[Pw_forum] Problem with Matdyn.x

[Hongze Xia]

Dear QE users and Admins,

I recently ran a phonon calc. for 20 days and it ended up with a problem as the following:

>      Parallel version (MPI), running on     1 processors
> At line 377 of file matdyn.f90 (unit = 5, file = 'stdin')
> Fortran runtime error: Bad integer for item 1 in list input

My input file is like:

> 
>  &input
>     amass(1)=118.71,amass(2)=32.065,
>     asr='crystal', q_in_cryst_coord=.true.
>     flfrc='SnS62.fc',
>     flfrq='SnS62.freq'
>  &end
> K-POINTS crystal
> 151


I made sure that it is REALLY 151 points in total. I looked at the file "matdyn.f90" line 377, it said "read from unit 5 to variable nq", where nq I supposed it is the number of k-points.

The interatomic force constant was generated without an error.

Any suggestion?

Thank you~


Best Regards,
Hongze Xia
PhD candidate in Photovoltaics Engineering
University of New South Wales
Sydney 2052 Australia

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130612/28b46b73/attachment.html>