Lennard-Jones potential coefficients

Hi Oleg

exactly I’m using EAM for them, but there are another types with LJ potential in my simulations
and according to the Lorentz-Bertholet law the LJ coefficients are required.

anyway thank you Oleg.


I see. Not sure if there is such a database - when my colleagues needed such mixed parameters, they had to state them themselves. But maybe someone else can help you, so good luck)


05.10.12, 18:45, "Fahim Faraji" <[email protected]>":