How to set box cutoff in truncated coulomb potential
Posted: Fri Jan 14, 2022 12:28 pm
Dear All,
For a 2D system, how to set "cut box" values in truncated coulomb potential calculation? Should the "cut box" slightly smaller than the cell size in the non periodic direction or should it slightly smaller than the vacuum spacing size?
Best,
Jason
For a 2D system, how to set "cut box" values in truncated coulomb potential calculation? Should the "cut box" slightly smaller than the cell size in the non periodic direction or should it slightly smaller than the vacuum spacing size?
Best,
Jason