Inelastic transmission

[ams_nanolab]

In the tutorial

http://quantumwise.com/publications/tutorials/item/837-inelastic-transmission

in the script for inelastic transmission spectra you have

# Define energies; take only Fermi energy.
energies = [0.0]*eV
# Define q-points; take only points in first quadrant in (qx,qy) space
numQx = 7
numQy = 7
dQx = 0.5
dQy = 0.5
qx = numpy.linspace(0,dQx,numQx)
qy = numpy.linspace(0,dQy,numQy)
q_points = []
for x in qx:
    for y in qy:
        q_points.append([float(x),float(y),0.0])
# Define k-points; take only k=(0,0)
k_points = [[0.0,0.0,0.0]]

What prompts the particular choice of numQx = 7, numQy = 7 and k_points = [[0.0,0.0,0.0]]. How will it vary for other materials?

[ams_nanolab]

Please reply 

[Jess Wellendorff]

A thorough explanation for the choice of k-point is given in the tutorial. The 7x7 q-grid is simply chosen as a) un-even and b) sufficiently dense but not overly so.

[ams_nanolab]

In ATK 2015.1 most of these scripts in the tutorial are available in the GUI as analysis blocks. Would be nice if the tutorial could be updated, also a more general case of device (not just Si p-n junction) would be helpful to most users.

[Jess Wellendorff]

I totally agree. We are currently moving the tutorials to a new website (docs.quantumwise.com), and updating them with the new GUI options is part of this process.