I would like to compare energies of my calculated systems to those in MaterialsProject, but it is unclear to me which POTCAR files are used in MaterialsProject.
For example, for C element, the label of POTCAR is shown as “C”
However, the following C POTCAR file in potpaw_PBE-v54 and potpaw-06Jul11 are different but with the same headers as follows
PAW_PBE C 08Apr2002
Indeed, the get_potcar_hash in PotcarSingle class in pymatgen returns different values. In some cases, they show different energies.
So, could you let me know where we can check the get_potcar_hash numbers or theversion of POTCAR is used for materials project (e.g., potpaw-06Jul11 or potpaw-19Apr12).
Thanks in advance.