stewart at cnf.cornell.edu wrote: > You raise an important point that I perhaps missed with the projwfc > implementation. If projwfc can only map back to the orbitals provided in > the pseudopotential (2s 2p), then this will limit its usefulness for > determining the orbital character of higher energy conduction bands.
projwfc uses only atomic (pseudo-)orbitals contained in the pseudopotential file(s). Maybe this should be explicitly stated somewhere Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
