A paper that reported the ~100 million- and ~50 million-atoms DC-NCC-DFTB and DC-SCC-DFTB calculations using the supercomputer “Fugaku” was published in Chem. Lett.
“Quantum chemical calculations for up to one hundred million atoms using DCDFTBMD code on supercomputer Fugaku”
Y. Nishimura, H. Nakai, Chem. Lett., , in press (2021).