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

We present a module to calculate the mobility and conductivity of semiconducting materials using Rode’s algorithm. This uses variety electronic structure inputs derived from Density Functional Theory (DFT). have demonstrated good agreement with experimental results for case Cadmium Sulfide (CdS). also provide comparison widely used method, so-called relaxation time approximation (RTA) favorable improvement compared RTA. The version is interfaced Vienna ab initio simulation package (VASP). Program title: AMMCR CPC Library link program files: https://doi.org/10.17632/x4yjz735xz.1 Developer’s repository link: https://ikst.res.in/research/download-center Licensing provisions: BSD 3-clause Programming language: C++ Nature problem: Long-range interactions between electrons longitudinal optical (LO) phonons are major challenge in computing transport polar semiconductors. Due such LO or generally (POP), electron phonon scattering requires special attention since they cannot be studied simple framework as (RTA). Solution method: developed code that calculates by Rode algorithm, which treats interaction proper way.