[Wien] Need assistance

[Luis Ogando]

Hi Mohammed,

   Just complementing Michael's answer, in some cases, the quantum dot is
so "big" that confinement and surface effects can be neglected. If this is
your case, I believe that WIEN2k may be safely used.
   All the best,
                    Luis



2013/5/15 Michael Sluydts <Michael.Sluydts at ugent.be>

>  Hello Mohammad,
>
> It all depends what you want to do. Wien2k is optimal for calculating
> properties of periodic structures, so it is mostly recommended for bulk.
>
> For confinement effects aperiodic code is recommended. However it is
> unlikely you will ever be able to calculate optical properties of anything
> larger than a small cluster aperiodically (extrapolation is of course a
> useful tool).
>
> I myself do use periodic DFT to estimate surface adsorption on colloidal
> quantum dots, so you'll have to pick the right tool for whatever you are
> interested in.
>
>
> Regards,
>
> Michael Sluydts
>
>
> Op 15/05/2013 9:37, Lawal Mohammed schreef:
>
>  Dear Wien2k Community,
> I am a new user of Wien2k code. I want to know if it is possible to do
> simulation study of quantum dots using Wien2k. Actually, I am about to
> start a research on quantum dots based materials for intermediate band
> solar cells. Therefore, I really need to know the potential of Wien2k
> package. Could you please help me?
> With kind regards
> Mohammed Lawal
>
>
>
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