[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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