This is a work in progress to calculate photocurrents for transition metal-ligand planar clusters shown in the figure below in a tight-binding framework. ARPES matrix elements are calculating using hydrogenic orbitals.
Details about this web application can be found here.
I have assumed a work function for Cu=4.46 eV
The process is:
(1) Click set parameters.
(2) Click calculate.
(3) Click plot bands to plot ARPES bands through specified cuts.
(5) Click plot DOS to plot DOS.
(6) Click plot contour to plot spectral function at fixed energy.
(7) Click ARPES datafile to download ARPES datafile.
This can be repeated as many times as you wish.
Things to be added:
point group symmetry