| Revision: | 1435 |
| Committed: | Fri Apr 16 17:44:03 2010 UTC (15 years, 1 month 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 |
| # | User | Rev | Content |
|---|---|---|---|
| 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 | gezelter | 1435 | Cu 63.55 |
| 10 | Ni 58.71 | ||
| 11 | tim | 244 | Pd 106.40 |
| 12 | Pt 195.09 | ||
| 13 | gezelter | 1435 | Al 26.98 |
| 14 | gezelter | 1279 | end BaseAtomTypes |
| 15 | gezelter | 2 | |
| 16 | tim | 244 | 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 | gezelter | 1435 | Al Al.VC.funcfl |
| 24 | tim | 244 | end EAMAtomTypes |