[Pw_forum] How to fix "occupations (j) wrong"
Stefano de Gironcoli
degironc at sissa.it
Wed May 21 22:13:13 CEST 2008
Dear Jiming An
> 7
> 4D 3 2 5.0 0.00 2.60 2.60 1.50
> 4D 3 2 0.0 0.00 2.6 2.6 1.50
> 4D 3 2 5.0 0.00 2.60 2.60 2.50
> 4D 3 2 0.0 0.00 2.6 2.6 2.50
> 5S 1 0 2.0 0.00 2.60 2.60 0.50
> 5P 2 1 2.0 0.00 2.60 2.60 0.50
> 5P 2 1 1.0 0.00 2.60 2.60 1.50
in the fully relativistic case the maximum occupation of a level is
determined by the value of J...
so J=1.5 implies max occupation =4.0 and J=2.5 implies max occ = 6.0
hope it helps,
stefano
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