cepellotti
cepellotti
Write an interface to use in phoebe the electron-phonon coupling computed by VASP.
E.g. for the el-ph coupling, it would be good to have a class for a N-dimensional tensor, in which one index is distributed over different MPI processes. Given that Eigen::Tensors...
Development of a class for computing the contributions to scattering from defect, to various orders in perturbation theory.
The tetrahedron method requires the knowledge of energies at more k/q points than those that are available from the ActiveBandStructure class. This is because it requires the knowledge of the...
Implementation of an interface to use this code for computing electron-phonon coupling and related quantities.
Once both phonon and electron transport work separately, we could implement the solution of the BTE that couples the two equations.
Once the phonon-defect scattering has been implemented, we could think on how to add electron-defect scattering. For charge-neutral defect, this is probably very similar to the implementation of phonon-defect scattering....
Since we already have a working scattering operator, it could be interesting and relatively easy to add the time evolution of BTE, on either electrons or phonons (or both), neglecting...