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["Javad hashemifar" <jhashemifar@gmail.com>]

Many thanks to Matthieu and zzzhong for your kind help. I am going to
test PAW ability of Abinit to see whether it could solve this problem.
Best regards
Javad Hashemifar

On 12/8/06, Matthieu Verstraete <mjv500@york.ac.uk> wrote:
> Ok, I see what you are looking at better now. It depends on what you want
> to study and quantify. The difference almost certainly comes from the
> pseudopotential approximation, and possibly could be lesser for other
> psps, e.g. PAW (I would definitely give this a try). Otherwise, if you
> need the splitting (which could be quite bad in DFT anyway without LDA+U
> or something), you'll have to stick to all electron. How much slower is
> wien2k?
>
> A final note, it looks like the up channel is shifted down in energy while
> the down is shifted up. This feels like a difference in Fermi level or
> broadening btw wien and abinit (especially as the down has 0 DOS at Ef, so
> it's chemical potential could be somewhat arbitrary, although the lowest
> states align nicely), or a difference in the way the spin-dep-GGA is
> implemented. Possible?
>
> Matthieu
>
> --
> ================================================================
> Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
> Dept. of Physics, University of York,     tel: +44 1904 43 22 08
> Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14


--
======================================
Seyed Javad  Hashemifar,    Ph.D.
[current:]
Tel:+49-203-3794743        Fax:+49-203-3794742
Fachbereich Physik (AG Kratzer), Universitat Duisburg-Essen
47048 Dusiburg, Germany
[permanent:]
Tel:  +98-311-3912375       Fax: +98-311-3912376
Physics Department, Isfahan University of Technology
84156 Isfahan, Iran
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