Research data for "Point defect formation energies in graphene from diffusion quantum Monte Carlo and density functional theory"

Bulk_silicon.tar.bz2
17.7 MB, application/x-bzip2
Dataset
Available under license: CC BY
Date added: 20/05/22
Silicene_atomisation.tar.bz2
33 MB, application/x-bzip2
Dataset
Available under license: CC BY
Date added: 20/05/22
SiS_point_defect_in_graphene.tar.bz2
126 MB, application/x-bzip2
Dataset
Available under license: CC BY
Date added: 20/05/22
SW_point_defect_in_graphene.tar.bz2
234 MB, application/x-bzip2
Dataset
Available under license: CC BY
Date added: 20/05/22
Graphene.tar.bz2
573 MB, application/x-bzip2
Dataset
Available under license: CC BY
Date added: 24/06/22

Dataset

Tarballs containing raw input and output files for the CASINO (https://vallico.net/casinoqmc/) and CASTEP (http://www.castep.org/) codes.

Date made available	05/2022
Publisher	Lancaster University

Research