[Pw_forum] problem in phonon DOS calculation of HCP structure

[Eduardo Ariel Menendez P]

Dear Paolo,

Thanks for your reply.
I can contribute two files of force constants: one for a 5x5x1 mesh, with
which matdyn.x works, and one for a Gamma only mesh for the same system,
for which matdyn.x produces the error.

I can also contribute the dynamical matrix files  generated by ph.x, from
which the force constants are generated using q2r.x

Running q2r.x and matdyn.x is inmediat[Be, you know better than me. Is it
enough? Can I sent you an  attachment with a tar file?

On the other hand, the calculation of the dynamical matrix
for the gamma point takes several days in a single CPU. I hope it is not
needed.

Best regards
Eduardo

Polite request:
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Eduardo A. Menendez Proupin
Department of Physics
Faculty of Science
University of Chile
Las Palmeras 3425
Ñuñoa, Santiago
Chile
Phone: 56+2+978 74 11
http://fisica.ciencias.uchile.cl/~emenendez/