[Wien] Number of band

[Stefaan Cottenier]

>   Now  I  calculate  FeNi  ternary  orderd  alloy  on  spin-polarized
>  with
>   spin-orbit interaction.
>   I want to calculate total energy of FeNi accurately as possible as
> I can.
>   So  I have a question how to determine number of band which are
> considerd
>   in Kohn-Sham SCF calculation.
>   I think that Emax determine number of band.
>   How can I choose appropriate value of Emax?

Consider a relevant physical property (e.g. energy difference between
two typical cases), calculate it for several values of Emax, and see
where it converges to a unique value.

Stefaan