# ------------------------------------------------------------- # Analysis from File # ------------------------------------------------------------- configuration = nlread(u'zero-bias.nc', object_id='gID000')[0] # ------------------------------------------------------------- # Device Density Of States # ------------------------------------------------------------- device_density_of_states = DeviceDensityOfStates( configuration=configuration, energies=numpy.linspace(-4,4,201)*eV, kpoints=MonkhorstPackGrid(7,7), contributions=All, energy_zero_parameter=AverageFermiLevel, infinitesimal=1e-06*eV, self_energy_calculator=KrylovSelfEnergy(), ) nlsave('analysis.nc', device_density_of_states) nlprint(device_density_of_states) # ------------------------------------------------------------- # Electrostatic Difference Potential # ------------------------------------------------------------- electrostatic_difference_potential = ElectrostaticDifferencePotential(configuration) nlsave('analysis.nc', electrostatic_difference_potential)