Stillinger-Weber (SW) potential¶
The SW potential requires a parameter file in.params.SW
of the
following format.
unit 2.1678 2.0951
1 1 7.049556277 0.6022245584 4.0 0.0 1.0 1.8
1 1 1 21.0 1.20
- Line starting with
unit
defines the units of energy and length. -
Line with 8 entries is for two-body parameters with the format,
isp, jsp, Eij, Aij, Bij, pij, qij, cij, rcij
-
Line with 5 entries is for three-body parameters with the format,
isp, jsp, ksp, sij, tij