DFT+U+V is equivalent to DFT+U with density-dependent hybridized projectors

DOI

<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>

Identifier
DOI https://doi.org/10.24435/materialscloud:zb-sz
Related Identifier https://doi.org/10.48550/arXiv.2607.18071
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:yh-w1
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:8ag45-80d77
Provenance
Creator Linscott, Edward; Carta, Alberto; Marzari, Nicola
Publisher Materials Cloud
Contributor Linscott, Edward
Publication Year 2026
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format application/octet-stream; application/gzip
Discipline Materials Science and Engineering