DFT+U provides a convenient, cost-effective correction for the
self-interaction error (SIE) that arises when describing correlated electronic
states using conventional approximate density functional theory (DFT). The
success of a DFT+U(+J) calculation hinges on the accurate determination of its
Hubbard U and Hund's J parameters, and the linear response (LR) methodology has
proven to be computationally effective and accurate for calculating these
parameters. This study provides a high-throughput computational analysis of the
U and J values for transition metal d-electron states in a representative set
of over 2000 magnetic transition metal oxides (TMOs), providing a frame of
reference for researchers who use DFT+U to study transition metal oxides. In
order to perform this high-throughput study, an atomate workflow is developed
for calculating U and J values automatically on massively parallel
supercomputing architectures. To demonstrate an application of this workflow,
the spin-canting magnetic structure and unit cell parameters of the
multiferroic olivine LiNiPO4 are calculated using the computed Hubbard U and
Hund J values for Ni-d and O-p states, and are compared with experiment. Both
the Ni-d U and J corrections have a strong effect on the Ni-moment canting
angle. Additionally, including a O-p U value results in a significantly
improved agreement between the computed lattice parameters and experiment.Comment: 18 pages, 6 figure