Software

NESSi

The Nonequilibrium Systems Simulation package is a C++ library to solve the Kadanoff-Baym equations on the contour. We have implemented highly accurate solvers and a full toolkit of utilities to contruct Feynmann diagrams, solve Dyson equations in imaginary and real time, and spectral functions. A full description of the formalism, the methods and the implementation can be found in our paper

M. Schüler, D. Golež, Y. Murakami, N. Bittner, A. Herrmann, H. U. R. Strand, P. Werner, and M. Eckstein, NESSi: The Non-Equilibrium Systems Simulation package, Comput. Phys. Commun. 257, 107484 (2020)

You can download the code from github. The full documentation is available here.

dynamics-w90

dynamics-w90 is a Fortran code build on output from Wannier90. It can compute the response upon applying time-dependent electric fields, calculate and output various Berry-phase quantities such as the orbital angular moment from modern theory of polarization, construct surface slabs & much more. The code is under active development.

You can download the code from github.