[Wien] magnetic moment with SOC calculation

[tran at theochem.tuwien.ac.at]

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
>
>