When i calculated the "projected_hamiltonian_energy_spectrum" of a symmetric molecular junction, i found the "projected_hamiltonian_energy_spectrum" of left and right surfaces was not exactly the same with each other. At first, i thought there might be a little asymmetry in the left and right surfaces. Then i tested the lih2li system in the manual which was an exactly symmetric system. The problem still persist. So could anyone here tell me the reason?
The calculation is performed under zero bias by ATK 2008.10. The scripts and out files are attached below.
Many thanks for any reply and advice.
