[Wien] seperation energy

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Wed Jun 21 10:35:17 CEST 2006


> 1)In my work I have to use -1.5 for seperation energy but this energy
> isn't identify for wien(I think) and get -6.0 for seperation energy 
> itself.

This value of -1.5 looks meaningless to me. Why do you *have to* use 
this value? Perhaps you want to put your Gd-4f in the core? There are 
other methods for that (see FAQ on open core method, but even better is 
to use LDA+U).

Stefaan


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