[Pw_forum] PH error: k-points are odd

[Konstantin Kudin]

 Andrea, thanks!

 Indeed, I was not aware of the need to run PW with 'phonon' before PH
for a general k point.

 I patched a little the PH code in the CVS such that if the desired k
point can be found on a regular k space grid, one can set the input for
the dispersion calculation with some mesh and then specify that just
one k point from the mesh is of interest. The significant advantage of
this option is that the need for the prior PW run with 'phonon'
disappears - thus the job script can be shorter :-)

 Kostya

--- Dal Corso Andrea <dalcorso at sissa.it> wrote:

> On Tue, 2007-08-28 at 19:11 -0700, Konstantin Kudin wrote:
> > All,
> > 
> > I am trying to get phonons at a non-Gamma point, but the code is
> > crashing with the message:
> >      from phq_readin : error #         1
> >      k-points are odd
> > 
> >  Could anyone check what is happening here?
> 
> Did you run a 'phonon' band calculation before ph.x?
> 
> 
> Andrea
> 
> 
> > 
> >  These are the input/output files:
> > https://kiev.princeton.edu/grapu2w.zip
> > 
> >  Thanks in advance!
> > 
> >  Kostya
> > 
> > 
> > 
> >        
> >
>
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> Andrea Dal Corso                    Tel. 0039-040-3787428
> SISSA, Via Beirut 2/4               Fax. 0039-040-3787528
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