DFT difference potential

[Premkumar Thirumalaisamy]

Dear developers and users,

      Which direction of the planar average potential(either a1, a2 and a3) I have to use to find the DFT different potential?

[Mit Naik]

Hi,

The potential alignment correction may not be that different along the different directions if the anisotropy of the screening (epsilon) is properly accounted for in the model calculation. You could also try different directions and average the result.

Best,

Mit