2026-08-02T14:49:34Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:8ag45-80d77 2026-07-21T13:36:05Z community-mcarchive openaire_data

Linscott, Edward Linscott, Edward Carta, Alberto Marzari, Nicola 2026-07-21 <p>This archive contains the data supporting the manuscript of the same title. The calculations are for bulk antiferromagnetic (type-II) NiO in a four-atom rhombohedral cell, and comprise the Wannierization of the Kohn-Sham manifold, the linear-response calculation of the on-site (U) and inter-site (V) Hubbard parameters, DFT+U+V calculations, and the construction of the block-diagonalizing and hybridized projectors discussed in the manuscript.</p> application/octet-stream application/gzip https://doi.org/10.24435/materialscloud:zb-sz oai:materialscloud.org:8ag45-80d77 mcid:2026.138 eng Materials Cloud https://doi.org/10.48550/arXiv.2607.18071 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:yh-w1 info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode MARVEL/P4 Hubbard-corrected density-functional theory electronic structure DFT+U+V is equivalent to DFT+U with density-dependent hybridized projectors info:eu-repo/semantics/other