[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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