[DFTB-Plus-User] electron phonon interaction and matrix derivative

[Dirk Ziemann]

Dear all,

I am interested in the electron phonon interaction like it is performed 
in the negf version and described in the corresponding papers.

Is it possible to get the coupling matrix in dependence on the single 
particle states and phonon modes out of the negf version? Or is it 
possible to get the matrix derivative of the overlap/hamiltonian with 
respect to x/y/z direction? or something similar to simply create the 
coupling by "hand"?

Thank you very much and best wishes

dirk


-- 
Dirk Ziemann
Humboldt Universität zu Berlin, Institut für Physik