Gerhard Klimeck @ on
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