Dear All,

I am trying to do recreate the one dimensional energy bands [fig 1] in the 
paper "Quantum Spin Hall effect in Graphene" by C. L. Kane (Ref 1). For it I 
need to give kpoints path as 0 to pi/a to 2pi/a.

So is this format correct


KPOINTS {tpiba_b}

2

0.0    0.0    0.0   100

1.0    0.0    0.0   100


OR


KPOINTS {tpiba_b}

3

0.0    0.0    0.0   50

0.5    0.0    0.0   50

1.0    0.0    0.0   50

OR

I am completely wrong

as in tpiba_b the band structure is defined in units of 2pi/a, Please do help.



Regards,

Ghadiyali Mohammed Kader.


Ref1: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.95.226801

Quantum Spin Hall Effect in 
Graphene<https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.95.226801>
journals.aps.org
We study the effects of spin orbit interactions on the low energy electronic 
structure of a single plane of graphene. We find that in an experimentally 
accessible low temperature regime the symmetry allowed spin orbit potential 
converts graphene from an ideal two-dimensional semimetallic state to a quantum 
spin Hall insulator. This novel electronic state of matter is gapped in the 
bulk and supports the transport of spin and charge in gapless edge states that 
propagate at the sample boundaries. The edge states are nonchiral, but they are 
insensitive to disorder because their directionality is correlated with spin. 
The spin and charge conductances in these edge states are calculated and the 
effects of temperature, chemical potential, Rashba coupling, disorder, and 
symmetry breaking fields are discussed.


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