[Pw_forum] QHA runtime error

[Paolo Giannozzi]

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