[Wien] Wien Digest, Vol 147, Issue 4
Sherif Yehia
wien542002 at yahoo.com
Sat Feb 24 19:29:34 CET 2018
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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