A collection of utilities for aggregating relevant data from ONETEP calculations in order to perform the linear-response method for calculating the Hubbard U parameter as prescribed in [1]. Created as part of a research internship for the Hamilton Trust programme at Trinity College, Dublin.
[1] Moynihan, Glenn, Gilberto Teobaldi, and David D. O’Regan. “A self-consistent ground-state formulation of the first-principles Hubbard U parameter validated on one-electron self-interaction error.” arXiv preprint arXiv:1704.08076 (2017).