Lorenzo Paulatto wrote: > If you are putting semicore states in valence, you will have two states > (let's call > them inner and outer) with the same angular momentum. When you are generating the PP > you can either ask for the external state to have 0 nodes (e.g. setting L=S+1) > or one node (L=S+2. Both choices are ok, which one is better depends on the details.
for norm-conserving PP I don't think you can: the inner one must have 0 nodes, the outer one 1 Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
