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On 09/30/2010 08:47 PM, Mehmet Topsakal wrote:
<blockquote
cite="mid:AANLkTi=r3=xL7_z=WvSv-dfgpn=SE7B29QOEqU2aUMoR@mail.gmail.com"
type="cite">Dear Gabriele,
<div><br>
</div>
<div>Thank you very much for your suggestion. After including some
smearing, -5000 frequencies disappeared. But this </div>
<div>still cannot explain the 3X 3X 1 situation. </div>
</blockquote>
<br>
Why is this situation so special? BTW, I cannot find any result about
this case in your repository.<br>
<br>
<blockquote
cite="mid:AANLkTi=r3=xL7_z=WvSv-dfgpn=SE7B29QOEqU2aUMoR@mail.gmail.com"
type="cite">
<div>For this reason, I plotted the positions of scf KPOINTS (see the
attachments)</div>
<div>and realized that the corner of the Brillouin zone, which is
also known as K-special-point, is NOT included for KPOINTS</div>
<div>other than 3X 3X 1. For graphene, K-special-point also
corresponds to the Dirac-Point where zero-band-gap occurs.</div>
</blockquote>
<br>