[Wien] case.inst file -- Europium

[Anurag Chaudhry]

Hello Everyone,

I am trying to do a calculation for SrI2 doped with Europium.  I see that the case.inst file has the following information for Europium

Eu
Xe 4
4, 3,3.0  N
4, 3,0.0  N
4,-4,3.0  N
4,-4,0.0  N
5, 2,1.0  N
5, 2,0.0  N
6,-1,1.0  N
6,-1,1.0  N

From the periodic table I see that Eu has an electronic configuration of [Xe]4f76s2  so I do not understand why do see the 5d orbitals having a single electron whereas there are only 6 electrons in the 4f.  can someone please explain ?

thanks,
Anurag


      
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