Dear Prof. Giannozzi Thank you very much. I must understood that.
Yours On Tue, Oct 18, 2011 at 5:23 PM, Paolo Giannozzi <giannozz at democritos.it>wrote: > > On Oct 17, 2011, at 15:46 , Seyed Mojtaba Rezaei Sani wrote: > > > Recalculating omega(q) from C(R) > > Cannot match namelist object name alas444.fc, > > in QHA/Examples/Edit_Me, there is a line > FC_file='alas444.fc' > replace it with > FC_file="'alas444.fc'" > > Alternatively, in the following group of lines: > cat >matdyn.init <<EOF > &input > amass(1)=26.98, > amass(2)=74.922, > asr='crystal', > flfrc=$FC_file, > flfrq='frequency' > &end > EOF > replace line > flfrc=$FC_file, > with > flfrc='$FC_file', > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ========================================== Seyed Mojtaba Rezaei Sani Computational Materials Science Research Lab Physics Department, Isfahan University of Technology 84156-83111 Isfahan, Iran Tel lab: +98 311 391 3731 Group page: http://cmsgroup.iut.ac.ir/ s.rezaeisani at ph.iut.ac.ir =========================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111018/f45534e7/attachment.htm