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

Python Submitted 10 November 2022Published 03 February 2023
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Editor: @rkurchin (all papers)
Reviewers: @hongzhouye (all reviews), @ajgoyal (all reviews)

Authors

Alexander G. Squires (0000-0001-6967-3690), David O. Scanlon (0000-0001-9174-8601), Benjamin J. Morgan (0000-0002-3056-8233)

Citation

Squires et al., (2023). py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations. Journal of Open Source Software, 8(82), 4962, https://doi.org/10.21105/joss.04962

@article{Squires2023, doi = {10.21105/joss.04962}, url = {https://doi.org/10.21105/joss.04962}, year = {2023}, publisher = {The Open Journal}, volume = {8}, number = {82}, pages = {4962}, author = {Alexander G. Squires and David O. Scanlon and Benjamin J. Morgan}, title = {py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations}, journal = {Journal of Open Source Software} }
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materials modelling materials physics materials chemistry thermodynamics

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