| 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 |
< |
#AtomTypes |
| 7 |
< |
!Atom mass Potential param filename |
| 6 |
> |
begin BaseAtomTypes |
| 7 |
> |
Au 196.97 |
| 8 |
> |
Ag 107.87 |
| 9 |
> |
Cu 63.550 |
| 10 |
> |
Ni 58.710 |
| 11 |
> |
Pd 106.40 |
| 12 |
> |
Pt 195.09 |
| 13 |
> |
end BaseAtomTypes |
| 14 |
|
|
| 15 |
< |
Au 196.97 Au.u3.funcfl |
| 16 |
< |
Ag 107.87 Ag.u3.funcfl |
| 17 |
< |
Cu 63.550 Cu.u3.funcfl |
| 18 |
< |
Ni 58.710 Ni.u3.funcfl |
| 19 |
< |
Pd 106.40 Pd.u3.funcfl |
| 20 |
< |
Pt 195.09 Pt.u3.funcfl |
| 15 |
> |
begin EAMAtomTypes |
| 16 |
> |
Au Au.u3.funcfl |
| 17 |
> |
Ag Ag.u3.funcfl |
| 18 |
> |
Cu Cu.u3.funcfl |
| 19 |
> |
Ni Ni.u3.funcfl |
| 20 |
> |
Pd Pd.u3.funcfl |
| 21 |
> |
Pt Pt.u3.funcfl |
| 22 |
> |
end EAMAtomTypes |
