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<p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Malgun Gothic";
color:#1F497D'>Dear Elie,<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Malgun Gothic";
color:#1F497D'><o:p> </o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Malgun Gothic";
color:#1F497D'>Use bands_plot_mode=cut instead of the default Slater-Koster
interpolation and specify dist_cutoff according to the neighbors you’d
like to include.<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Malgun Gothic";
color:#1F497D'>You may want to use bands_plot_dim=2 and one_dim_axis=(direction
orthogonal to your graphene plane) for your graphene calculation.<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Malgun Gothic";
color:#1F497D'><o:p> </o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Malgun Gothic";
color:#1F497D'>Hope this helps.<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Malgun Gothic";
color:#1F497D'><o:p> </o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Malgun Gothic";
color:#1F497D'>Young-Su<o:p></o:p></span></p>
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color:#1F497D'><o:p> </o:p></span></p>
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<p class=MsoNormal><b><span lang=EN-US style='font-size:10.0pt;font-family:
"Tahoma","sans-serif"'>From:</span></b><span lang=EN-US style='font-size:10.0pt;
font-family:"Tahoma","sans-serif"'> wannier-bounces@quantum-espresso.org
[mailto:wannier-bounces@quantum-espresso.org] <b>On Behalf Of </b>Elie Moujaes<br>
<b>Sent:</b> Friday, March 19, 2010 2:28 AM<br>
<b>To:</b> wannier@quantum-espresso.org<br>
<b>Subject:</b> [Wannier] Tight binding (TB) model with n nearest neighbours<o:p></o:p></span></p>
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<p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p>
<p class=MsoNormal style='margin-bottom:12.0pt'><span lang=EN-US
style='font-size:10.0pt;font-family:"Verdana","sans-serif"'>Dear all,<br>
<br>
I am calculating the band structure of graphene using a tight binding model. I
am using the Wannier90 package for that purpose. I was wondering if there is a
way to calculate the TB model up to the nth nearest neighbours. <br>
<br>
<br>
Regards<br>
<br>
<br>
Elie Moujaes<br>
University of Nottingham<br>
NG7 2RD<br>
Nottingham<br>
UK<o:p></o:p></span></p>
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