-Constant pressure simulations are realized by the Berendsen barostat\cite{berendsen84}.
-Structural relaxation in the MD run is achieved by the verlocity verlet algorithm\cite{verlet67} and the Berendsen thermostat\cite{berendsen84} with a time constant of \unit[1]{fs} resulting in direct velocity scaling and the temperature set to zero Kelvin.
+% ref mod: extension for short distances
+The potential was used as is, i.e. without any repulsive potential extension at short interatomic distances.
+% ref mod: time constants
+%Constant pressure simulations are realized by the Berendsen barostat\cite{berendsen84}.
+Constant pressure simulations are realized by the Berendsen barostat\cite{berendsen84} using a time constant of \unit[100]{fs} and a bulk modulus of \unit[100]{GPa} for Si.
+% ref mod: time constants + language (Verlet)
+%Structural relaxation in the MD run is achieved by the velocity Verlet algorithm\cite{verlet67} and the Berendsen thermostat\cite{berendsen84} with a time constant of \unit[1]{fs} resulting in direct velocity scaling and the temperature set to zero Kelvin.
+Structural relaxation in the MD run is achieved by the Velocity Verlet algorithm\cite{verlet67} and the Berendsen thermostat\cite{berendsen84} with a time constant of \unit[100]{fs} and the temperature set to zero Kelvin.
+Additionally, a time constant of \unit[1]{fs} resulting in direct velocity scaling was used for relaxation within the mobility calculations.
+% ref mod: time step
+A fixed time step of \unit[1]{fs} for integrating the equations of motion was used.