[Wien] magnetic moment with SOC calculation

[tran at theochem.tuwien.ac.at]

yes

On Saturday 2019-05-04 18:30, Wien2k User wrote:

>Date: Sat, 4 May 2019 18:30:59
>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: Re: [Wien] magnetic moment with SOC calculation
>
>Dear Prof. F. Tran
>Thank you very muchif 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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>