[Wien] help required

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Tue Mar 20 13:03:58 CET 2012


> :DIS : CHARGE DISTANCE ( 0.0009012 for atom 43 spin 2) 0.0002113
>
> i can't understand it. it looks like also for individual atoms.

The number at the very right is the total value for the entire unit 
cell. The number between brackets is the one for the atom/spin that has 
the largest contribution (apart from a normalization).

Stefaan


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