NEB Hydrogen Diffusion barrier

Hi all,

I am new to LAMMPS and I am currently having difficulty on how to start the simulation in LAMMPS for the hydrogen diffusion barrier calculation via neb method on a crystal surface. Your help is greatly appreciated!

Thank you!

Very truly yours,
Miq

Hi all,

I am new to LAMMPS and I am currently having difficulty on how to start the
simulation in LAMMPS for the hydrogen diffusion barrier calculation via neb
method on a crystal surface. Your help is greatly appreciated!

to get help, you have to be more specific as to what exactly your problems are.

axel.