[lammps-users] MEAM potential

Dear Steve and Greg Wagner

Could it be possible to know whether the implementation of the MEAM potential includes the screening function (Sij) as in:

  • Modelling Simul. Mater. Sci. Eng. 17 (2009) 075008
  • J. Phys.: Condens. Matter 22 (2010) 055401

From the /lib/meam/ files it seems that the potential energy is differentiated wrt to sij, but I am not sure if both terms are the same.

Thank you in advance, Javier
PD: See figure attached

equation.JPG

Greg will have to answer this.

Steve

equation.JPG