[Wien] Need assistance

[Luis Ogando]

Hi Mohammed,

   You may also try  http://www.nextnano.com/index.php

   Personally, I have no experience with it !
   Regards,
                  Luis



2013/5/16 Lawal Mohammed <mohammedlawal08 at yahoo.com>

> Hello Michael and Co,
> Can you please suggest any periodic code for quantum confinement effect?
> And how can confinement and surface effects be neglected, in such case
> what will be implication. please elaborate.
> With kind regards
> Mohammed
>   ------------------------------
>  *From:* Michael Sluydts <Michael.Sluydts at UGent.be>
>
> *To:* A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> *Sent:* Wednesday, May 15, 2013 3:49 PM
>
> *Subject:* Re: [Wien] Need assistance
>
>  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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