[Wien] magnetic moment with SOC calculation

[Wien2k User]

Dear Prof. F. Tran
Thank you very much
if I understand correctly, for a given atom, is the total magnetic moment
the sum?  MMI+ORB

Le sam. 4 mai 2019 à 18:19, <tran at theochem.tuwien.ac.at> a écrit :

> Yes the moment can change. In particular, with SOC the
> orbital component may be non-zero.
> Inside the atomic spheres, the spin component is :MMI
> and the orbital component is :ORB
>
>
> On Saturday 2019-05-04 17:53, Wien2k User wrote:
>
> >Date: Sat, 4 May 2019 17:53:33
> >From: Wien2k User <wien2k.user at gmail.com>
> >Reply-To: A Mailing list for WIEN2k users <
> wien at zeus.theochem.tuwien.ac.at>
> >To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> >Subject: [Wien] magnetic moment with SOC calculation
> >
> >Dear wien2k users;
> >I have doing an LDA+U calculation and i have added spin-orbit coupling
> calculation. does the magnetic moment change between LDA+U and LDA+U+SOC?
> if it's yes,
> >where can I find its value?
> >
> >Thank you
> >
> >
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