Which POTCARs are used in OC20?

1

Hello friends.

Could you please share which POTCAR files are used in OC20? Specifically:

  1. What version of the VASP PAW_PBE potentials are you using? v54?
  2. Which element-specific POTCARs are you using? For instance, the defaults in ASE (i.e. no-suffix), the VASP-recommended potentials, or something else?

Thanks,
Andrew

2

Hi Andrew -

  1. Yes, we’re using v54 - “potpaw_PBE.54”
  2. We’re using ASE’s default - minimal set. Our input generation can be found here if its of any help.
3

Hi @mshuaibi,

Thanks for the prompt reply. That makes sense!