[Wien] kinetic energy in WIEN2k

[tran at theochem.tuwien.ac.at]

Yes, but not by default. In the 1st line of case.in0 you have to
replace TOT by KXC. Then, in case.scf the kinetic energy corresponds to
the keyword :EKIN. Be aware that the value is wrong when LDA+U is used.

F. Tran

On Tue, 9 Jul 2013, Yundi Quan wrote:

> Does WIEN2k_12 write kinetic energy term in case.scf file?
> 
> 
> 
> 
> Yundi
>