[Pw_forum] PH error: k-points are odd

[Paolo Giannozzi]

On Aug 29, 2007, at 23:42 , Konstantin Kudin wrote:

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

it is clearly stated in the documentation

>  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 :-)

the significant disadvantage is that option 'lnscf' does exacty what
you wanted in a much more straightforward way

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy