search

henniggroup / VASPsol

Solvation model for the plane wave DFT code VASP.
Other
138 stars 85 forks source link

Dipole correction under implicit solvation #98

Open sjtuzhanglei opened 3 months ago

sjtuzhanglei commented 3 months ago

Dear VASPSol developers,

Do we still need the dipole correction for asymmetric slab calculation under the implicit solvation model?

I know it is a must under vacuum to diminish the electrostatic field across the vacuum region.

Does it also depends on the dielectric and ionic response? I am confused.

Thanks, Lei

andyscratch commented 2 months ago

Hello, Were you able to get an answer to your question?