This is an EAM potential that can be used in potfit.

It makes use of the global parameters and smooth cutoff features.

Example_EAM_1

#F 0 3
#T EAM
#I 0 0 0
#E

global 1
h 1 0.5 2

type morse_sc
cutoff 6.0
D_e     0.10    0.00    1.00
a       2.00    1.00    5.00
r_e     2.50    1.00    5.00
h!

type csw2_sc
cutoff 6.0
a       0.20    -2.00   2.00
alpha   2.00    1.00    6.00
phi     0.00    0.00    6.30
beta    3.00    0.50    5.00
h!

type bjs
cutoff 6.0
F_0     -1.00   -10.00  0.00
gamma   2.00    0.10    2.00
F_1     2.00    1.00    5.00

The pair and transfer functions (morse_sc and csw2_sc) both use the smooth cutoff feature. The cutoff parameter h is shared by using a global parameter.

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

makeapot -n 1 -i eam -g -f morse_sc csw2_sc bjs