[Wannier] (no subject)

[Altaf Ur Rahman]

I am trying to compare the band structures generated by PWSCF and by
WANNIER functions. I get basically almost the same structures except that
the positions of the (Gamma, K, M) points that are different. My structure
is hexagonal.  I use the following positions:


K_POINTS crystal_b
4
gG 50
M 50
K 50
gG 1

The positions of Gamma, M, K Gamma are 0, 0.5774, 0.9107, 1.5773 whilst
setting the same path in Wannier win file I get other positions for the
same coordinates almost the double:
0, 1.12655, 1.77696, and 3.07778. Could anyone tell me what is happening?

Altaf Ur Rahman
PhD Student
Computational Condensed Matter Physics
Quaid-i-Azam University Islamabad, Pakistan
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