VASP implementation - Githubissues

PCMSolver / pcmsolver

An API for the Polarizable Continuum Model

http://pcmsolver.readthedocs.io/

GNU Lesser General Public License v3.0

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VASP implementation #181

Closed Hopper1313 closed 3 years ago

Hopper1313 commented 4 years ago

Is it possible to implement PCMSolver in VASP and other solid-state programs?

robertodr commented 4 years ago

I don't have any experience on solvation models with periodic boundary conditions, so it's hard for me to evaluate what changes need to be done to the library itself to make it work.