[lammps-users] LJ potential Parameter


I’m trying to make Cu-Zr metallic glass using LJ(12-6)potential.

I used both 12-6 and 8-4 LJ potential and calculated bulk moduluse.

In Cu case, calculated bulk moduluse is about 4 times greater than reference.

and in Zr case, calculated bulk modulus is about 10 time greater than reference…

I think the parameter value is wrong,

But i don’t know what is wrong …

If somebody had used LJ potential, can you check if my parameter is wrong or not …

The parameter which i used is listed below