High-throughput superconducting Tc through density of states rescaling

Dataset for manuscript: "High-throughput superconducting Tc through density of states rescaling"First principles computational methods can predict the superconducting critical temperature Tcof conventional superconductors through the electron-phonon spectral function. Full convergenceof this quantity requires Brillouin zone integration on very dense grids, presenting a bottleneck tohigh-throughput screening for high Tc systems. In this work, we show that an electron-phononspectral function calculated at low cost on a coarse grid yields accurate Tc predictions, provided thefunction is rescaled to correct for the inaccurate value of the density of states at the Fermi energy oncoarser grids. Compared to standard approaches, the method converges rapidly and improves theaccuracy of predictions for systems with sharp features in the density of states. This approach canbe directly integrated into existing materials screening workflows, enabling the rapid identificationof promising candidates that might otherwise be overlooked.