from ATK.TwoProbe import *

# Look for the eigenvector at the Fermi level
energy = 0.0*Units.eV

# Restore the SCF calculation
scf = restoreSelfConsistentCalculation('perfect_chain.nc')

# Define output on VNL file
results = VNLFile('perfect_alwire.vnl')

# Calculate the transmission eigenstates
index_list = [0,1]
kpoint_list = [(0.0,0.0)]
for index in index_list:
    transmission_eigenstate = calculateTransmissionEigenstates(
        scf,
        energy,
        quantum_numbers=(index,kpoint_list)
	)
    results.addToSample(transmission_eigenstate[0],"perfect_alwire")