ELSI: ELectronic Structure Infrastructure is a software bundle and unified interface for methods that solve or circumvent eigenvalue problems in the self-consistent field cycle of density-functional theory.
The solver libraries supported and enhanced in ELSI are:
- ELPA (the Eigenvalue SoLvers for Petaflop-Applications)
- libOMM (the Orbital Minimization Method)
- PEXSI (the Pole EXpansion and Selected Inversion method)
with more solvers coming soon.