Airebo potential

Dear Lammps Users,

I am trying to run MD for one SWNCT(10,10). I have never used aired potentials before but I followed the manual but I end with the following error Incorrect args for pair coefficients (…/pair_airebo.cpp:161). I checked the pair coefficients and every thing looks fine. Here is a copy of the input file. I did not include all the file because the simulation stop at pair coefficient

units metal

boundary f f f

dimension 3

#processors 5 4 6

atom_style molecular

newton on

read_data tube1.txt

pair_style airebo 1.7 1 1

pair_coeff * * CH.airebo C C

dump 1 all custom 5000 tube.lammpstrj id mol type x y z c_1 c_2


Also here is copy of the text file tube1.txt

LAMMPS data file. CGCMM style. atom_style molecular generated by VMD/TopoTools v1.7 on Wed Sep 13 00:16:58 EDT 2017

1640 atoms

2440 bonds

4840 angles

1 atom types

1 bond types

1 angle types

-50.000000 50.000000 xlo xhi

-50.000000 50.000000 ylo yhi

-0.614012 100.083956 zlo zhi

Pair Coeffs

Hi Elene,

You have only 1 atom type in the structure and yet you defined two atom types in the pair_coeff command, hence the error.