~~NOTOC~~
====== Examples : MEAM Potentials ======
----
//**Warning:**//
This is an example potential. Please do NOT use it for any real simulations!
This is an MEAM potential that can be used in //potfit//.
#F 0 12
#T MEAM
#I 0 0 0 0 0 0 0 0 0 0 0 0
#E
type eopp_sc
cutoff 6.0
C_1 15.00 1.00 10000.00
eta_1 6.00 1.00 20.00
C_2 5.00 -100.00 100.00
eta_2 3.00 1.00 10.00
k 2.50 0.00 6.00
phi 3.00 0.00 6.30
h 1.00 0.50 2.00
type eopp_sc
cutoff 6.0
C_1 15.00 1.00 10000.00
eta_1 6.00 1.00 20.00
C_2 5.00 -100.00 100.00
eta_2 3.00 1.00 10.00
k 2.50 0.00 6.00
phi 3.00 0.00 6.30
h 1.00 0.50 2.00
type eopp_sc
cutoff 6.0
C_1 15.00 1.00 10000.00
eta_1 6.00 1.00 20.00
C_2 5.00 -100.00 100.00
eta_2 3.00 1.00 10.00
k 2.50 0.00 6.00
phi 3.00 0.00 6.30
h 1.00 0.50 2.00
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 1.00 0.50 2.00
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 1.00 0.50 2.00
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
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
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 1.00 0.50 2.00
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 1.00 0.50 2.00
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 1.00 0.50 2.00
type parabola
cutoff 6.0
alpha 1.00 -10.00 10.00
beta 1.00 -10.00 10.00
gamma 1.00 -10.00 10.00
type parabola
cutoff 6.0
alpha 1.00 -10.00 10.00
beta 1.00 -10.00 10.00
gamma 1.00 -10.00 10.00
The analytic functions used in this example are chosen arbitrarily. Especially the angular
dependent function (parabola) has never been tested.
==== makeapot ====
The example potential can be generated with the following ''makeapot'' command:
makeapot -n 2 -i meam -f 3*eopp_sc 2*csw2_sc 2*bjs 3*csw2_sc 2*parabola