[Wien] Magnetic Moment of Nonmagnetic Atom

[Konstantin Nefedev]

Dear Stefaan,

How is possible that for nonmagnetic single isolated atom of Carbon I have

MAGNETIC MOMENTS OF MIXED CHARGE DENSITY
:**MMINT: MAGNETIC MOMENT IN INTERSTITIAL =    0.56850
**:*MMI001: MAGNETIC MOMENT IN SPHERE   1    =    0.95199
*:*MMTOT: TOTAL MAGNETIC MOMENT IN CELL   =    1.52049
*
???

>That means the -1.96 Ry is the 2s, and -0.218 is the 2p. From your
>output, it can be seen you did a  non-spin-polarized calculation (which
>is wrong!), then both eigenvalues are doubly occupied, and you do have
>indeed 2s^2 2p^2, with the 2p eigenvalue equal to the Fermi energy.

>The FAQ clearly mentions that free atom calculations should be done
>spin-polarized (you will see this will lower the energy compared to your
>non-spin-polarized :ENE).

>Stefaan

I have used for nonmagnetic isolated atom of C the spin polarized
calculations (in agreement with your recommendations and  FAQ) ,
and of course now I have magnetic moment of the nonmagnetic atom!!!