Hi all, I would like to obtain the PDOS of a Carbon-based system, but for the different 2p orbitals in separate, that is, PDOS(2p_x), PDOS(2p_y) and PDOS(2p_z), as well as the LDOS for these orbitals alone, so as to determine if elctronic states near the Fermi energy have solely p_z character, or if there is some contribution from 2p_x and 2p_y states as well for the DOS in that energy. Is there any way of determining this, in siesta?
Cheers, Marcos -- Dr. Marcos Verissimo Alves Post-Doctoral Fellow Condensed Matter and Statistical Physics Sector International Centre for Theoretical Physics Trieste, Italy -------- I have become so addicted to vi that I try to exit OpenOffice by typing :wq!
