[lammps-users] total energy using 2NN MEAM


I am simulating a uniaxial tensile loading process on rectangular [100] oriented single-crystal Au nanowires using 2NN MEAM and also MEAM. And to activate 2NN MEAM, i set nn2 value nn2(1,1)=1 for second nearest neighbor formulation. But total potential energies for both 2NN MEAM and MEAM are perfectly the same. Is it possible to be right? Because comparing MEAM and 2NN MEAM, one should consider the contribution of second nearest neighbor atoms.

Thanks in advance,


You'll have to ask Greg Wagner (gjwagne at sandia.gov) about this.
He knows the details of MEAM settings for LAMMPS.