadhyay<br>graduate student<br>department of chemistry
<br>university of central florida<br>orlando, FL-32826<br>'friendship doubles joys and reduces sorrows by half' (Francis Bacon).