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<p><font face="Times New Roman">Maybe okay?<br>
</font></p>
<p><font face="Times New Roman">"Next to :GAP in the scf file there
is a warning: if you use a proper k-mesh. One always has to
check this :GAP value and compare it vs. a detailed
bandstructure plot, identifying the position of VBM and CBM. If
the scf k-mesh is course or does not contain Gamma (shifted
mesh), the quoted :GAP may be too large." [
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15445.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15445.html</a>
]</font><br>
</p>
<div class="moz-cite-prefix">On 8/8/2017 4:01 PM, fatima DFT wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAKwu9bAOo6JJiuEB4LTGVRtkOapN2vAr2nMv1a9=PH74svR+ng@mail.gmail.com">
<div dir="ltr">Dear List,
<div>I compiled the results of a complex structure with PBE+SO.</div>
<div><br>
</div>
<div>Results look okay to me what about I am worried is:</div>
<div>When I do grep :GAP *.scf on terminal then it shows band
gap ~1.01 eV. When I see at the plots then it shows band gap
~0.7eV at Gamma point.</div>
<div><br>
</div>
<div>Could you please tell me whats wrong here?</div>
<div><br>
</div>
<div>Regards</div>
<div>Fatima</div>
</div>
</blockquote>
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