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

Dataset

Description

Tarballs containing raw input and output files for the CASINO (https://vallico.net/casinoqmc/) and CASTEP (http://www.castep.org/) codes.
Date made available05/2022
PublisherLancaster University

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Projects

Facilities/Equipment

  • High End Computing cluster (HEC)

    Facility/Equipment: Facility

Research outputs