[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
Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
More information about the Wien
mailing list