I have noticed that, the density of transmission eigenstate around left and right electrodes are not symmetrical, even for symmetrical molecules. And, it is always seen that the density in left electrodes is quite high than in the right electrodes, even though the contact molecules attachment is same on the both side. This thing is really confusing me. And I believe this is the reason why I am getting low value of transmission spectrum. I have been trying to analyze the IV curve for the cages with thiophene. I have attached the relevant figures. Somebody please help me on this
Regards,
Anjana