~~NOTOC~~
====== Examples : Tersoff Potentials ======
----
//**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 9
#T TERSOFF
#I 0 0 0 0 0 0 0 0 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
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
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
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
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
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
type tersoff_mix
cutoff 6.0
chi 1.00 -10.00 10.00
omega 1.00 -10.00 10.00
type tersoff_mix
cutoff 6.0
chi 1.00 -10.00 10.00
omega 1.00 -10.00 10.00
type tersoff_mix
cutoff 6.0
chi 1.00 -10.00 10.00
omega 1.00 -10.00 10.00
Please note that there are six ''tersoff_pot'' and three ''tersoff_mix'' potentials.
==== makeapot ====
The example potential can be generated with the following ''makeapot'' command:
makeapot -n 3 -i tersoff