Units in the Nodes.dat file

[aguilerabonet]

Dear all,
I would like to understand the content and units of the Nodes.dat file. The content of the file is something like this:

# local minimal position and the related energy gap
#      kx          ky          kz         gap           E          k1          k2          k3
    0.219436   -0.045611   -0.000001    0.000000    0.056688    0.121432   -0.045363   -0.000003
   -0.219515   -0.045063   -0.000001    0.000000    0.056461   -0.121476   -0.044818   -0.000002
    0.220195   -0.038682   -0.000002    0.000000    0.051264    0.121852   -0.038472   -0.000003

Can someone tell me the difference between columns 1, 2, 3 and columns 6, 7, 8 and what are their units? (angstrom^{-1} or bohr^{-1}).
Thank you.
Irene

[ElAlderson]

Dear @aguilerabonet ,

The first 3 columns (kx, ky, kz) are Cartesian coordinates and hence the units are $Å^{-1}$ whereas columns 6, 7, 8 (k1, k2, k3) are fractional coordinates in units of the reciprocal lattice vectors ($\vec{b}_1$, $\vec{b}_2$, $\vec{b}_3$). The WT.out file can be checked for the reciprocal lattice vectors as calculated by WannierTools.

[aguilerabonet]

Thank you very much!