LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] Fwd: Tersoff vs Vashishta potential
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] Fwd: Tersoff vs Vashishta potential


From: Steve Plimpton <sjplimp@...24...>
Date: Fri, 30 Jun 2017 09:28:45 -0600

Anders can likely comment.

Steve

On Thu, Jun 29, 2017 at 1:40 PM, Zhen xu <zhen.xu111@...24...> wrote:
Dear All,

I use Tersoff and Vashishta potentials which come with LAMMPS to describe interatomic interactions between Si and C. 

A box including SiC is equilibrated under PBCs at room temperature. while using Tersoff potential, everything is fine, however, when i use Vashishta potential, atoms start flying. The point is that i use "exactly the same script" (except for the potential function) for both simulations.

I have attached two snapshots which show the situation.

I wonder if anybody can tell me why this happens, and if there is any solution for it.

Kind regards,

Zhen


------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@...6297....sourceforge.net
https://lists.sourceforge.net/lists/listinfo/lammps-users