Only lapwdm gives you information about both, the spin and the orbital
moment of a magnetic spin-orbit calculation. Without lapwdm you will not
get any information about orbital moments or directions ...
Create case.indmc (you can use init_orb -orb or copy it from
SRC_templates).
x lapwdm -so -up
Am 22.05.2022 um 18:09 schrieb Ruoshi Jiang:
Thanks for the reply,
I know case.inso shows the vector of the magnetic moment, which is the
exact direction that the local coordinate of Sz point to.
What’s the local coordinate of S_xy plane? Do you have any information
of that? Is there any transformation matrix from the global to local spin?
Sorry, Sir. I can’t find the case.outputdm* file in my calculation.
Best,
Rossie.
*From: *Lyudmila Dobysheva via Wien <mailto:wien@zeus.theochem.tuwien.ac.at>
*Sent: *Sunday, May 22, 2022 11:57 PM
*To: *wien@zeus.theochem.tuwien.ac.at
<mailto:wien@zeus.theochem.tuwien.ac.at>
*Cc: *Lyudmila Dobysheva <mailto:lyuk...@mail.ru>
*Subject: *Re: [Wien] local coordinate of Spin
22.05.2022 19:53, Ruoshi Jiang wrote:
> When we calculate the spin-orbit coupling case, we choose the local Sz
> to be parallel to the direction of the chosen magnetization direction(in
> case.inso).
>
> But what about the Sx, and Sy direction? What is the local coordinate of
> the spin? It seems different with the local coordinate of the space.
You are to give in the inso the direction of magnetic moment, that is
vector (Sx, Sy, Sz)
Best wishes
Lyudmila Dobysheva
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