About potential sw and lj

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1

Hi!

Model has 3 atom type Si S Mo.

Potential in LAMMPS:

pair_style hybrid sw lj/cut 10.0
pair_coeff * * sw Si.sw Si NULL NULL
pair_coeff * * sw MoS.sw NULL S Mo
pair_coeff 1 2 lj/cut 6.2 4.2 8
pair_coeff 1 3 lj/cut 6.5 3.8 8

But “ERROR: All pair coeffs are not set (…/pair.cpp:199)”

Anyone has a suggestion!

2

You need to change your two “sw” to “sw 1” and “sw 2”

R