band-alignment

Post-processing and sanity checks for VASP, written as tutorials: vacuum-referenced band alignment, LOCPOT profiles, run diagnostics, selective dynamics, whole-molecule slabs, hybrid-SCF rescue.

Web-based UPS/LEIPS spectroscopy analyzer for VBM, secondary electron cutoff, ionization potential, electron affinity, and electronic band diagram analysis.

Interactive 1D semiconductor band alignment simulator using self-consistent Poisson-Boltzmann calculations for multilayer heterojunctions and metal contacts.