[Pw_forum] from elphsum : error # 3
Malgorzata Wierzbowska
wierzbom at ts.infn.it
Wed Dec 13 20:03:22 CET 2006
On Wed, 13 Dec 2006, Amit Kumar wrote:
The error below shows up in elphon.f90 when the q-vectors
are NOT a SUBSET of the K_POINTS grid which is defined in
the scf run with la2F = .true.
Gosia
> Respected Users,
>
>
> I'm getting the following error during the electron phonon calculation.
>
> electron-phonon interaction ...
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> from elphsum : error # 3
> q is not a vector in the dense grid
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> stopping ...
>
>
> Could anyone tell me what might be the possible reason of this error???
>
> Should I use 16x16x16 MP grid for q points instead of 4x4x4 grids to
> get rid of the above error????
>
> Regards,
> Amit
>
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