[Pw_forum] a question about magnetization

[mohsen modaresi]

Dear Paolo
Thanks for your answer
But I want a situation which atoms have different magnetization at the
final,
is there any suggestion?
Thanks

Mohsen Modaresi

On Sun, Nov 29, 2009 at 1:19 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Nov 29, 2009, at 9:39 , mohsen modaresi wrote:
>
> > 1) A and B have parallel magnetization direction
> > 2) A and C have anti parallel magnetization direction
> > could i inter this deference in calculation
>
> with an appropriate usage of "starting_magnetization"
> you should be able to select between a final state of
> type 1) or 2). Energy differences may turn out to be
> VERY small, though
>
> Paolo
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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