FEFF

OCEAN is a versatile and user-friendly package for calculating core edge spectroscopy including excitonic effects. This is a first-principles code based on both ground-state density-functional theory and the Bethe-Salpeter equation (BSE). OCEAN utilizes the programs ABINIT or QuantumESPRESSO for ground-state density-functional theory (DFT) calculations, and the program NBSE to solve the Bethe-Salpeter equation. OCEAN serves as a driver for both ABINIT and NBSE, starting from a single input file, and also constructs various physical quantities and arrays needed in the calculations. OCEAN is the result of collaboration between the Rehr group at University of Washington and Eric Shirley at NIST.

Also known as: FEFF Project