[Wien] partial elnes calculation
Peter Blaha
pblaha at theochem.tuwien.ac.at
Sun Jan 18 09:47:32 CET 2009
In xpsec you can easily get the different contributions.
bruce bruce.tian schrieb:
> Dear all:
>
> Is it possible for Wien2k to calculate the partial contribution of
> electrons to the elnes separately, such as 2p to 3d, 2p to 4s? how to do
> it? thanks
>
> best regards
>
>
>
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