[Pw_forum] Problem with Matdyn.x

Hongze Xia hongze.x at gmail.com
Wed Jun 12 05:34:18 CEST 2013

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

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