Descriptors for Electron and Hole Charge Carriers in Metal Oxides: Calculations Dataset

Davies, Daniel W.; Savory, Christopher N.; Frost, Jarvist M.; Scanlon, David O.; Morgan, Benjamin M.; Walsh, Aron

experiment superconductors

Year

2020

Source Name

davies_descriptors_electron_calculations

Contacts

"Aron Walsh" <a.walsh@imperial.ac.uk>

Get the Data

Calculation dataset required in order to carry out the full analysis in This repository. Outputs from hybrid Density Functional Theory calculations using the Vienna Ab-initio Simulation Package (VASP) are provided. See the main repository for details on analysis steps. http://github.com/FaradayInstitution/charge_carriers_data