After a bit of use of the psf pseudopotentials (translated from PseudoDojo psml), we discovered that siesta incorrectly creates the basis when the psf pseudo presents semicore states.
Therefore we revert to "standard" psml (the "stringent" perform worst). This means that only latest versions of siesta can be use the protocol system. In the future we might add a again the psf, but we need to impose a manual basis for it.
For this reason, added the possibility to specify a pao basis block in the atom heuristics of the protocols.
After a bit of use of the psf pseudopotentials (translated from PseudoDojo psml), we discovered that siesta incorrectly creates the basis when the psf pseudo presents semicore states. Therefore we revert to "standard" psml (the "stringent" perform worst). This means that only latest versions of siesta can be use the protocol system. In the future we might add a again the psf, but we need to impose a manual basis for it. For this reason, added the possibility to specify a pao basis block in the atom heuristics of the protocols.