"e*V" is meant to indicate "charge times potential", as opposed to
"potential", not "electronvolt". Energies are in atomic Ry units unless
otherwise stated, so your potential (energy) in the vacuum is around 14 eV
Paolo
On Thu, Mar 25, 2021 at 2:23 PM Offermans Willem
wrote:
> Dear Quantum
Dear Quantum Espresso friends,
I have relaxed a Pt(111) surface with 5 metal layers and S_2 symmetry :)
To validate the calculations, I like to plot the x,y-averaged electrostatic
potential
along the z-coordinate of the unit cell.
I have used pp.x and the following input file (pt.ppi) to
