[DFTB-Plus-User] electron phonon interaction and matrix derivative
dirk.ziemann at physik.hu-berlin.de
Thu Aug 24 13:11:38 CEST 2017
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
Humboldt Universität zu Berlin, Institut für Physik
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