potfit wiki

open source force-matching

User Tools

Site Tools


examples:potentials:stiweb:1

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.

Example_StiWeb_1
#F 0 3
#T STIWEB
#I 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_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

makeapot

The example potential can be generated with the following makeapot command:

makeapot -n 1 -i stiweb
examples/potentials/stiweb/1.txt ยท Last modified: 2018/01/10 17:39 by daniel