Hi,<div><br></div><div>Does it mean that I cant work with the berry phase in case I have semiconducting stucture ?<br><div><br><div class="gmail_quote">On Mon, May 23, 2011 at 12:53 PM, 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 May 23, 2011, at 5:27 , swapnil chandratre wrote:<br>
<br>
> I receive the following error when I perform the nscf<br>
> calculation after completing the  scf calculation...<br>
<br>
</div>look at example10, compare with your data. Consider<br>
that berry's phase calculations are allowed only in<br>
insulators.<br>
<br>
P.<br>
---<br>
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" value="+390432558216">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222">+39-0432-558222</a><br>
<br>
<br>
<br>
<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Regards,<br>Swapnil Chandratre<br>Graduate Student<br>Dept. of Mechanical Engineering,<br>University of Houston,<br>Houston, TX<br>(M)-713-294-9546<br>
</div></div>