dear pwscf users,
i found in some papers, they always say "To examine the stability of the
local magnetic state, we calculate the energy difference between the
diamagnetic(DM) antiferromagnetic (AFM) and ferromagnetic(FM) states."
i know that in the case of FM, I need to do only spin-polarized calculation
with start magntic moment, while for AF, I should define 2 different atoms
having equal but opposite sign magnetic moments. is this right?
but i really donot know how to set up a cell for the diamagnetic material,
and how to set the start magnetic moment?
thank you!
best regards!
graduate student: chen
xiaguanying university
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