Hello everyone,
I am using airebo potential for C-C bonding in diamond. However I always obtain the following error
ERROR: Incorrect args for pair coefficients (…/pair_airebo.cpp:160)
It seems lammps cannot locate CH.airebo file. I have kept it in my current directory as well.
My code is as below.
Any suggestion is highly appreciated.
Thanks,
Shouvik
units metal
dimension 3
boundary p p p
atom_style full
----------------------- ATOM DEFINITION ----------------------------
lattice diamond 3.57
region upper block 0 50 0 50 0 80 units box
create_box 1 upper
mass 1 12
create_atoms 1 region upper
------------------------ FORCE FIELDS ------------------------------
pair_style airebo 3.0
pair_coeff * * airebo CH.airebo NULL C