Theory behind grain boundary scattering

Dear all,

I am wondering how the MFP scattering is calculated, since it is not included in the original paper “Efficient calculation of carrier scattering rates from
first principles” nor in the SUPPLEMENTARY part.

Many thanks in advance,


Grain boundary scattering is calculated by setting the scattering rate at each band at k-point to the group velocity (at that band and k-point) / mean free path.