On Oct 26, 2009, at 18:20 , Nicola Marzari wrote: > I would be a bit careful with a NCPP and 11e, since you will have only > one projector per angular momentum
not necessarily so: you can have more than one projector per angular momentum in NCPP as well. The problem with the "atomic" code in QE is that the pseudo-orbitalls have to be nodeless. This makes it impossible to choose for instance 2s and 3s as reference orbitals. P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
