Editing Transmission Plot

[paullapham95]

Hello,
Is there a simple way for me to make T(E) the Y axis and E(eV) the X axis for Transmission spectra in Quantum ATK?
I have found plenty information in editing plots in Quantum ATK, however none seem to apply to transmission spectra plots.
Is there any way I can swap the X and Y values on the Transmission plots or do I have to extract the data and plot it myself?
Kind regards,

Paul

[Petr Khomyakov]

Unfortunately, you have to export transmission spectrum data in xy-format (right-click on the plot and then export data) and replot it. In fact, you can still do it in QuantumATK, writing a plotting script using pyplot, https://matplotlib.org/3.1.1/api/_as_gen/matplotlib.pyplot.html, or similar, and then submit it to the Job Manager or execute it from the command line: atkpython plotting_script.py.

[paullapham95]

Thank you 

[Anders Blom]

As Petr noted, you don't really need to go through the GUI for this. A very simple example script would be

Code

trans = nlread("file.hdf5", TransmissionSpectrum)[-1]
import pylab as P
e = trans.energies()
t = trans.evaluate(spin=Spin.Up)
P.plot(e,tr)
P.savefig("plot.png")

Then of course all the xlabel/ylabel and so on... :-)