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
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chlee
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Spin-orbit coupling
Last edited by chlee on Tue Dec 30, 2008 10:48 pm, edited 1 time in total.
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admin
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Spin-orbit coupling
it is possible to selectively turn off SOC for certain atoms, but it cannot be simply done on the input level (INCAR).
Last edited by admin on Thu Jan 08, 2009 2:51 pm, edited 1 time in total.