[Pw_forum] electron-phonon interaction ...

[Malgorzata Wierzbowska]

On Fri, 15 Dec 2006, Amit Kumar wrote:


   Dear Users,
   As for the answer to the question below and similar ones
   (e.g. when the error is followed by a message from the code)
   I can advice the first debugging/input_check step:

   -- goto the code and find sobroutine which gives the error
      or grep the error message in the source by making for instance
      grep -i "cannot remap grid on k-point list" ./*/*.f90 (or PH/*.f90)
   -- if you find that place, you may see "a hint"
---------------
   do n=1,nkh
      do nk=1,nkBZ
         if (eqBZ(nk) == n) go to 20
      end do
      !  this failure of the algorithm may indicate that the displaced grid
      !  (with k1,k2,k3.ne.0) does not have the full symmetry of the lattice
      call errore('lint','cannot remap grid on k-point list',n)
20   continue
   end do
-------------------------------
    -- You think what are "k1,k2,k3" in the code. You find that you should
       specify these numbers as zero in the input (otherwise there
       are problems with the symmetry... because somebody -- read Gosia
       in this case -- was lazy to solve it).
    -- You change your input, and if it still doesn't work.... you send us
       your input.

  If you solve your little problems on your own you will feel satifaction!
    Have fun,
    Gosia




>   Respected Users,
>
>   *How to cope with the following error*?
>
>   electron-phonon interaction  ...
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>    from lint : error #       148
>    cannot remap grid on k-point list
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>    stopping ...
> <pw_forum at pwscf.org>
>  Regards,
>  Amit
>