[Wien] question for case.inst

Stefaan Cottenier stefaan.cottenier at fys.kuleuven.be
Fri Dec 14 10:33:42 CET 2007


> In the second line, "Kr 3 5", it is no problem to understand "Kr" and
> "3", which are well defined in the usersguide. But for the number "5",
> there is no any explanation in the usersguide. Would you please tell me
> its meaning?
>   
This number is there for historical reasons and is not used by wien2k 
(it's meaning was the XC functional for the atomic selfconsistency cycle).
> BTW: My wien2k version is WIEN2k_04.6.
>
>   
You make it yourself unnecessarily difficult. Consider an upgrade.

Stefaan


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