Continuum model band structure from the relax atomic data

[Gayani Pallewela]

Dear All,

This might not be directly related to twister group. 

Once we get input LAMMPS coordinates from Twister we do MD simulation.

It gives us the relaxed atomic coordinates.

In the papers that your research group publish I have seen the continuum model hopping parameters are extracted.  Can you please explain exactly how you do that.

Thanks

Gayani