CONQUEST: Large-scale DFT calculations
copied from cf-staging / conquestCONQUEST is a DFT code designed for large-scale calculations, with excellent parallelisation. It gives a consistent, exact diagonalisation approach for systems from 1 to 10,000+ atoms, and brings the possibility of linear scaling calculations on over 1,000,000 atoms. The code has been demonstrated on scaling to nearly 200,000 cores and 2,000,000 atoms.
