Optimizers for volume relaxations

[arosen]

Is it possible to use the optimizers built into VTSTTools (i.e. with the IOPT keyword argument) while doing a volume relaxation in VASP? I tried to do so but the volume remains the same despite setting ISIF = 3.

[graeme]

Only the IOPT=3 and 7 allow for cell relaxation. We should have implementation of that for the other optimizers on our to-do list.

[arosen]

Thanks for the info. That's good to know!