[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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