Dear all，
I have transferred the AlN tersoff parameter to LAMMPS.
The reference paper is Phys.Stat.Sol.(b),245,1118-1124(2008)
However, the transferred parameter is not correct. The structure can not be maintained by using the parameters. I wonder whether I do not transfer the parameter correctly.
The following is what I have obtained:
Al Al Al 1.0 0.3168 0.0000 0.0748 19.5691 -0.6593 6.0865 1.0
0.9274 23.0287 3.50 0.10 2.5853 492.7199
N N N 1.0 0.766120 0.000 0.178493 0.20172 -0.045238 1.0 1.0
2.38426 423.769 2.20 0.20 3.55779 1044.77
Al Al N 1.0 0.00000 0.0000 100390 16.217 -0.598000 0.7200 0.0
0.00000 0.00000 2.34 0.15 0.00000 0.00000
Al N N 1.0 0.00000 0.0000 100390 16.217 -0.598000 0.7200 1.0
1.853 249.9173 2.34 0.15 3.2 1776.4219
N Al Al 1.0 0.00000 0.0000 100390 16.217 -0.598000 0.7200 1.0
1.853 249.9173 2.34 0.15 3.2 1776.4219
N Al N 1.0 0.766120 0.000 0.178493 0.20172 -0.045238 1.0 0.0
0.00000 0.00000 2.20 0.20 0.00000 0.00000
N N Al 1.0 0.00000 0.0000 100390 16.217 -0.598000 0.7200 0.0
0.00000 0.00000 2.34 0.15 0.00000 0.00000
Al N Al 1.0 0.3168 0.0000 0.0748 19.5691 -0.6593 6.0865 0.0
0.0 0.00000 3.50 0.10 0.00000 0.00000
Could anyone help me find the reason for my problem?
Best wishes,
XIaojing
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