Dear LAMMPS users,
I got a lot of the warning below;
WARNING: Fix qeq/reax CG convergence failed after 200 iterations at 950 step (src/USER-REAXC/fix_qeq_reax.cpp:734)
the end of the warning, I got ERROR. (ERROR: Lost atoms: original 2466 current 2399 (src/thermo.cpp:427))
I think when a molecule on the slab structure is going to react with the slab, the ERROR occurs.
How can I fix it? I expected that the molecule will react with the slab structure.