atomate v0.5.0 - kpoint meshes and docs

A major new release of atomate has been pushed - v0.5.0

Two things to be aware of:

  1. Pymatgen has updated its default k-point settings to (i) more closely match user intention (previously, the generated k-point mesh could be much much higher than specified) and (ii) reduce k-points for large cells. Overall, the new number of kpoints will be equal or less unless you compensate by adjusting the kpoint settings yourself (a semi-equivalent adjustment factor is not yet determined).

  2. Brandon Bocklund (Penn State) has contributed many new docs to atomate. At this point, the state of the documentation is much improved from the past and it is more conceivable that someone could bootstrap their way into using atomate.