Massively parallel implementation of iterative eigensolvers in large-scale plane-wave density functional theory
Junwei Feng, Lingyun Wan, Jielan Li, Shizhe Jiao, Xinhui Cui, Wei Hu, Jinlong Yang
Topics & Concepts
Massively parallelScale (ratio)Computer scienceComputational scienceIterative methodParallel computingPlane (geometry)PhysicsAlgorithmMathematicsGeometryQuantum mechanicsAdvanced Chemical Physics StudiesMagnetism in coordination complexesMagnetic properties of thin films