AMMCR: Ab initio model for mobility and conductivity calculation by using Rode Algorithm

This module uses a variety of electronic structure inputs derived from the Density Functional Theory (DFT). We have demonstrated good agreement with experimental results for the case of Cadmium Sulfide (CdS).

We also provide a comparison with the widely used method, the so-called relaxation time approximation (RTA) and demonstrated a favorable improvement of the results compared to RTA. The present version of the module is interfaced with the Vienna ab initio simulation package (VASP).