[Wannier] choice of kslice vectors in the BZ in example-18 of wannier90

Bhargab Kakati bhrgabkakati at iasst.res.in
Tue Oct 17 09:21:30 CEST 2023


Dear all,

I am trying to understand why the example-18 of wannier90 chose the 
kslice vectors as kclice_b1 = 0.5 -0.5 -0.5 and ksclice_b2 = 0.5 0.5 0.5 
for Ky=0 plane (010 plane). From my understanding, the Ky=0 plane should 
be defined by the vectors kclice_b1 = -0.5 0.5 0.5 and ksclice_b2 = 0.5 
0.5 -0.5. Please help me understand this and correct me if I'm wrong.

Thank you.


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