[lammps-users] Varification of LAMMPS with meam by GSFE curves

I compiled LAMMPS with meam library, and I tried to get GSFE(generalizes stacking fault energy) curves of Cu. But I got abnormal shape of GSFE curve with meam potential. (you can see the figure within this e-mail)

I could get proper GSFE curve of Cu by Mishin(EAM potential) through the same way. What I changed in the input file is only replacement EAM potential with MEAM potential.

How can I get proper GSFE curves with MEAM potentials? I wonder if I compiled the LAMMPS improperly. Please give me some advices.

(MEAM library was compiled with intel fortran compiler and LAMMPS was compiled with intel c++ compiler with mpich)

Best regards,

Jun Hwan

pair_style meam
pair_coeff * * /home/junanyoo/molecular_dynamics/EAM_potentials/library.meam Cu Cu.meam Cu

gsfe.jpg

I doubt this is a LAMMPS or compilation issue. Probably
something about MEAM parameters and whether it is appropriate
for the problem you are doing. Greg, any comments?

Steve

2009/6/8 YooJun Hwan <[email protected]...>: