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 > >
