Kohn-Sham in periodic BZ with planewaves + pseudopotentials (NCPP, USPP, PAW). LDA, GGA, hybrid (HSE). Workhorse for materials simulation.
Kohn-Sham in periodic BZ with planewaves + pseudopotentials (NCPP, USPP, PAW). LDA, GGA, hybrid (HSE). Workhorse for materials simulation.