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tbeam [2013/11/14 10:22] – created danielinteractions:tbeam [2018/01/06 11:20] – daniel
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 ====== Two band EAM Potentials ====== ====== 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  ===== =====  Basic Theory  =====
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 The two band EAM potentials are an extension to the regular EAM potentials. Instead 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. 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.
  
 $$E_\text{total}=\frac{1}{2}\sum_{i<j}^N\Phi_{ij}(r_{ij})+\sum_iF_i^d(n_i^d)+\sum_iF_i^s(n_i^s)$$ $$E_\text{total}=\frac{1}{2}\sum_{i<j}^N\Phi_{ij}(r_{ij})+\sum_iF_i^d(n_i^d)+\sum_iF_i^s(n_i^s)$$
interactions/tbeam.txt · Last modified: 2018/01/22 17:47 by daniel