Comment 20 for bug 1783785

It is clear that there is a bug for the onsite implementation, I didn't want to imply otherwise. If you need the basis element with g-character then the offsite is the only solution until the bug is fixed.

In any case in our tests the offsite calculations are not more expensive. There is a small penalty in the Hamiltonian setup and in many cases the scf cycle need less iterations. Usually the onsite approximation is good, but we have found significant differences in some cases, mainly topological insulators. It will be interesting to know what happens for gold.

Best,

Roberto