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.
I've had some feedback that the DefectSystem.report() could be more human readable. I think this is valid, and now the code has well and truly moved away from an SC-Fermi clone, I don't see a reason to not think about a total restructure.
I've had some feedback that the
DefectSystem.report()could be more human readable. I think this is valid, and now the code has well and truly moved away from an SC-Fermi clone, I don't see a reason to not think about a total restructure.