[lammps-users] SiC.tersoff vs SiCGe.tersoff

Hello,
I compared the two files with Tersoff (1989) parameters for SiC. The
differences in parameter values are negligible
and both files give good simulation results, but sometimes it's handy
to have exactly the same values (e.g. to compare two different Tersoff
implementations), so I listed here the differences I noticed:

SiCGe.tersoff / SiC.tersoff
1.7322 / 1.73222
395.1223 / 395.126
2.3573 / 2.36
0.1527 / 0.15

(i think the numbers in SiCGe file are more exact)

The last difference, also negligible, is B parameter for C.
In the original paper and in both potential files the value is 346.7,
but in the errata to the Tersoff's paper (PRB 41, 3248) the value is
corrected to be 346.74.

Thanks for the great software and merry Christmas/holidays,
Marcin

I'll check with Aidan and we can make the files consistent.

Steve