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