I want to introduce oxygen vacancy in a system and study the magnetic properties it may induce. In order to know the ground state of the system is FM or AFM, i need to set the initial magnetic coupling between two Vo to be FM or AFM coupling. But how?
I know how to set the MAGMOM for existing atoms, but how can I set those information to empty spheres? Could anyone help me out of this? Thanks a lot.
How to set magnetic coupling for empty sphere?
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aquleo
How to set magnetic coupling for empty sphere?
Last edited by aquleo on Thu Jun 04, 2009 4:18 am, edited 1 time in total.
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support_vasp
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Re: How to set magnetic coupling for empty sphere?
Hi,
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