Dynamical mean-field theory (DMFT) self-consistency iterations involve high computational effort which results in high costs. Pulay's direct inversion of the iterative subspace (DIIS) method is one of the most widely used mixing schemes for accelerating the self-consistent solution of electronic structure problems. Goal of this project was to implement DIIS in the DMFT self-consistency cycle of w2dynamics and to benchmark the results by the rate of convergence.
latex inspired by https://github.com/joerg/abschlussarbeit-tuwien-physik