-
Notifications
You must be signed in to change notification settings - Fork 0
Open
Description
From @giovannipizzi
For the sentence at the bottom, now we say "Comparison of the Birch-Murnaghan fit of the pseudopotential equation of state ("Fit") with the reference all-electron results ("Wien2k”).”. But “FIT” is never used, and I don’t think we are using Wien2k (or we shouldn’t - I would say with the reference all-electron results ["REF (AE average)”] averaged between Fleur and Wien2K from E. Bosoni et al., How to verify the precision of density-functional-theory implementations via reproducible and universal workflows, Nat. Rev. Phys. 6, 45 (2024)
Metadata
Metadata
Assignees
Labels
No labels