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

Alexander G. Squires,David O. Scanlon,Benjamin J. Morgan

J. Open Source Softw.（2023）

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摘要

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

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关键词

electronic structure calculations,electronic structure,energies,py-sc-fermi,self-consistent

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