| Revision: | 1435 |
| Committed: | Fri Apr 16 17:44:03 2010 UTC (15 years, 2 months ago) by gezelter |
| Original Path: | trunk/forceFields/EAM.VC.frc |
| File size: | 483 byte(s) |
| Log Message: | Added EAM line for Art Voter's aluminum potential |
| # | Content |
|---|---|
| 1 | ! 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 | begin BaseAtomTypes |
| 7 | Au 196.97 |
| 8 | Ag 107.87 |
| 9 | Cu 63.55 |
| 10 | Ni 58.71 |
| 11 | Pd 106.40 |
| 12 | Pt 195.09 |
| 13 | Al 26.98 |
| 14 | end BaseAtomTypes |
| 15 | |
| 16 | begin EAMAtomTypes |
| 17 | Au Au.VC.funcfl |
| 18 | Ag Ag.VC.funcfl |
| 19 | Cu Cu.VC.funcfl |
| 20 | Ni Ni.VC.funcfl |
| 21 | Pd Pd.VC.funcfl |
| 22 | Pt Pt.VC.funcfl |
| 23 | Al Al.VC.funcfl |
| 24 | end EAMAtomTypes |