Revision: | 1259 |
Committed: | Thu Jun 10 22:15:47 2004 UTC (20 years, 3 months ago) by gezelter |
File size: | 394 byte(s) |
Log Message: | reorg of EAM force fields to have variants |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 1259 | ! 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 | #AtomTypes | ||
7 | !Atom mass Potential param filename | ||
8 | |||
9 | Au 196.97 au.u3.eam | ||
10 | Ag 107.87 ag.u3.eam | ||
11 | Cu 63.550 cu.u3.eam | ||
12 | Ni 58.710 ni.u3.eam | ||
13 | Pd 106.40 pd.u3.eam | ||
14 | Pt 195.09 pt.u3.eam |