[QE-users] Run time error

[Lorenzo Monacelli]

For example in line 19:

  -7.61366009-13.18724611    3.04861427  5.28035480 -7.61366009-13.18724611

The space between the real and imaginary part of the last complex number 
is so small that they merge together (and FORTRAN complains).

Maybe simply adding a white space there (and in all the multiple places 
it happens) can solve the issue.
How did you generate dynamical matrices? If they were done with ph.x, 
then maybe this is a bug that should be fixed (and it should be super 
easy).

It is also true that, looking at the negative imaginary modes you are 
obtaining, probably something wrong happened, like a very under 
converged choice of the pw.x parameters, a wrong cell or atomic 
positions, etc...

Bests,

Lorenzo

On 27/05/20 08:32, Pooja Vyas wrote:
> Dear users,
> Attached file is 6.1141.dyn3. But couldn't find any error.
>
> On Wed, May 27, 2020 at 11:56 AM Paolo Giannozzi 
> <p.giannozzi at gmail.com <mailto:p.giannozzi at gmail.com>> wrote:
>
>     On Wed, May 27, 2020 at 7:19 AM Pooja Vyas <poojavyas595 at gmail.com
>     <mailto:poojavyas595 at gmail.com>> wrote:
>
>         At line 273 of file io_dyn_mat_old.f90 (unit = 1, file =
>         '6.1141.dyn3') Fortran runtime error: Bad real number in item
>         3 of list input
>
>     look into file 6.1141.dyn3: likely you will notice something
>     anomalous. The error message also tells you where the "bad real
>     number" is read
>
>     Paolo
>     -- 
>     Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>     Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>     Phone +39-0432-558216, fax +39-0432-558222
>
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