I am getting an error while writing a script for AL-CNT potential interaction. Here I am showing my script also. please guide me where I am doing wrong.
# ------------------------ FORCE FIELDS ------------------------------
pair_style hybrid lj/charmm/coul/long 8.0 10.0 eam airebo 3.0
pair_coeff 1 2 lj/charmm/coul/long 0.03438 3.01 #Al-C
pair_coeff * * eam 1 Al_jnp.eam Al NULL #Al-Al
pair_coeff * * airebo 3.0 2 CH.airebo C #C-C
I considered LJ for Al-CNT interaction
eam for Al-Al interaction and AIREBO for C-C interaction
1 defined for Al and 2 for carbon
Error i am getting is:
Incorrect args for pair coefficients (src/MANYBODY/pair_eam.cpp:376)
Last command: pair_coeff * * eam 1 Al_jnp.eam Al NULL #Al-Al