[lammps-users] Tersoff-Brenner

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1

Hi,

I was wondering if Tersoff-Brenner potential can be implemented with LAMMPS.
It would be great if I can get some feedback.

Regards,
Soumik.

Soumik Banerjee
Multiscale Multiphysics Transport Laboratory
231 Norris Hall, Virginia Tech
Cell # (540) 921-7630
Home # (540) 552-3247
Email: soumik@…31…

2

There's Tersoff in LAMMPS and you can create your own
coefficient file. Also AI-REBO which has Brenner's REBO
embedded in it. If T-B is a different functional form, then
someone would have to add it.

Steve