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Practical example

Consider a system consistiong of 16 hydrogen and 48 silicon atoms. Suppose that eight silicon atoms are considered as Langevin atoms and remaining 32 Si atoms are either fixed or Newtonian atoms. The Langevin and Newtonian (or fixed) atoms should be considered as different species, i.e. the POSCAR file should contain the line like this:
Si H Si
40 16 8
As only the final eight Si atoms are considered as Langevin atoms, the INCAR file should contain the following line defining the friction coefficients:
 LANGEVIN_GAMMA = 0.0   0.0   10.0
i.e. $ \gamma$ for all non-Langevin atoms should be set to zero.



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