Dear experts,
I have H2O molecules on graphene on hexagonal boron nitride. I have place left and right electrode as shown in the picture (see picture 1) to simulate the I-V characteristic. The simulation took almost 2 days and nothing appear on the I-V curve once the simulation completed (see picture 2). I would like to seek help from expert for me to understand this problem. Is there any problem related to the settings or placement of molecule ? The I-V characteristic appear if without molecules.
