Code review comment for lp:~nickpapior/siesta/4.1-init-DM

1. Ok :)

2. No, the current algorithm will *not* give atomic-only-charges IFF 1) the auxiliary is not used AND 2) if the cell is so small that orbitals have interactions with its own mirror orbitals (diagonal images).

If we always *only* want atomic-only charges (i.e. no supercell image overlap charges), then my state solution should not go in.

3. Let me however note that rarely would people do NO k-point sampling for cells needing an auxiliary supercell.

This is probably also a notice for us to consider why we get different results (in SCF cycles) for small cells with/without auxiliary supercells.