Hi, I"m trying to simulate a 2 layer graphene sheets.
For atoms in the same sheet is used a Tersoff potential and the inter-layer potential is
LJ. The bottom atoms are type 1 and the upper are type 2.
I use the attached input, wich is the same as I have read in other questions, but the error appears in anyway. What is wrong with it?.
pair_style hybrid tersoff tersoff lj/cut 10
pair_coeff 1 2 lj/cut 0.004556134 3.851
pair_coeff * * tersoff 1 Ctersoff1.dat C NULL
pair_coeff * * tersoff 2 Ctersoff1.dat NULL C
My LAMMPS version is LAMMPS (27 Oct 2021)
Ctersoff1.dat (428 Bytes)
input_bilayer.graphene (1.4 KB)
pos.data (142.1 KB)