[Wien] kinetic energy in WIEN2k

[Yundi Quan]

Thanks.

Yundi

On Tue, Jul 9, 2013 at 11:22 AM, Yundi Quan <yquan at ucdavis.edu> wrote:

>
>
> ---------- Forwarded message ----------
> From: <tran at theochem.tuwien.ac.at>
> Date: Tue, Jul 9, 2013 at 11:19 AM
> Subject: Re: [Wien] kinetic energy in WIEN2k
> To: A Mailing list for WIEN2k users <wien at zeus.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
> >
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