<div dir="ltr">Dear Prof. Giannozzi<br><br>Thank you very much. I must understood that.<br><br>Yours<br><br><div class="gmail_quote">On Tue, Oct 18, 2011 at 5:23 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 Oct 17, 2011, at 15:46 , Seyed Mojtaba Rezaei Sani wrote:<br>
<br>
> Recalculating omega(q) from C(R)<br>
> Cannot match namelist object name alas444.fc,<br>
<br>
</div>in QHA/Examples/Edit_Me, there is a line<br>
FC_file='alas444.fc'<br>
replace it with<br>
FC_file="'alas444.fc'"<br>
<br>
Alternatively, in the following group of lines:<br>
cat >matdyn.init <<EOF<br>
&input<br>
amass(1)=26.98,<br>
amass(2)=74.922,<br>
asr='crystal',<br>
flfrc=$FC_file,<br>
flfrq='frequency'<br>
&end<br>
EOF<br>
replace line<br>
flfrc=$FC_file,<br>
with<br>
flfrc='$FC_file',<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>==========================================<br>Seyed Mojtaba Rezaei Sani<br>Computational Materials Science Research Lab<br>Physics Department, Isfahan University of Technology<br>
84156-83111 Isfahan, Iran<br>Tel lab: +98 311 391 3731 <br>Group page: <a href="http://cmsgroup.iut.ac.ir/" target="_blank">http://cmsgroup.iut.ac.ir/</a><br><a href="mailto:s.rezaeisani@ph.iut.ac.ir" target="_blank">s.rezaeisani@ph.iut.ac.ir</a><br>
===========================================<br>
</div>