[Pw_forum] local magnetic moment in non collinear calculations

[Mighfar Imam]

Dear Cyrille,
I think the value of this radius (in the units of alat)  is written in the
beginning of the output, as "new r_m", which, as the code says, is chosen 
to be a little smaller than half of the minimum distance between two atoms
of the system.

The PW/make_pointlists.f90 also says that it can be specified by the user
but i don't know where and how this info can be put in the input file!

Mighfar Imam,
JNCASR, Bangalore
India

> Dear all,
>
> I think I already asked this question once but do not remember the
> answer and could not find it in the archive..
>
> When doing non collinear calculations (noncolin=.true.) the magnetic
> moment on each atom is printed out in the output file.
> If I remember well this local magnetic moment is integrated over a
> sphere (and is different from the lowdin charge analysis of projwfc).
>
> I just would like to know the radius of this sphere in order to compare
> my results with the ones obtained from a FLAPW calculation which by
> construction also integrates charges over a sphere.
>
> By the way it would also be interesting to have this local charge within
> standard LSDA (collinear) calculations.
>
> thanks in advance
>
>   cyrille
>
>
>
> --
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> Cyrille Barreteau              | phone : +33 (0)1 69 08 29 51
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