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- From: Gilles Zerah <gilles.zerah@cea.fr>
- To: forum abinit <forum@abinit.org>
- Subject: forum
- Date: Tue, 03 Jun 2003 14:44:30 +0200
According to what I understand, you wish to find the gs wave function with a
given value of the net
total
magnetisation. ($\vec M$)
Naturally, this would have a non trivial effect only by including spin-orbit
coupling, which is
perfectly possible in the present version of the code.
To do this by brute force would be to impose a constraint of given magnetic
moment, which is not
too dissimilar to a (generalized) orthonormality constraint (the spin density
matrix should be given
a value.)
So, this might be feasible, but first let me know if this is what you want.
Gilles
(I had to resend this mail, because it was beginning by PHrom.....)
> Hello everyone,
>
> I'm trying to calculate Berry curvature and Chern number changing net
> magnetization.
> In this forum, there is explanation about Berry phase approach to
> polarization
> including derivatives of wavefunctions with respect to k or other variables.
>
> However, what I want to change is the direction of the net magnetic moment
> so
> that by calculating Berry curvature along the arbitary direction of the
> magnetic
> moment,which in general need not be the lowest energy direction, and
> averaging it,
> I want to calculate the Chern number.
>
> Any comment or help would be greatly appreciated.
>
> Hongki Min
- forum, Gilles Zerah, 06/03/2003
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