On Wed, May 27, 2020 at 8:47 AM Pooja Vyas wrote:
Can just removing the spaces solve the issue?
>
removing, no. Adding a space where it is needed, yes. More exactly: it will
solve the problem of the "bad read". I don't know whether such a large
imaginary term is a sign of some other problem,
Respected sir,
My equilibrium lattice parameter is 9.1334 a.u. But I want to compute
phonons on compressing and relaxing the structure, hence the above
calculation is done at 6.1141 a.u. This could be the reason for the
imaginary modes that you are talking about.
Can just removing the spaces solve
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
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
wrote:
> On Wed, May 27, 2020 at 7:19 AM Pooja Vyas wrote:
>
>> At line 273 of file io_dyn_mat_old.f90 (unit = 1, file = '6.1141.dyn3')
>> Fortran runtime error: Bad real
On Wed, May 27, 2020 at 7:19 AM Pooja Vyas 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
