[Pw_forum] a question about MnSe

[mohnish pandey]

Dear Michael!
                         Thanks a lot for your reply. Is there anyway to get
cubic AFM ground state??

On Thu, Jan 20, 2011 at 8:17 PM, Mike Mehl <Michael.Mehl at nrl.navy.mil>wrote:

> Sorry, I missed the AFM part.  In your case, then, the system is
> rhombohedral, and will relax away from the cubic structure, as your
> results showed.
>
> On 01/20/2011 01:08 AM, mohnish pandey wrote:
> > Dear Michael!
> >                           To get an AFM ground state we I think we
> > should have atleast two Mn atom. I did the calculation for Rocksalt
> > symmetry but it was also not giving proper results.
> >
>
>
> --
> Michael J. Mehl
> Head, Center for Computational Materials Science
> Naval Research Laboratory Code 6390
> Washington DC
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>



-- 
Regards,
MOHNISH,
-----------------------------------------------------------------
Mohnish Pandey
Y6927262,5th Year dual degree student,
Department of Chemical Engineering,
IIT KANPUR, UP, INDIA
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