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[Josef Zwanziger <jzwanzig@gmail.com>]

I think you could just turn off the possibility of having magnetic
order, that is, set nspden=nsppol=1. Then you are forcing the system
to be diamagnetic.

Josef W. Zwanziger
Professor of Chemistry
Canada Research Chair in NMR Studies of Materials
Director, Nuclear Magnetic Resonance Research Resource (NMR-3)
Dalhousie University
Halifax, NS B3H 4J3 Canada
tel: +1 (902) 494-1960
fax: +1 (902) 494-1867
web: http://jwz.chem.dal.ca
jzwanzig@gmail.com, jzwanzig@dal.ca



2009/10/1 晨halo <ares.du@live.cn>:
>
> ________________________________
> dear abinit users,
>
>    i found in some papers, they always say "To examine the stability of the
> local magnetic state, we calculate the energy difference between the
> diamagnetic(DM) antiferromagnetic (AFM) and ferromagnetic(FM) states."
>  i know that in the case of FM, I need to do only spin-polarized calculation
> with start magntic moment, while for AF, I should define 2 different atoms
> having opposite spin by assigning + and - magnetic moments. is this right?
>   but i really donot know how to set up a cell for the diamagnetic material,
> and how to set the start magnetic moment?
> thank you!
>
> best regards!
>
>
>
>
>
> ________________________________
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