The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package
Honghui Shang, Lei Xu, Baodong Wu, Xinming Qin, Yunquan Zhang, Jinlong Yang
Topics & Concepts
ScalabilityComputer scienceMatrix (chemical analysis)Sparse matrixScheme (mathematics)AlgorithmParallel computingComputational scienceDensity matrixMathematicsPhysicsQuantum mechanicsMathematical analysisQuantumMaterials scienceGaussianDatabaseComposite materialPhysics of Superconductivity and MagnetismAdvanced NMR Techniques and ApplicationsAdvanced Condensed Matter Physics