Hi, I´m traying to calculete the Energy bands of graphite layer, does anyone know what numbers should I put in %block BandLines for this hexagonal lattice???
On Wed, Jun 10, 2009 at 2:29 AM, <apost...@uni-osnabrueck.de> wrote: > Dear Shi, > it was not a good idea to send your 3 MB or so of data > to the mailing list, and twice. > If you want to show an example, show it short. > > To your question: yes, you got the arithmetics right. > Only that, for systems with gap SIESTA sets "the Fermi energy" > more or less in the middle of the gap, whereas in other codes > it may be diferent, e.g., at the top of the valence band. > The conclusion from this depends on what you want to do > with your plot. > > Best regards > > Andrei Postnikov > > > > > Dear all, > > I have plotted the density of states. I wonder the fermi energy in the > > picture. I get the fermi energy -4.4473 from A.EIG file, and I get two > > pictures. "1" is the DOS with "the energy", and "2" is the DOS with "the > > energy relative to the Fermi energy". They are all in the appendix. Am I > > right? If I am not right, how to plot DOS with "Energy relative to the > > Fermi energy"? > > Best Wishes! > > Shi > > > > > -- Lic. Guillermina Leticia Luque Dpto de Físico Química Facultad de Ciencias Químicas Universidad Nacional de Córdoba
