Are dispersion corrections accurate outside equilibrium? A case study on benzene

@TitouLoos SCAN is quite amusing. In plane waves it wobbles even with quite a large energy cutoff. https://t.co/sfsceyrxkK

@Marcel_Swart @Dr_GHill Figure 1 of https://t.co/8VyW4qUZDk introduces the issue More tests https://t.co/pMw4CUXkBl Similar issue in benzene https://t.co/sfsceyIAmK

@WheelerCompChem @ChemRxiv There's honestly no need if you're citing Erin's earlier work. Our work only touches on the issue and I wasn't pushing for its inclusion. Main difference is we showed it in a planewave code. https://t.co/sfsceyIAmK

Are dispersion corrections accurate outside equilibrium? Find the answer in this case study published in the platinum #openaccess Beilstein J #OrgChem https://t.co/qOtH8KsHZZ #benzene thanks to @timgould_scienc https://t.co/IEEHHTbuwA