<div dir="ltr">Hi Mohammed,<div><br></div><div style> You may also try <a href="http://www.nextnano.com/index.php">http://www.nextnano.com/index.php</a></div><div style><br></div><div style> Personally, I have no experience with it !</div>
<div style> Regards,</div><div style> Luis</div><div style><br></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">2013/5/16 Lawal Mohammed <span dir="ltr"><<a href="mailto:mohammedlawal08@yahoo.com" target="_blank">mohammedlawal08@yahoo.com</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="font-size:12pt;font-family:times new roman,new york,times,serif"><div><span>Hello Michael and Co,<br></span></div>
<div style="font-style:normal;font-size:16px;background-color:transparent;font-family:times new roman,new york,times,serif"><span>Can you please suggest any periodic code for quantum confinement effect? And </span>how can confinement and surface effects be neglected, in such case what will be implication. please elaborate.<br>
</div><div>With kind regards</div><div>Mohammed<br></div> <div style="font-family:times new roman,new york,times,serif;font-size:12pt"> <div style="font-family:times new roman,new york,times,serif;font-size:12pt"> <div dir="ltr">
<hr size="1"> <font face="Arial"> <b><span style="font-weight:bold">From:</span></b> Michael Sluydts <Michael.Sluydts@UGent.be><div class="im"><br> <b><span style="font-weight:bold">To:</span></b> A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank">wien@zeus.theochem.tuwien.ac.at</a>> <br>
</div><b><span style="font-weight:bold">Sent:</span></b> Wednesday, May 15, 2013 3:49 PM<div class="im"><br> <b><span style="font-weight:bold">Subject:</span></b> Re: [Wien] Need assistance<br> </div></font> </div><div><div class="h5">
<div><br><div>
<div>
<div>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 type="cite">
<div style="font-size:12pt;font-family:times new roman,new york,times,serif">
<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>
<fieldset></fieldset>
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