Tight-binding calculations in Mathematica
-
Download the latest release, distributed as a
.paclet
file, and install it using thePacletInstall
function in Mathematica:Needs["PacletManager`"] PacletInstall["path2paclet"]
Insert
path2paclet
via Mathematica's Insert → File Path... menu command. -
Evaluate
<<TBpack`
to load the application into the Mathematica session. -
Test TBpack using
AtomicStructure[Nanotube[10, 10]]
. -
Test MaTeX using
MaTeX["x^2"]
.Packages MaTeX by Szabolcs Horvát and CustomTicks by Mark A. Caprio are integral parts of
TBpack
.Compilation to C code is used in TBpack to speed up optical absorption spectra calculations. See how to make Mathematica working with C compiler on Windows. If compiler is not available Mathematica will run uncompiled function.
-
Open the documentation center and search for "Hamiltonian" to get started.
TBpack is free to use and distribute and will stay so. However, since it is developed in my own time consider supporting the project to help me to explain my wife why I should spend our weekends on this :)