[Pw_forum] QHA runtime error

[Seyed Mojtaba Rezaei Sani]

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
>
>
>
>
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>



-- 
==========================================
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
===========================================
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