Hi,
I'm simulating a metal nanowire and trying to figure out the electron affinity of different metals (the attached images are for Gold FCC nanowire).
My question is why are the Electrostatic Difference Potential and Effective Potential graphs inverted? Reading the other forum posts about EDP, I would expect the graphs to have the same shape. Also, I would expect the effective potential to have valleys where the atom positions are, rather than peak.. What am I doing wrong?
Difference Potential
Effective Potential (aligned with the nanowire cross section)
Thanks for your help.
