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<div class="moz-cite-prefix">Hello Mohammad,<br>
<br>
It all depends what you want to do. Wien2k is optimal for
calculating properties of periodic structures, so it is mostly
recommended for bulk.<br>
<br>
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).<br>
<br>
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.<br>
<br>
<br>
Regards,<br>
<br>
Michael Sluydts<br>
<br>
<br>
Op 15/05/2013 9:37, Lawal Mohammed schreef:<br>
</div>
<blockquote
cite="mid:1368603463.42817.YahooMailNeo@web125704.mail.ne1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:12pt">
<div>Dear Wien2k Community,</div>
<div>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?</div>
<div>With kind regards</div>
<div>Mohammed Lawal<br>
</div>
<div> <br>
</div>
</div>
<br>
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