Hi All,
I am running NEB simulation for determination of energy barrier during a vaccancy diffusion.
After the simulation, I got files which were named log.lammps0, log.lammps1 … but files were blank.
Kindly suggest me some solutions.
I used the following script.
variable seed index 29197
units metal
boundary m m p
atom_style atomic
atom_modify map array
read_data vacancy_7329.lmp
pair_style eam/alloy
pair_coeff * * NiCoCr.lammps.eam Ni
timestep 0.01
min_style fire
fix 1 all neb 1.0
neb 1.0e-8 1.0e-8 10000000 500 50 final vacancy_7326.lmp