Lat?vi Max LAWSON DAKU wrote: > At this point, Paolo: the distinction you make between > NC and NC pseudopotentials
did I? > add a bit more to my confusion. In norm-conserving PPs, the inner pseudo-state is nodeless, so the outer pseudo-state must have one node in order to be orthogonal to the previous. With ultrasoft PP a generalized orthogonality constraint - with an overlap matrix - is enforced. In principle, this does not require that the soft parts of the pseudo-states have a different number of nodes. This is why I pointed out that my statement was valid only for norm-conserving PPs Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
