[lammps-users] meam.library-how to determine rozero and ibar

Thanks for Steve,Yi Dong and Greg Wagner’s warm help!

I have checked Baskes’s previous articles including baskes 1992, baskes 1994, baskes 1995 and baskes 1997 again. Baskes described as follows at the end of part baskes 1997: “For convenience we also apply a radial cutoff function to the atomic electron densities and pair potential which is given by fc (rc-r)/deltrr I where rc is the cutoff distance and deltrr gives the cutoff region.”

Thanks again!

Good day!

Best regards,

CHIAO Kuaixiuan

GUCAS

, PRChina