[lammps-users] Tersoff potential for SiC

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1

I am looking at the SiC.tersoff file from Rituparna Narulkar that is
included with LAMMPS. I don't have the referenced paper. Could somebody
please address the following questions?

1. Parameters for SiCC are different from those for CSiSi. But according
to the documentation, they should be same due to arguments of symmetry.
2. Parameters for CCC are identical with parameters for CSiC. Is this
okay?

Thanks
Rohit

Senior R&D Engineer
Hawthorne &York Intermational
4645 S 35th Street
Phoenix, AZ 85040
Ph. +1 602 275 4633, Ext 210
Fax: +1 602 273 4503

2

The parameters are according to the way Tersoff code works. Some of the parameters are even redundant and are not used by the code. I have provided the values for the sake of "completeness".

Rutuparna