k- resolved conduction band contour plot

[ramkrishna]

Hi,
I was trying to find k- resolved conduction band contour plot of a III-V material (L-G-X briollouin zone) by using the the scripts in http://quantumwise.com/forum/index.php?topic=2157.msg10520#msg10520 . Now, in the kx-ky plot I can easily get the G-X direction (in-plane) but not able modify the scripts properly for G-L direction (along [111]). It will be helpful if you let me know what modifications should I  need to get the G-L direction.

Thanks
Ramkrishna

[zh]

L point: (0.5, 0.5, 0.5)
M point: (-0.5, 0.5, 0)
G point: (0., 0.0, 0.0)

vector 1: G-->M
vector 2: G-->L
The two vectors can form a rectangle. You sample a dense k-grid on this rectangle and then do the band structure calculations.
 
You have to define the other direction that is perpendicular to [111].  And then change  the setup in the following lines.
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kx = numpy.linspace(0,-0.5,Nk)
ky  = numpy.linspace(0.0,0.5,Nk)
kz=numpy.linspace(0.0, 0.5,Nk)
kpoints = []
for i in range(Nk):
    for j in range(Nk):
                  kpoints.append([kx,ky, kz[j]])
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