When drawing the band structure, I need to transform the coordinate of k-points into a k-path, but I am not sure what the formula is.
I checked the result of siesta, Here is the coordinates of some k-points
siesta: Band k vectors (Bohr**-1):
ik k
1 -0.158058 -0.000000 0....
I am trying to calculate the longitudinal (v_long) and transverse (v_trans) wave velocities of a system.
The formulas used for the are as:
V_long = root[(K + G*(4/3))/d],
V_trans = root(G/d)
where d is the density of the material.
The volume of the system is 296.70 Ang^3 OR 2002.22642013544 Bohr...
When drawing the band structure, I need to transform the coordinate of k-points into a k-path, but I am not sure what the formula is.
I checked the result of siesta, Here is the coordinates of some k-points
siesta: Band k vectors (Bohr**-1):
ik k
1 -0.158058 -0.000000 0....
