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Spin-orbit coupling

Posted: Tue Dec 30, 2008 10:48 pm
by chlee
Dear Vasp users.

I have a question.
I am tring to calculate including SOC effect for magnetic compounds. Is is possible including SOC effect on only some atom in unit cell? It means that i want to turn off SOC effect for some of atoms in considered all atoms.
If so, please tell me how to do it?

Thansks

Spin-orbit coupling

Posted: Thu Jan 08, 2009 2:51 pm
by admin
it is possible to selectively turn off SOC for certain atoms, but it cannot be simply done on the input level (INCAR).