Update MPScanRelaxSet with R2Scan #1952
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rkingsbury
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Summary
Migrate
MPScanRelaxSetto the R2Scan metaGGA functional of Furness et al (see paper).R2SCANvariant of SCANIterative changes to specific INCAR parameters (e.g., ENCUT) may be made in the future, pending new benchmarking studies using R2Scan. The purpose of this PR is to allow devlopment tests in the atomate workflow to pass (see hackingmaterials/atomate#454)
Note that R2Scan is not officially supported in VASP. Docstrings have been updated to explain this fact to users and instruct them to contact the manuscript's authors for source code if desired. The docstring also has instructions for substituting the original SCAN functional, which is officially supported.