[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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