I'm trying to calculate energy of Fe[Co(CN)6] lattice where Fe and Co are coupled through antiferromagnetic coupling. However, I am not able to do it through the MAGMOM tag - as it forces to a FM solution, even when I initially start with an AFM coupling.
* I'hv tried with with and without U.
Anyone has any idea - how can I FORCE the VASP calculation into an AFM Fe-Co state?
Thanks,
Mukul
Antiferromagnetic Fe-Co coupling in Fe[Co(CN)6]
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mukul
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Antiferromagnetic Fe-Co coupling in Fe[Co(CN)6]
Last edited by mukul on Thu Aug 26, 2010 9:33 pm, edited 1 time in total.
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jlrch
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Antiferromagnetic Fe-Co coupling in Fe[Co(CN)6]
Last edited by jlrch on Wed Sep 01, 2010 12:22 am, edited 1 time in total.