Problems connected to the PseudoDojo preudopotatntials

[bosonie]

As we decided to provide protocols in this package using PseudoDojo pseudos, I think it is worth to collect here the errors encountered by Siesta while running calculations with the aforementioned preudos. Two are the common errors (taken from the Siesta README_PSML file):

• Sometimes it is not possible to execute successfully the default split-norm algorithm. Solution: use the option: PAO.TailSplitNorm T
• The default perturbative scheme for polarization orbitals can fail in very specific cases. Solution: include the species label in the block to request a non-perturbative scheme:
  %block PAO.PolarizationScheme
  Mg non-perturbative
  %endblock PAO.PolarizationScheme

Fixes will become part of the atom_heuristics I guess, at least for the moment.

First set:

• Ge of nc-fr-04_pbe_stringent_psml requires non-perturbative option
• Mg of nc-fr-04_pbe_stringent_psml requires non-perturbative option