Documents DFT requirements for leadership-class computers

DFT requirements for leadership-class computers N. Schunck Department of Physics  Astronomy, University of Tennessee, Knoxville, TN-37996, USA Physics Division, Oak Ridge…

Documents DFT requirements for leadership-class computers

DFT requirements for leadership-class computers N. Schunck Department of Physics  Astronomy, University of Tennessee, Knoxville, TN-37996, USA Physics Division, Oak Ridge…

Documents Technology to calculate observables Global properties Spectroscopy DFT Solvers Functional form

Optimization â HFODD Profiling Broyden routine: storage of NBroyden fields on 3D Gauss-Hermite mesh Temporary array allocation for HFB matrix diagonalization neutrons protons…