Published May 16, 2023 | Version 2.0.0
Software Open

py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations

Authors/Creators

  • 1. Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK
  • 2. Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK.

Description

a Python package for calculating point defect concentrations in crystalline materials

Files

bjmorgan/py-sc-fermi-2.0.0.zip

Files (2.1 MB)

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md5:d094be0164db2f59a70e7d56bb161266
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Additional details

Related works

Is cited by
10.21105/joss.04962 (DOI)