Hi there

I would like to do a Binding Energy (BE) decomposition of a host-guest system. I optimized the system with CASTEP and got a negative BE so I would like to explore BE decomposition to see each contribution [1]. Is there a way that I can do this decomposition with CASTEP...? 

Any help would be highly appreciated.

[1] E_bin = E_Pauli + E_elstat. + E_orb. + E_disp

-Monu