ConvexHull is very slow to compute hull energies
I have 6-component FCC alloy. Using the DFT-relaxed energies with about ~ 800 structures that should span the full composition space, I get this error. I'll make a table of the compositions and energies to share. In the meantime, where to should I look to resolve this?
More info:
I'm using tight SCF tolerances (1e-9) and some of the structures are very unstable and have relaxed very far.
I was hoping the use the CHull to plan my next set of training structures in this composition space.