Magnesium oxide surface calculations

Main Authors: Daniel Davies, Katarina
Format: info dataset Journal
Terbitan: , 2021
Subjects:
DFT
Online Access: https://zenodo.org/record/4534434
Daftar Isi:
  • Series of calculations on MgO slabs carried out with the VASP DFT code. Can be used as input data for the convergence tutorial of the surfaxe python package.