[Wien] optical property

M.Y.Wu M.Y.Wu at tnw.tudelft.nl
Thu May 13 18:02:40 CEST 2004


Dear Prof. Blaha,

Here is part of the results for -orb
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =    3.12801
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =    3.11590
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =    3.13454
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =    2.74419
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -0.09526
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =    0.08943
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -0.02386
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -0.01893
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -0.00333
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -0.40440
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -1.00919
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -2.23564
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -3.17497
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -2.72041
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -2.83234
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -2.83168
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -1.24312
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -0.21901
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -0.62353
:MMI002: MAGNETIC MOMENT IN SPHERE   2    =   -0.77894

Is there something wrong here? Why is it unexpected? Sorry for my little 
talent.

I tried no spin-polarized, spin-polarized and anti ferromagnetic state 
without -so and -orb, all of them gave metallic state.

Best regards,
Mengyue





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