[Wien] A few basic questions about LAPWSO

[Shu Miao]

Dear Stefaan
We have confusions. I know it is necessary to use a large Emax. The one I
use is 4.0. The e-parameter I am asking is the trial energy El for RLO. Is
there a general rule to make estimation of this (like global e-parameter
in case.in1, 0.2 Ry around Fermi)? Does it have any relationship with the
exceptional E(l) with same l in case.in1?
Thanks

Shu Miao

On Tue, 12 Sep 2006, Stefaan Cottenier wrote:

>
> > 2.5 is far in unoccupied states. Do you mean
> > -2.5 and go to deeper? It seems work now.
>
> No, you really need those positive Emax values, in the unoccupied
> states. I think the procedure is explained in the 'Novak notes on
> spin-orbit', which is probably still available on the wien2k textbook
> pages.
>
> Stefaan
>
>
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