Dear Wenmei Ming, surface states are, by definition, localized at the surface and, in term of band energy, they are located in gaps of the bulk-projected bund structure. as such you can identify them in the list of eigenvalues and then plot their three dimensional density using (for instance) the post processing tool pp.x (plot_num=7)... resonant surface states are more tricky as they do not correspond to a single state but to an energy window and extend inside your slab ... they can be visualized by looking at the integrated local density of states (ILDOS) plot_num=10 in the energy window of interest.
Hope this helps, stefano de Gironcoli -SISSA & DEMOCRITOS yaoyugui wrote: > Dear all, > I am simulating the Be(0001) surface through N-layer slab construction. > But how can I decompose the calculated bands into surface states and > bulk states. > From a few publications concerning DFT calculation of surface structure, > the final bands are showed as surface projected bulk bands, > distinctively pointing out > the surface states and the surface resonance states. > How can I separate the surface state and surface resonance state from > the bulk state > using PWSCF package? or additional codes are required ? > Could anyone give me suggestion? > Thanks a million. > Wenmei Ming > Institue of Physics, > Chinese Academy of Sciences > Beijing 100190 > People's Republic of China > > ------------------------------------------------------------------------ > ????? Windows Live Messenger ???????? ????? > <http://im.live.cn/messenger.aspx> > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
