Dear all:
I am trying to simulate a system with one layer graphite on the silicon. The potential for the silicon and graphite is Tersoff potential, but I want to add LJ potential between the silicon and the graphite. So I have to use the 'pair_style hybrid/overlay' option. The input file is as follow:
### 3d Carbon nanotube thermal conductivity simulation using fix heat command.
units metal
boundary s s s
### read data
atom_style atomic
read_data silicon_graphite
pair_style hybrid/overlay tersoff lj/cut 10.0
pair_coeff 1 2 lj/cut 0.0468 3.377
pair_coeff * * SiC.tersoff Si C
mass 1 28.09
mass 2 12.011
dump mydump all xyz 200 silicon_graphite.xyz
thermo_style custom step temp pe ke etotal
thermo 200
minimize 1e-9 1e-9 50000 200000
But when I run the lammps, it tell me 'ERROR: Pair coeff for hybrid has invalid style'. So if that's to say I cann't use Tersoff and LJ with the 'pair_style hybrid/overlay' option. How can I simulate my system?
Another problem is for the Tersoff 'pair_coeff' option: when I use 'pair_coeff 1 1 Si.tersoff Si', it tell me 'ERROR: Incorrect args for pair coefficients'. Why I cann't use this method to define the pair_coeff for the Tersoff potential?
Any help would be appreciated.