Large lattices

Lattices far beyond dense diagonalization: sparse neighbour search, shift-invert eigensolvers, and the kernel polynomial method, which turns spectral densities and conductivities of hundreds of thousands of sites into a few hundred sparse matrix-vector products. In k-space, fine meshes are diagonalized in batches, optionally across threads.

Batched and Threaded k-Space Diagonalization: the Haldane Model on 90,000 k-Points

Batched and Threaded k-Space Diagonalization: the Haldane Model on 90,000 k-Points

The Kernel Polynomial Method: Graphene With Vacancies, 45,000 Sites

The Kernel Polynomial Method: Graphene With Vacancies, 45,000 Sites