[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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