| 1 |
gezelter |
2 |
! This is the forcefield file for the Embedded Atom Method Force Field (EAM_FF). |
| 2 |
|
|
! |
| 3 |
|
|
! There is only a section for AtomTypes which defines mass and the name |
| 4 |
|
|
! of the file which contains the rho(r), phi(r) and F[rho] functions. |
| 5 |
|
|
|
| 6 |
gezelter |
1279 |
begin BaseAtomTypes |
| 7 |
tim |
244 |
Au 196.97 |
| 8 |
|
|
Ag 107.87 |
| 9 |
|
|
Cu 63.550 |
| 10 |
|
|
Ni 58.710 |
| 11 |
|
|
Pd 106.40 |
| 12 |
|
|
Pt 195.09 |
| 13 |
gezelter |
1449 |
Al 26.98 |
| 14 |
gezelter |
1279 |
end BaseAtomTypes |
| 15 |
gezelter |
2 |
|
| 16 |
tim |
244 |
begin EAMAtomTypes |
| 17 |
|
|
Au Au.u3.funcfl |
| 18 |
|
|
Ag Ag.u3.funcfl |
| 19 |
|
|
Cu Cu.u3.funcfl |
| 20 |
|
|
Ni Ni.u3.funcfl |
| 21 |
|
|
Pd Pd.u3.funcfl |
| 22 |
|
|
Pt Pt.u3.funcfl |
| 23 |
|
|
end EAMAtomTypes |
