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Description
Feature Requested
The atomate
repository contains an input set for surface calculations - MPSurfaceSet
- whose parameters differ slightly from MVLSlabSet
and appears to have been used in the adsorption workflows. The InputSet
was intended to be moved to pymatgen, but it has not yet happened.
Proposed Solution
Add MPSurfaceSet
to pymatgen.io.vasp.sets.py
. Update the API if needed for compatibility with recent changes to VaspInputSet
Relevant Information
No response