Dear Elie, If you mean the simple Slater-Koster type tight-binding scheme that one finds in introductory solid state books, it is a rather rudimentary, low accuracy method for most systems and I doubt that it would be very useful in a first-principles code. However, if you are doing it as an exercise, I suggest you do it analytically (Saito and Dresselhaus' book essentially does it all for you). If you need to apply it to a real project then just do a Google search, you will get several hits.
Hope this helps, Hande On Mon, 22 Feb 2010, Elie Moujaes wrote: > > Dear all, > > > > I am a beginner in using Quantum Espresso (well computational techniques in > general). I am trying to use the tight binding (TB) model to calculate energy > bands in graphene. Is there a package for the TB model in Espresso or does it > need to be implemented? > > > > Thanks in advance. > > > > > > _________________________________________________________________ > Send us your Hotmail stories and be featured in our newsletter > http://clk.atdmt.com/UKM/go/195013117/direct/01/ -- Hande Toffoli Department of Physics Office 439 Middle East Technical University Ankara 06531, Turkey Tel : +90 312 210 3264 http://www.physics.metu.edu.tr/~hande
