Austin Zadoks

I made a bit of a mess yesterday trying to rebase, but I've fixed up a few things: - Fixed (I hope) the `NaN` problem - Moved the `sphericalbesselj` functions...

> Re PseudoPotentialIO.jl: why so complicated? Would not PseudoPotential be sufficient? I mean long-term I guess we should move the PspUpf and the PspHgh busyness from DFTK there as well,...

> The unit issue Yeah, this is quite messy. - `rgrid` -- Always in Bohr - `vloc` -- Always in Ry - `beta` -- Either in Bohr^{-1/2} (Vanderbilt USPP) or...

Thanks for all the interest in this! One thing we may want to tabulate first is which codes have which smearing methods implemented. If we're looking for a protocol that...

@bosonie I've made the changes that you noted; there are still some tests failing, but I'm not sure why.

@bosonie, It seems like all checks are passing now, could you please give this another look when you have a chance?

Partially done in #741 .

Should follow easily from work done in #741 . Once NLCCs are implemented, the only other feature of PSP8 that's missing is spin-orbit coupling.

I'm not sure if one exists, but I think the most used psp8 pseudos are those from PseudoDojo which are also available as UPFs (not converted, just also output by...

Also discussed in #759 .