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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

I suppose that those  are not clever ideas yet (PS: I won't bother you
anymore after this one)...
1) have you set bdberry to the number of valence band ? With some luck
the message in initberry is not prefectly accurate and your
calculation will keeps on going ?
2) What would happen if you perform your self consistent calculation
with few bands and then add the empty one for the not self consistent
scanning of the k-points (after removal of  any ref. to berry) ? Since
the potential and the density are not suppose to change there, I guess
that it may possibly give some results ?

On 7/29/06, Claudio Attaccalite <claudio.attaccalite@gmail.com> wrote:
> Yes unfortunately how is written in the abinit input variable list
>
> "In case berryopt=4, a finite electric field calculation is performed."
>
>
>
> On 7/29/06, Anglade Pierre-Matthieu <anglade@gmail.com > wrote:
> > And I suppose that your system can't be handled without doing a berry
> > phase calculation ? right ?
> >
> >
> > --
> > Pierre-Matthieu Anglade
> >
>
>
>
> --
> ==========================================================
> Claudio Attaccalite
>
> Institute for Electronics, Microelectronics, and Nanotechnology
> Dept. ISEN
> B.P. 60069
> 59652 Villeneuve d'Ascq Cedex France
> Skype: claudioattaccalite
> web site: www.attaccalite.altervista.org
> ===========================================================
>
> Freely download scientific books from: www.freescience.info


--
Pierre-Matthieu Anglade