Rebo Potential for Si-C-H

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1

Dear lammps-users,

I would like to ask if the potential described in this paper:

“Reactive Bond-Order Potential for Si‑, C‑, and H‑Containing Materials”
J. Phys. Chem. C 2013, 117, 1323−1334

has already been implemented or tested for Lammps. I’m trying to simulate
a system containing Si-C-H but mixing different bond-order potentials such Tersoff and Rebo is not a good idea. I’m wondering if someone has the potential file describe in the above paper. Any help is very much appreciated.

Sincerely,

Dennis Arogancia

2

If nobody has the potential file available, I would suggest you contact the authors of the paper. If that is not available, you will have to create one.

Ray

3

The author has certainly posted in this forum before. Furthermore you may want to follow up on this thread as looks like there was indeed a plan to port the potential (hope that is the one you are referring to) into lammps, see: http://lammps.sandia.gov/threads/msg29769.html
Carlos