<div dir="ltr"><div><div><div><div>Dear Halima, try with hybrid functionals like HSE. this work with QE.<br></div>Please provide your institutional affiliation<br></div>Best<br><br></div>PhD. Arles V. Gil Rebaza<br></div>IFLP - Argentina<br>
</div><div class="gmail_extra"><br><br><div class="gmail_quote">2013/10/11 Halima Zaari <span dir="ltr"><<a href="mailto:halimazaari@gmail.com" target="_blank">halimazaari@gmail.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr"><br><span lang="en">Deal QE Users<br><span>I tried to</span> <span>make a calculation of</span> <span>GaN</span> <span>on the espresso code,</span> <span>it gives me a</span> <span>gap</span> value  <span>of</span> <span>0.59</span> <span>eV</span> <span>while</span>  <span>Eg</span> <span>(Exp)=</span> <span>3.4</span> <span>eV</span> <span>is</span> <span>there</span> any <span> method</span> <span>to approximate</span> <span>to the</span> <span>experimental</span> one.?<span></span></span></div>

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