Dear Open catalyst project team,
Thank you for creating such extensive database. I was wondering of you could please share a sample Vasp input files that I can use to reproduce your DFT calculation, specifically the trajectories in the IS2RE section of the database. I tried following the calculation steps as mentioned in your dataset paper but the errors are huge (Probably because I don’t know the k-mesh size or some other computational flag that I didn’t considered).
Thanking you in advance. Looking forward to hearing from you.