[Pw_forum] calculation for antiferromagnetic MnO

[Matteo Cococcioni]

Dear Mohnish

I would recommend you to figure this out yourself first.
Then, if you want to verify your results you can go on
quantum-espresso.organd look for the tutorials
for the school held in Santa Barbara in 2009. you will find an example about
NiO (and maybe FeO, I don't remember)
that are materials with the same structure and AF order of MnO.

Matteo


On Fri, Jul 30, 2010 at 1:59 AM, mohnish pandey <mohnish.iitk at gmail.com>wrote:

> Dear users,
>                   I want to do calculation for MnO antiferromagnetic
> system. I want to know how to start the calculation for this
> antiferromagnetic system, i.e. should the magnetization be conserved to be
> in antiferromagnetic state? And how to build the cell for this rocksalt
> structure so that structure is antiferromagnetic.
>
> --
> Regards,
> MOHNISH,
> -----------------------------------------------------------------
> Mohnish Pandey
> Y6927262,5th Year dual degree student,
> Department of Chemical Engineering,
> IIT KANPUR, UP, INDIA
> +919235721300
> -----------------------------------------------------------------
>
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