energy_criteria
null(default)
energy_criteria (\(\mathrm{eV/atom}\)) determines the stopping criteria for energy RMSE. In our experience, less than 10 \(\mathrm{meV/atom}\) gives a reasonable result.
null (default)
energy_criteria (\(\mathrm{eV/atom}\)) determines the stopping criteria for energy RMSE. In our experience, less than 10 \(\mathrm{meV/atom}\) gives a reasonable result.