thetas = [0,10,20,30,40,50,60,70,80,100,110,120,130,140,150,160,170,180]

for theta in thetas:
    # Output data file
    filename = 'theta-%i.hdf5' % theta

    # Read in the collinear calculation
    device_configuration = nlread('para.hdf5', DeviceConfiguration)[0]

    # Use the special noncollinear mixing scheme
    iteration_control_parameters = IterationControlParameters(
        algorithm=PulayMixer(noncollinear_mixing=True),
    )

    # Get the calculator and modify it for noncollinear LDA
    calculator = device_configuration.calculator()
    calculator = calculator(
        exchange_correlation=NCLDA.PZ,
        iteration_control_parameters=iteration_control_parameters,
    )

    # Define the spin rotation in polar coordinates
    left_spins  = [(i, 1, 0*Degrees,    0*Degrees) for i in range(12)]
    right_spins = [(i, 1, theta*Degrees, 0*Degrees) for i in range(12,24)]
    spin_list   = left_spins + right_spins
    initial_spin = InitialSpin(scaled_spins=spin_list)

    # Setup the initial state as a rotated collinear state
    device_configuration.setCalculator(
        calculator,
        initial_spin=initial_spin,
        initial_state=device_configuration,
    )

    # Calculate and save
    device_configuration.update()
    nlsave(filename, device_configuration)

    # -------------------------------------------------------------
    # Mulliken Population
    # -------------------------------------------------------------
    mulliken_population = MullikenPopulation(device_configuration)
    nlsave(filename, mulliken_population)
    nlprint(mulliken_population)

    # -------------------------------------------------------------
    # Transmission Spectrum
    # -------------------------------------------------------------
    kpoint_grid = MonkhorstPackGrid(
        force_timereversal=False
    )

    transmission_spectrum = TransmissionSpectrum(
        configuration=device_configuration,
        energies=numpy.linspace(-2,2,101)*eV,
        kpoints=kpoint_grid,
        energy_zero_parameter=AverageFermiLevel,
        infinitesimal=1e-06*eV,
        self_energy_calculator=RecursionSelfEnergy(),
        )
    nlsave(filename, transmission_spectrum)

    # -------------------------------------------------------------
    # Spin Transfer Torque
    # -------------------------------------------------------------
    kpoint_grid = MonkhorstPackGrid(
        force_timereversal=False,
        )

    spin_transfer_torque = SpinTransferTorque(
        configuration=device_configuration,
        energy=0*eV,
        kpoints=kpoint_grid,
        contributions=Left,
        energy_zero_parameter=AverageFermiLevel,
        infinitesimal=1e-06*eV,
        self_energy_calculator=RecursionSelfEnergy(),
        )
    nlsave(filename, spin_transfer_torque)