The energy range for the various plots should be determined automatically
The manual energy range input should be taken out – or made as an optional override, but if it is really being used it should be used for all the calculations – right now I think it is only being used in the DOS plot. So the default of 1.32eV as Emax is no good for GaAs and one does not get a plot for the electron DOS.
Here is a suggested algorithm for automatic energy range determination: – fermi function plots – start from the respective fermi energy and have a range of +-15 kT – DOS and electron density plots (as a function of energy – determine the respective band edges and go 15kT above the conduction band edge and 15kT below the valence band edge
Saumitra Raj Mehrotra at on
Energy grid is being used for setting Emin and Emax for all the plots. It was set initially to let user zoom into an energy range. With better resolved plots it can be done away with with suggested energy ranges implemented.
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