Warning: This is an example potential. Please do NOT use it for any real simulations!
This is a Tersoff potential that can be used in potfit.
#F 0 1 #T TERSOFF #I 0 #E type tersoff_pot cutoff 6.0 A 1.00 -10.00 10.00 B 1.00 -10.00 10.00 lambda 1.00 -10.00 10.00 mu 1.00 -10.00 10.00 gamma 1.00 -10.00 10.00 n 1.00 -10.00 10.00 c 1.00 -10.00 10.00 d 1.00 -10.00 10.00 h 1.00 -10.00 10.00 S 1.00 -10.00 10.00 R 1.00 -10.00 10.00
Please note that there is only a tersoff_pot
and no tersoff_mix
potential for a single
atom type.
The example potential can be generated with the following makeapot
command:
makeapot -n 1 -i tersoff