Experience from the tutorial
Experience from the tutorial:
People try to calculate band structures and density of states in a single run. Of course they only have the k point set for the band structure calculation. Maybe we should write out a warning if both are to be calculated in the same run.
We still have situations in which two only slightly differing inputs feature very different convergence behavior.
For silver, especially silver films, the Fermi energy often cannot be calculated. Maybe due to a rather small k point set. Increasing the Fermi smearing solves the problem. But maybe we can find the root of the problem and solve it in a more automatic way.