[Wien] band structure for clusters

[Rocquefelte]

Dear Souraya,

If you have a very small cluster, then you will have no periodicity. The 
k-space allows to describe the effect of the periodicity on the energy 
of the system and then its properties.
A small cluster is like a molecule. You will have no energy dispersion, 
only discrete levels.
If you now progressively increase the size of your cluster you will see 
more and more energy levels in your diagram (because you will have more 
atoms), and this will finally lead to a continuum of energy levels (band 
dispersion).
To conclude, the answer to your question is clearly dependent of the 
size of your cluster. But for very small cluster the answer is clearly 
yes, the band structure will be flat.

Best Regards

Xavier

Souraya GOUMRI-SAID a écrit :

>Dear User Wien2K,
>
>Is it true that the band structure should be flat for small cluster ?
>
>If yes, can you please give the arguments.
>
>Sincerely yours,
>
>
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-- 
Xavier Rocquefelte
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