I have run the following program:
#read in the old configuration
device_configuration = nlread("FGNRARMW8L12.nc",DeviceConfiguration)[0]
calculator = device_configuration.calculator()
metallic_region0 = device_configuration.metallicRegions()[0]
# Define gate_voltages
gate_voltage_list=numpy.linspace(-2.0,2.0,17)*Volt
for gate_voltage in gate_voltage_list:
device_configuration.setMetallicRegions(
[metallic_region0(value = gate_voltage)] )
# make a copy of the calculator and attach it to the configuration
# restart from the previous scf state
device_configuration.setCalculator(calculator(),
initial_state=device_configuration)
#Analysis
filename= 'gatescanAW8L12.nc'
electron_density = ElectronDifferenceDensity(device_configuration)
nlsave(filename, electron_density,object_id='dens'+str(gate_voltage))
electrostatic_potential = ElectrostaticDifferencePotential(device_configuration)
nlsave(filename, electrostatic_potential, object_id='pot'+str(gate_voltage))
transmission_spectrum = TransmissionSpectrum(
configuration=device_configuration,
energies=numpy.linspace(-2,2,200)*eV,
)
nlsave(filename, transmission_spectrum,object_id='trans'+str(gate_voltage))
nlprint(transmission_spectrum)
How can I get the curve of "conductance vs. gate bias voltage" from file I get from the program above? (it gives me the transmission spectrum under different bias.)