"ERROR: Incorrect args for pair coefficients".

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1

Dear LAMMPS users,
I am using pair_style hybrid with potentials lj & tersoff. I am simulating 4 different types of atoms for which pair_coeff I have mentioned below. I am getting “ERROR: Incorrect args for pair coefficients”.

Any help is appreciated.Thanks in advance.

pair_style hybrid/overlay lj/cut {rc} tersoff

pair_coeff 1 1 lj/cut 1.0 1.0 1.0
pair_coeff 1 2 lj/cut 1.0 1.0 1.0
pair_coeff 1 3 lj/cut 1.0 1.0 1.0
pair_coeff 1 4 lj/cut 1.0 1.0 1.0

pair_coeff 2 2 lj/cut 1.0 1.0 1.0
pair_coeff 2 3 lj/cut 1.0 1.0 1.0
pair_coeff 2 4 lj/cut 1.0 1.0 1.0

pair_coeff 3 3 tersoff C.tersoff C
pair_coeff 3 4 lj/cut 1.0 1.0 1.0

pair_coeff 4 4 lj/cut 1.0 1.0 1.0

2

Dear LAMMPS users,
I am using pair_style hybrid with potentials lj & tersoff. I am simulating 4
different types of atoms for which pair_coeff I have mentioned below. I am
getting "ERROR: Incorrect args for pair coefficients".

Any help is appreciated.Thanks in advance.

http://lammps.sandia.gov/doc/pair_hybrid.html

3

pair_coeff 3 3 tersoff C.tersoff C

This line is not correct, see the pair tersoff doc
page.

Steve