Clements, R J https://orcid.org/0000-0003-4403-1258
Womack, J C https://orcid.org/0000-0001-5497-4482
Skylaris, C-K https://orcid.org/0000-0003-0258-3433
Funding for this research was provided by:
EPSRC Centre for Doctoral Training in Next Generation Computational Modelling (EP/L015382/1)
UKCP consortium (EP/P022030/1)
Article Title: Electron localisation descriptors in ONETEP: a tool for interpreting localisation and bonding in large-scale DFT calculations
Journal Title: Electronic Structure
Article Type: paper
Copyright Information: © 2020 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2020-01-03
Date Accepted: 2020-04-24
Online publication date: 2020-06-24