Dear Users In calculating YFe2 I got this result for the moment as follows
SPIN MAGNETIC MOMENTS OF MIXED CHARGE DENSITY :MMINT: MAGNETIC MOMENT IN INTERSTITIAL = -0.98948 :MMI001: MAGNETIC MOMENT IN SPHERE 1 = -0.31749 :MMI002: MAGNETIC MOMENT IN SPHERE 2 = 2.11118 :MMTOT: SPIN MAGNETIC MOMENT IN CELL = 6.82028 Can I ask is the MMTOT per formula unit Thank you
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