Dear LAMMPS users,
I’m a rather new LAMMPS user, and I have a question about geometry optimization, and I hope for your help.
When I did relaxation of my structure using cg optimizer a noticed that the final maximal force component is so big
Force max component initial, final = 152.668 1.82271
When I try to relax simple structure like a diamond structure I obtained good force components (~1e-08), but in this case forces are so big.
Anyway it would be very kind of you if somebody can help me to fix this problem
I attached Input file with relaxation parameters and log file
Thank you
input_relax (702 Bytes)
log.lammps (2.01 KB)