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[matthieu verstraete <matthieu.jean.verstraete@gmail.com>]

In the words of the great Number 5: need input.
(and output too)

On Sun, Aug 9, 2009 at 8:14 PM, <vaskarpour@yahoo.com> wrote:
> Dear Abinit Users,
>
> Following the first lesson in the tutorial on GW, I've set up a triclinic 
> cell
> of eight HI molecules. The self-consistent ground-state calculation 
> (Dataset1)
> and calculation of kss file (Dataset2) seem to be OK and I get the kss file.
> However, I get the following error message in the calculation of screening
> (Dataset 3):
>
>  fermi : total number of electrons =    64
>
>  fermi : input and calculated number of electrons differ by  46.00000000
>
>  fermi : ERROR -
>  Found too large difference in the number of electrons
> -P-0000
> -P-0000  leave_new : decision taken to exit ...
>
> I'd appreciate any suggestion.
>
> Vahid
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72,   Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain        Fax  : +34-943018390

Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500