Spin-orbit coupling on/off switch

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Spin-orbit coupling on/off switch

Postby sequoia07 » Tue Nov 20, 2018 8:56 am

Dear VASP users,

I would like to consider spin-orbit coupling effect not for all atoms but for specific atoms in a unit cell.
Is it possible including SOC effect on only some atoms in unit cell? I want to turn on SOC for some atoms in a unit cell and turn off SOC effect for the other atoms.
If so, how can I do it?

Many thanks.
sequoia07
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