~~NOTOC~~
====== Examples : Stillinger-Weber Potentials ======
----
//**Warning:**//
This is an example potential. Please do NOT use it for any real simulations!
This is a Stillinger-Weber potential that can be used in //potfit//.
#F 0 13
#T STIWEB
#I 0 0 0 0 0 0 0 0 0 0 0 0 0
#E
type stiweb_2
cutoff 6.0
A 1.00 -10.00 10.00
B 1.00 -10.00 10.00
p 1.00 -10.00 10.00
q 1.00 -10.00 10.00
delta 1.00 -10.00 10.00
a_1 1.00 -10.00 10.00
type stiweb_2
cutoff 6.0
A 1.00 -10.00 10.00
B 1.00 -10.00 10.00
p 1.00 -10.00 10.00
q 1.00 -10.00 10.00
delta 1.00 -10.00 10.00
a_1 1.00 -10.00 10.00
type stiweb_2
cutoff 6.0
A 1.00 -10.00 10.00
B 1.00 -10.00 10.00
p 1.00 -10.00 10.00
q 1.00 -10.00 10.00
delta 1.00 -10.00 10.00
a_1 1.00 -10.00 10.00
type stiweb_2
cutoff 6.0
A 1.00 -10.00 10.00
B 1.00 -10.00 10.00
p 1.00 -10.00 10.00
q 1.00 -10.00 10.00
delta 1.00 -10.00 10.00
a_1 1.00 -10.00 10.00
type stiweb_2
cutoff 6.0
A 1.00 -10.00 10.00
B 1.00 -10.00 10.00
p 1.00 -10.00 10.00
q 1.00 -10.00 10.00
delta 1.00 -10.00 10.00
a_1 1.00 -10.00 10.00
type stiweb_2
cutoff 6.0
A 1.00 -10.00 10.00
B 1.00 -10.00 10.00
p 1.00 -10.00 10.00
q 1.00 -10.00 10.00
delta 1.00 -10.00 10.00
a_1 1.00 -10.00 10.00
type stiweb_3
cutoff 6.0
gamma 1.00 -10.00 10.00
a_2 1.00 -10.00 10.00
type stiweb_3
cutoff 6.0
gamma 1.00 -10.00 10.00
a_2 1.00 -10.00 10.00
type stiweb_3
cutoff 6.0
gamma 1.00 -10.00 10.00
a_2 1.00 -10.00 10.00
type stiweb_3
cutoff 6.0
gamma 1.00 -10.00 10.00
a_2 1.00 -10.00 10.00
type stiweb_3
cutoff 6.0
gamma 1.00 -10.00 10.00
a_2 1.00 -10.00 10.00
type stiweb_3
cutoff 6.0
gamma 1.00 -10.00 10.00
a_2 1.00 -10.00 10.00
type stiweb_lambda
cutoff 6.0
lambda_000 2 0 3
lambda_001 2 0 3
lambda_002 2 0 3
lambda_011 2 0 3
lambda_012 2 0 3
lambda_022 2 0 3
lambda_100 2 0 3
lambda_101 2 0 3
lambda_102 2 0 3
lambda_111 2 0 3
lambda_112 2 0 3
lambda_122 2 0 3
lambda_200 2 0 3
lambda_201 2 0 3
lambda_202 2 0 3
lambda_211 2 0 3
lambda_212 2 0 3
lambda_222 2 0 3
Please note that there is only a single ''stiweb_lambda'' potential which contains
all required lambda parameters. The number of parameters for the ''stiweb_lambda'' potential
depends on the total number of atom types.
==== makeapot ====
The example potential can be generated with the following ''makeapot'' command:
makeapot -n 3 -i stiweb