Dear all,
I am now using EAM potential, in which the total energy E is the sum of pair potential energy Phi(r) and embedding energy F(rho). How can I output the total pair potential separately, or embedding part? I firstly tried 'pe' and 'epair' in thermo output which I supposed they represented E and pair potential Phi, but these two gave me exactly same value. I think I may misunderstood the meaning of 'pe' and 'epair' here...
Thanks for any suggestion in advance
Best
Yi