Hi @Joseph_Montoya
I find some strange in pymatgen.io.vasp.sets.MPRelaxSet.
For example:
from pymatgen.ext.matproj import MPRester
from pymatgen.io.vasp.sets import MPRelaxSet
MP = MPRester(‘XXXXXXXXXXXXX’)
a = MP.get_structure_by_material_id(‘mp-19306’)
b = MPRelaxSet(a)
b.write_input(’.’)
But, when I compare the files(INCAR, KPOINTS,POSCAR, POTCAR) got in those commands with what you give on the website, I find they are different. Especially some parameters in INCAR (MAGMOM) and KPOINTS.
Hope for your reply.
