Ab initio X-ray Near-Edge Spectroscopy of Sodium-Based Multi-Alkali Antimonides

Data files for the equivalently-named paper. Inside data.zip lies directories of the form XNaK2Sb_M_Y_Z, XNa2KSb_M_Y_Z; X = 'c' or 'h', meaning 'cubic' or 'hexagonal' respectively M = 'IP' or 'singlet', representing calculations done in the Independent Particle Approximation or with the full Bethe-Salpeter Equation Y is the species, either Na, K or Sb Z is the shell, either 'K', 'L2', 'L23' or 'L3' Inside each directory contains: The exciting 'input.xml' EVALCORE.OUT EFERMI.OUT EPSILON and EXCITON directories containing spectra and excitons respectively Also uploaded are the PDOS data files (inside PDOS.zip) for each of the four species.