py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic equilibrium (or quasi-equilibrium) given defect formation energies.
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add a warning when defect concentrations are "beyond dilute limit" #17
It would be nice to warn the user if the code predicts defect concentrations beyond the dilute limit. This would be simple to implement, we would just need a definition of when the dilute limit approximation is becoming questionable. This could easily be heuristic.
It would be nice to warn the user if the code predicts defect concentrations beyond the dilute limit. This would be simple to implement, we would just need a definition of when the dilute limit approximation is becoming questionable. This could easily be heuristic.