[Wannier] Tight binding (TB) model with n nearest neighbours

[Young-Su Lee]

Dear Elie,

 

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.

You may want to use bands_plot_dim=2 and one_dim_axis=(direction orthogonal
to your graphene plane) for your graphene calculation.

 

Hope this helps.

 

Young-Su

 

 

From: wannier-bounces at quantum-espresso.org
[mailto:wannier-bounces at quantum-espresso.org] On Behalf Of Elie Moujaes
Sent: Friday, March 19, 2010 2:28 AM
To: wannier at quantum-espresso.org
Subject: [Wannier] Tight binding (TB) model with n nearest neighbours

 

Dear all,
 
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. 
 
 
Regards
 
 
Elie Moujaes
University of Nottingham
NG7 2RD
Nottingham
UK

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