Hello,
I would like to perform calculations of ferromagnetic iron surface but relaxing cell on one side only (I want to simulate bulk by freezing 2-3 bottom layers). I know that I should set LDIPOL = true and IDIPOL = 3, but what about magnetic moments? Could someone tell me how to simulate "bulk magnetic moments" in this frozen layers? When I did such calculations, magnetic moments on bottom atoms are the same as on the "surface" (top) atoms... I am sorry if the question is trivial but I did not find answer....
one side relaxation of magnetic system - magnetic moments
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t.ossowski
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one side relaxation of magnetic system - magnetic moments
Last edited by t.ossowski on Thu Sep 19, 2013 11:48 am, edited 1 time in total.
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support_vasp
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Re: one side relaxation of magnetic system - magnetic moments
Hi,
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