Pymatgen POTCAR set-up
Published:
Pymatgen POTCAR files set-up requires two step: pmg config -p dir1 dir2
and pmg config -add dir2
. One more caveat: dir1 must end as POT_GGA_PAW_PBE
.
Ref: https://matsci.org/t/vasp-inputs-by-pymatgen-io-vasp-sets/988/3.