How to Generate a 3D Grid for Tight Binding Wave Functions?

[wellery]

Dear all,

Could somebody please, indicate me some tutorial, in order to generate a 3D grid to plot the wave function using the Hamiltonian eigenvalues and the slater type orbitals ?

Thanks in advance,

Wellery

 

[DrDu]

You could try out Yaehmop:
http://yaehmop.sourceforge.net/