Calling sw potential

LAMMPS
1

hello community!
Can anyone help?
I m making a MD simulation on phosphorene and I want to call my sw potential in the input file?
the sw potential:

element 1, element 2, element 3,

epsilon, sigma, a, lambda, gamma, costheta0, A, B, p, q, tol

P1 P1 P1 0.0433634 0.2103 13.3143 9.2660 2.1707 -0.1045 4.3807 3045.2 4.0 0.0 0.0
P2 P2 P2 0.0433634 0.2103 13.3143 9.2660 2.1707 -0.1045 4.3807 3045.2 4.0 0.0 0.0
P1 P2 P2 0.0433634 0.1559 17.9602 0 2.9282 0 4.0936 10164.1 4.0 0 0
P2 P1 P1 0.0433634 0.1559 17.9602 0 2.9282 0 4.0936 10164.1 4.0 0 0
P1 P1 P2 0.0433634 0 0 11.4510 0 -0.2419 0 0 0 0 0
P1 P2 P1 0.0433634 0 0 11.4510 0 -0.2419 0 0 0 0 0
P2 P1 P2 0.0433634 0 0 11.4510 0 -0.2419 0 0 0 0 0
P2 P2 P2 0.0433634 0 0 11.4510 0 -0.2419 0 0 0 0 0

0.0433634

2

Hi @Zakariya,

Best place to start is to follow the instruction as explained in the manual page of the SW pair_style.

Toy examples on how to format your inputs can be found in the examples/threebody of the lammps source code repository. You can find more info on these scripts here.

If the question concerns validation of the content of your potential file, or why it does not work in your current work flow, it is nearly impossible to provide meaningful insights without more context.

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