Hi all,
We want to simulate a gaseous flow in a microchanel, we have to define the different kinds of interaction, like gas-gas interaction, solid-gas interaction and solid-solid interaction. For this part, we use a pair_style hybrid command with lj/cut potential and Tersoff potential. The part of this subject in the input script is the following :
pair_style hybrid lj/cut 5.7 tersoff
pair_coeff 1 1 lj/cut 0.00088 2.28 5.7 # He--He
pair_coeff 1 2 lj/cut 0.0055 2.88 5.7 # He--Si (2)
pair_coeff 2 2 si. tesroff Si Si # Si (2)--Si (2)
after execution, we have in the output file the following:
Lattice spacing in x,y,z = 0.5 0.5 0.5
Created orthogonal box = (0 0 -55) to (5 2.5 55)
1 by 1 by 1 processor grid
Created 88000 atoms
ERROR: Incorrect args for pair coefficients
we know that the problem is in last command of pair_coeff, ( pair_coeff 2 2 si. tesroff Si Si ) can anyboby suggest an idea about this problem. ?
Thanks in advance.