[Pw_forum] Problem with dynamical matrix file.
MATEUS JOSÉ FERNANDES MARTINS
mjfmartins at ice.ufjf.br
Sat Mar 7 03:57:22 CET 2009
I suspected that.
But I did a test a system with less variable nat_todo enabled. Really, he
does not write the frequencies in the output of ph.x, but the output of the
frequency dynmat.x writes.
Only for this calculation that the error is appearing.
2009/3/7 Paolo Giannozzi <giannozz at democritos.it>
> On Mar 6, 2009, at 16:59 , MATEUS JOSÉ FERNANDES MARTINS wrote:
> > I run a phonon calculation with the nat_todo variable enable. The
> > problem
> > is that when I run the application dynmat.x the following error
> > appears
> > [...]
> > from readmat : error # 1
> > mismatch in reading file
> I am not sure that the dynmat.x utility is supposed to work in that case
> (i.e. when the nat_todo variable is enabled)
> Paolo Giannozzi, Democritos and University of Udine, Italy
> Pw_forum mailing list
> Pw_forum at pwscf.org
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