benchmarks

Several sets of data that have been used for benchmarks are available in the QEF/benchmarks repository on GitHub. An additional repository, also containing Quantum ESPRESSO data, can be found here. Some more (old-ish) data is reported in the paper documenting Quantum ESPRESSO: J.Phys.:Condens.Matter, 21, 395502 (2009).

Everybody is welcome to contribute more data to the repository.

Last modified June 2022