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--- interactions:eam_elstat [2018/01/06 11:28] – created daniel
+++ interactions:eam_elstat [2021/10/25 18:32] (current) – daniel
@@ Line 14: / Line 14: @@
 E(r_{ij}) \sim \frac{q_{i}q_{j}}{r_{ij}}
 $$
+=====  Number of potential functions  =====
-===== Number of potential functions =====
+To describe a system with $N$ atom types you need $N(N+5)/2$ potentials.
-To describe a system of $N$ atom types you need $N(N+2)$ potentials.
+^ # atom types ^ $\Phi_{ij}$ ^ $\rho_j$ ^ $F_i$ ^ Total # potentials ^
+^ $N$ ^ $N(N+1)/2$ ^ $N$ ^ $N$ ^ $N(N+5)/2$ ^
-^ # atom types ^ $\phi_{ij}$ ^ $f_{ij}$ ^ $g_i$ ^ Total # potentials ^
-^ $N$ ^ $N(N+1)/2$ ^ $N(N+1)/2$ ^ $N$ ^ $N(N+2)$ ^
 | 1 | 1 | 1 | 1 | 3 |
-| 2 | 3 | 3 | 2 | 8 |
+| 2 | 3 | 2 | 2 | 7 |
-| 3 | 6 | 6 | 3 | 15 |
+| 3 | 6 | 3 | 3 | 12 |
-| 4 | 10 | 10 | 4 | 24 |
+| 4 | 10 | 4 | 4 | 18 |
 =====  Order of potential functions  =====
@@ Line 30: / Line 29: @@
 The potential table is assumed to be symmetric, i.e. the potential for the atom types 1-0 is the same as the potential 0-1.
-The order of the potentials in the potential file for $N$ atom types is:
+The order of the EAM potentials in the potential file for //N// atom types is:
-$\phi_{00}, \ldots, \phi_{0N}, \phi_{11}, \ldots, \phi_{1N}, \ldots, \phi_{NN}$\\
+$\Phi_{00}, \ldots, \Phi_{0N}, \Phi_{11}, \ldots, \Phi_{1N}, \ldots, \Phi_{NN},$\\
-$f_{00}, \ldots, f_{0N}, f_{11}, \ldots, f_{1N}, \ldots, f_{NN}$\\
+$\rho_0, \ldots, \rho_N,$\\
-$g_0, \ldots, g_N$
+$F_0, \ldots, F_N,$