Dear all,
I have read the paper “Numerical Tools for Atomistic Simulations” to which lammps references at page 1640 specially for MEAM potential. I think the paper has some errors in formulations:
First, in page 31 of the paper, in the relations 4.17, all the denominators are wrong. The corrected denominator is written in the first attachment.
Second, in the same page in the relation 4.17a, a minus sign in the first parenthesis of the numerator is missed. The corrected numerator is written in the second attachment.
Third, in page 34 in the relation 4.30e, W3 is wrong due to the fact that the result should not be a vector.I think it should be replaced with W2.
I need to know if I am right, where can I find the corrected formulations? Because the only paper in which the MEAM derivations are clearly declared, is this one. In other words, I need the exact formulations of energy and forces of MEAM potential that you have used in LAMMPS.
