[Wien] Ls - HS

[bothina hamad]

Daer Wien users,
                I'm trying to calculate the possible low-spin and high-spin states of La0.75Sr0.25CoO3 compound. In order to define the Low spin , I modified the case.inst file so the up and down spin of Co d-orbitals are equal, also for the case of high spin I put the maximum number of unpaired electrons.
See the files below:
Low spin
----------
Co
Ar 3  
3, 2,2.0  N
3, 2,2.0  N
3,-3,1.5  N
3,-3,1.5  N
4,-1,1.0  N
4,-1,1.0  N


High Spin
----------------
Co
Ar 3  
3, 2,2.0  N
3, 2,2.0  N
3,-3,3.0  N
3,-3,0.0  N
4,-1,1.0  N
4,-1,1.0  N



But In both cases I got a moment of 3.14 mb on the Co atom.

So what do you think is wrong, here?

Thanks in advance
Bothina