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--- tbeam [2013/11/14 10:22] – created daniel
+++ interactions:tbeam [2018/01/22 17:47] (current) – daniel
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 ====== Two band EAM Potentials ======
 ----
-<wrap round important 510px center>
-//**Warning:**//
-This interaction is currently only available in the git version of potfit.
-</wrap>
 =====  Basic Theory  =====
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 The two band EAM potentials are an extension to the regular EAM potentials. Instead
 of single transfer and embedding functions, different functions to model two bands are used.
+Usually they are reffered to as d- and s-band contributions.
 $$E_\text{total}=\frac{1}{2}\sum_{i<j}^N\Phi_{ij}(r_{ij})+\sum_iF_i^d(n_i^d)+\sum_iF_i^s(n_i^s)$$
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 $\rho^s_0, \ldots, \rho^s_N,$\\
 $F^s_0, \ldots, F^s_N,$
+=====  Special remarks  =====
+Tabulated two band EAM potentials require the embedding function $F_i$ to be defined at a density of $1.0$.
+This is necessary to fix the gauge degrees of freedom.