Research data for "Structures of bulk hexagonal post-transition-metal chalcogenides from dispersion-corrected density-functional theory" - Research Portal | Lancaster University

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Electronic data

VASP_calculations.tar.bz2
10.1 KB, application/x-bzip2
Dataset
Available under license: CC BY
Date added: 26/03/21
CASTEP_calculations.tar.bz2
56.1 MB, application/x-bzip2
Dataset
Available under license: CC BY
Date added: 26/03/21

DOI

https://doi.org/10.17635/lancaster/researchdata/433

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Research data for "Structures of bulk hexagonal post-transition-metal chalcogenides from dispersion-corrected density-functional theory"

Dataset

Samuel Magorrian (Creator)
Viktor Zolyomi (Creator)
Neil Drummond (Creator)

Physics

Description

Tarballs containing (i) CASTEP and (ii) VASP raw input and output files for bulk post-transition-metal chalcogenides.

Date made available	26/03/2021
Publisher	Lancaster University

Contact person

rdm@lancaster.ac.uk

Relations

Facilities/Equipment

High End Computing cluster (HEC)
Facility/Equipment: Facility

Research outputs

Structures of bulk hexagonal post transition metal chalcogenides from dispersion-corrected density functional theory
Research output: Contribution to Journal/Magazine › Journal article › peer-review