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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,
Setting the number of bands is usualy very easy.
Basically you need one band per "independent" electrons plus a few empty 
bands.
If your system is insulating you can use a very small amount of empty
bands. For metals with d electron you usualy need many more.
Basically for most system you can use
nband = nelectron / 2 + nion / 2 + 2
or for spin polarized computations
nband = nelectron + nion + 2
If during calculations you see that you don't have enough bands you
can increase nband.
If you see that you have too much of them you can decrease nband.
Just try.

regards,
PMA

On 4/15/07, Hongyi Zhao <hongyi.zhao@gmail.com> wrote:
> Dear all,
>
> I'm bewilder by the setting of the *nband*, I mean, when I
> perform a specific computation for my model, how can I know the number
> I used for *nband* is suitable for my computation?
>
> Thanks in advance.
>
> ---
> Hongyi Zhao
> GnuPG DSA: 0xD108493B


--
Pierre-Matthieu Anglade